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 : amide:sc= -8.4! C(o=-15!,f=-20!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -6.37! C(o=-15!,f=-21!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.365 USER MOD Set 2.2: A 37 MET CE :methyl 166:sc= -4.22 (180deg=-5.15!) USER MOD Set 3.1: A 1 MET CE :methyl 167:sc= -0.702 (180deg=-0.57) USER MOD Set 3.2: A 3 LYS NZ :NH3+ 179:sc= -0.167 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -5.2! (180deg=-8.98!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 12 HIS : no HD1:sc= -0.814 K(o=-0.81,f=0.12) 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= -1.43 K(o=-1.4,f=-1.9) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 84:sc= 0.728 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= -3.82! C(o=-3.8!,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -0.634 K(o=-0.63,f=-1.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0105 (180deg=-0.143) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 60 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 65 MET CE :methyl -174:sc= -4.59! (180deg=-4.85) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 85 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.492 1.635 -5.533 1.00 0.00 N ATOM 2 CA MET A 1 -10.525 0.528 -5.333 1.00 0.00 C ATOM 3 C MET A 1 -9.370 0.948 -4.433 1.00 0.00 C ATOM 4 O MET A 1 -8.965 2.108 -4.427 1.00 0.00 O ATOM 5 CB MET A 1 -10.008 0.110 -6.708 1.00 0.00 C ATOM 6 CG MET A 1 -8.883 -0.901 -6.690 1.00 0.00 C ATOM 7 SD MET A 1 -7.917 -0.876 -8.212 1.00 0.00 S ATOM 8 CE MET A 1 -7.035 0.672 -8.028 1.00 0.00 C ATOM 0 H1 MET A 1 -11.851 1.610 -6.509 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.285 1.527 -4.869 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.018 2.545 -5.362 1.00 0.00 H new ATOM 0 HA MET A 1 -11.021 -0.307 -4.838 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.838 -0.303 -7.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.667 1.000 -7.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.228 -0.697 -5.843 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.296 -1.899 -6.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.232 0.723 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.723 1.503 -8.183 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.612 0.733 -7.025 1.00 0.00 H new ATOM 20 N PHE A 2 -8.830 -0.005 -3.680 1.00 0.00 N ATOM 21 CA PHE A 2 -7.715 0.280 -2.792 1.00 0.00 C ATOM 22 C PHE A 2 -6.407 0.247 -3.569 1.00 0.00 C ATOM 23 O PHE A 2 -6.236 -0.560 -4.482 1.00 0.00 O ATOM 24 CB PHE A 2 -7.664 -0.722 -1.637 1.00 0.00 C ATOM 25 CG PHE A 2 -8.828 -0.619 -0.693 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.978 -1.360 -0.909 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.769 0.213 0.412 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.048 -1.272 -0.040 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.836 0.306 1.285 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.977 -0.438 1.059 1.00 0.00 C ATOM 0 H PHE A 2 -9.146 -0.975 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 2 -7.859 1.276 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.628 -1.732 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.740 -0.571 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.039 -2.014 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.878 0.796 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.939 -1.855 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.778 0.960 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.812 -0.368 1.740 1.00 0.00 H new ATOM 40 N LYS A 3 -5.494 1.133 -3.208 1.00 0.00 N ATOM 41 CA LYS A 3 -4.210 1.207 -3.878 1.00 0.00 C ATOM 42 C LYS A 3 -3.081 0.893 -2.912 1.00 0.00 C ATOM 43 O LYS A 3 -2.935 1.548 -1.884 1.00 0.00 O ATOM 44 CB LYS A 3 -4.007 2.599 -4.476 1.00 0.00 C ATOM 45 CG LYS A 3 -4.680 2.788 -5.825 1.00 0.00 C ATOM 46 CD LYS A 3 -6.101 3.309 -5.670 1.00 0.00 C ATOM 47 CE LYS A 3 -6.385 4.455 -6.629 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.121 3.997 -7.839 1.00 0.00 N ATOM 0 H LYS A 3 -5.619 1.810 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.200 0.467 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.393 3.344 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.939 2.786 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.099 3.486 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.695 1.839 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.808 2.499 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.256 3.645 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.968 5.220 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.445 4.918 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.310 4.810 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.546 3.298 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.022 3.563 -7.554 1.00 0.00 H new ATOM 62 N VAL A 4 -2.282 -0.114 -3.239 1.00 0.00 N ATOM 63 CA VAL A 4 -1.173 -0.481 -2.374 1.00 0.00 C ATOM 64 C VAL A 4 0.169 -0.159 -3.013 1.00 0.00 C ATOM 65 O VAL A 4 0.445 -0.535 -4.153 1.00 0.00 O ATOM 66 CB VAL A 4 -1.204 -1.971 -1.975 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.170 -2.436 -1.517 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.217 -2.207 -0.874 1.00 0.00 C ATOM 0 H VAL A 4 -2.379 -0.681 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.292 0.118 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.495 -2.547 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.124 -3.489 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.887 -2.304 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.484 -1.848 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.224 -3.264 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.949 -1.613 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.208 -1.914 -1.222 1.00 0.00 H new ATOM 78 N TYR A 5 1.007 0.521 -2.244 1.00 0.00 N ATOM 79 CA TYR A 5 2.340 0.891 -2.684 1.00 0.00 C ATOM 80 C TYR A 5 3.378 0.119 -1.879 1.00 0.00 C ATOM 81 O TYR A 5 3.655 0.454 -0.729 1.00 0.00 O ATOM 82 CB TYR A 5 2.557 2.396 -2.503 1.00 0.00 C ATOM 83 CG TYR A 5 1.692 3.257 -3.395 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.310 2.823 -4.658 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.271 4.514 -2.979 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.536 3.617 -5.481 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.494 5.312 -3.796 1.00 0.00 C ATOM 88 CZ TYR A 5 0.130 4.859 -5.045 1.00 0.00 C ATOM 89 OH TYR A 5 -0.642 5.653 -5.863 1.00 0.00 O ATOM 0 H TYR A 5 0.780 0.830 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 5 2.446 0.645 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.361 2.658 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.604 2.627 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.624 1.848 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.556 4.873 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.250 3.266 -6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.173 6.286 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.843 6.496 -5.405 1.00 0.00 H new ATOM 99 N GLY A 6 3.935 -0.925 -2.478 1.00 0.00 N ATOM 100 CA GLY A 6 4.921 -1.723 -1.783 1.00 0.00 C ATOM 101 C GLY A 6 5.719 -2.607 -2.717 1.00 0.00 C ATOM 102 O GLY A 6 6.109 -2.185 -3.806 1.00 0.00 O ATOM 0 H GLY A 6 3.722 -1.231 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.601 -1.064 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.422 -2.344 -1.039 1.00 0.00 H new ATOM 106 N TYR A 7 5.972 -3.832 -2.280 1.00 0.00 N ATOM 107 CA TYR A 7 6.735 -4.781 -3.060 1.00 0.00 C ATOM 108 C TYR A 7 5.943 -6.061 -3.302 1.00 0.00 C ATOM 109 O TYR A 7 4.987 -6.354 -2.584 1.00 0.00 O ATOM 110 CB TYR A 7 8.031 -5.085 -2.327 1.00 0.00 C ATOM 111 CG TYR A 7 8.883 -3.858 -2.123 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.591 -3.302 -3.178 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.965 -3.242 -0.880 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.359 -2.171 -3.002 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.731 -2.107 -0.697 1.00 0.00 C ATOM 116 CZ TYR A 7 10.427 -1.576 -1.761 1.00 0.00 C ATOM 117 OH TYR A 7 11.192 -0.446 -1.584 1.00 0.00 O ATOM 0 H TYR A 7 5.654 -4.190 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 7 6.955 -4.348 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.801 -5.528 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.597 -5.827 -2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.540 -3.763 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.421 -3.657 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.906 -1.753 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.784 -1.639 0.275 1.00 0.00 H new ATOM 0 HH TYR A 7 11.131 -0.152 -0.651 1.00 0.00 H new ATOM 127 N ASP A 8 6.335 -6.816 -4.321 1.00 0.00 N ATOM 128 CA ASP A 8 5.648 -8.060 -4.656 1.00 0.00 C ATOM 129 C ASP A 8 6.494 -9.275 -4.289 1.00 0.00 C ATOM 130 O ASP A 8 6.127 -10.052 -3.408 1.00 0.00 O ATOM 131 CB ASP A 8 5.289 -8.097 -6.148 1.00 0.00 C ATOM 132 CG ASP A 8 6.348 -7.461 -7.029 1.00 0.00 C ATOM 133 OD1 ASP A 8 6.685 -6.280 -6.800 1.00 0.00 O ATOM 134 OD2 ASP A 8 6.842 -8.145 -7.951 1.00 0.00 O ATOM 0 H ASP A 8 7.122 -6.591 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 8 4.728 -8.096 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.143 -9.133 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.340 -7.582 -6.301 1.00 0.00 H new ATOM 139 N SER A 9 7.627 -9.435 -4.968 1.00 0.00 N ATOM 140 CA SER A 9 8.525 -10.560 -4.716 1.00 0.00 C ATOM 141 C SER A 9 9.591 -10.656 -5.803 1.00 0.00 C ATOM 142 O SER A 9 10.720 -11.073 -5.546 1.00 0.00 O ATOM 143 CB SER A 9 7.740 -11.875 -4.641 1.00 0.00 C ATOM 144 OG SER A 9 8.590 -12.993 -4.831 1.00 0.00 O ATOM 0 H SER A 9 7.946 -8.799 -5.699 1.00 0.00 H new ATOM 0 HA SER A 9 9.015 -10.387 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.246 -11.951 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.957 -11.878 -5.399 1.00 0.00 H new ATOM 0 HG SER A 9 8.063 -13.818 -4.777 1.00 0.00 H new ATOM 150 N ASN A 10 9.220 -10.271 -7.021 1.00 0.00 N ATOM 151 CA ASN A 10 10.138 -10.315 -8.154 1.00 0.00 C ATOM 152 C ASN A 10 11.292 -9.335 -7.965 1.00 0.00 C ATOM 153 O ASN A 10 12.456 -9.687 -8.162 1.00 0.00 O ATOM 154 CB ASN A 10 9.390 -9.996 -9.450 1.00 0.00 C ATOM 155 CG ASN A 10 10.147 -10.445 -10.684 1.00 0.00 C ATOM 156 OD1 ASN A 10 11.295 -10.882 -10.597 1.00 0.00 O ATOM 157 ND2 ASN A 10 9.505 -10.339 -11.841 1.00 0.00 N ATOM 0 H ASN A 10 8.288 -9.924 -7.248 1.00 0.00 H new ATOM 0 HA ASN A 10 10.551 -11.322 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.414 -10.480 -9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.212 -8.922 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.963 -10.626 -12.706 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.554 -9.971 -11.865 1.00 0.00 H new ATOM 164 N ILE A 11 10.964 -8.106 -7.581 1.00 0.00 N ATOM 165 CA ILE A 11 11.975 -7.077 -7.363 1.00 0.00 C ATOM 166 C ILE A 11 12.438 -7.068 -5.913 1.00 0.00 C ATOM 167 O ILE A 11 13.633 -6.981 -5.629 1.00 0.00 O ATOM 168 CB ILE A 11 11.445 -5.672 -7.706 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.763 -5.661 -9.074 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.582 -4.663 -7.670 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.312 -6.087 -9.034 1.00 0.00 C ATOM 0 H ILE A 11 10.006 -7.798 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 11 12.808 -7.319 -8.023 1.00 0.00 H new ATOM 0 HB ILE A 11 10.701 -5.394 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.826 -4.657 -9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.308 -6.323 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.197 -3.673 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.022 -4.646 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.343 -4.946 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.895 -6.054 -10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.242 -7.103 -8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.752 -5.411 -8.387 1.00 0.00 H new ATOM 183 N HIS A 12 11.478 -7.145 -4.998 1.00 0.00 N ATOM 184 CA HIS A 12 11.774 -7.132 -3.578 1.00 0.00 C ATOM 185 C HIS A 12 10.829 -8.065 -2.830 1.00 0.00 C ATOM 186 O HIS A 12 9.732 -8.358 -3.301 1.00 0.00 O ATOM 187 CB HIS A 12 11.644 -5.709 -3.039 1.00 0.00 C ATOM 188 CG HIS A 12 12.390 -5.466 -1.767 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.722 -5.759 -1.593 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.968 -4.931 -0.596 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.061 -5.405 -0.345 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.031 -4.896 0.301 1.00 0.00 N ATOM 0 H HIS A 12 10.485 -7.217 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 12 12.795 -7.481 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.002 -5.011 -3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.589 -5.489 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.965 -4.586 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.049 -5.522 0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.016 -4.548 1.260 1.00 0.00 H new ATOM 200 N LYS A 13 11.261 -8.534 -1.667 1.00 0.00 N ATOM 201 CA LYS A 13 10.442 -9.438 -0.863 1.00 0.00 C ATOM 202 C LYS A 13 9.398 -8.669 -0.055 1.00 0.00 C ATOM 203 O LYS A 13 9.426 -7.440 0.005 1.00 0.00 O ATOM 204 CB LYS A 13 11.325 -10.275 0.070 1.00 0.00 C ATOM 205 CG LYS A 13 11.915 -9.493 1.235 1.00 0.00 C ATOM 206 CD LYS A 13 12.632 -10.413 2.211 1.00 0.00 C ATOM 207 CE LYS A 13 12.553 -9.894 3.639 1.00 0.00 C ATOM 208 NZ LYS A 13 13.883 -9.449 4.144 1.00 0.00 N ATOM 0 H LYS A 13 12.168 -8.307 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 13 9.916 -10.107 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.736 -11.103 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.138 -10.710 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.612 -8.745 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.121 -8.956 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.192 -11.409 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.677 -10.511 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.851 -9.062 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.162 -10.677 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.786 -9.103 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.547 -10.249 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.246 -8.684 3.540 1.00 0.00 H new ATOM 222 N CYS A 14 8.484 -9.407 0.571 1.00 0.00 N ATOM 223 CA CYS A 14 7.433 -8.803 1.385 1.00 0.00 C ATOM 224 C CYS A 14 6.534 -9.873 1.998 1.00 0.00 C ATOM 225 O CYS A 14 5.843 -10.601 1.287 1.00 0.00 O ATOM 226 CB CYS A 14 6.593 -7.829 0.554 1.00 0.00 C ATOM 227 SG CYS A 14 5.763 -8.586 -0.882 1.00 0.00 S ATOM 0 H CYS A 14 8.450 -10.426 0.530 1.00 0.00 H new ATOM 0 HA CYS A 14 7.915 -8.250 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.838 -7.378 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.236 -7.022 0.203 1.00 0.00 H new ATOM 232 N VAL A 15 6.553 -9.966 3.323 1.00 0.00 N ATOM 233 CA VAL A 15 5.740 -10.949 4.036 1.00 0.00 C ATOM 234 C VAL A 15 4.376 -10.376 4.406 1.00 0.00 C ATOM 235 O VAL A 15 3.369 -11.083 4.385 1.00 0.00 O ATOM 236 CB VAL A 15 6.441 -11.432 5.321 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.603 -12.353 4.986 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.913 -10.249 6.153 1.00 0.00 C ATOM 0 H VAL A 15 7.122 -9.373 3.927 1.00 0.00 H new ATOM 0 HA VAL A 15 5.606 -11.793 3.360 1.00 0.00 H new ATOM 0 HB VAL A 15 5.719 -11.997 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.084 -12.682 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.234 -13.221 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.326 -11.817 4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.405 -10.612 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.616 -9.653 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.057 -9.634 6.429 1.00 0.00 H new ATOM 248 N TYR A 16 4.353 -9.093 4.758 1.00 0.00 N ATOM 249 CA TYR A 16 3.113 -8.429 5.148 1.00 0.00 C ATOM 250 C TYR A 16 2.288 -8.016 3.931 1.00 0.00 C ATOM 251 O TYR A 16 1.103 -7.704 4.056 1.00 0.00 O ATOM 252 CB TYR A 16 3.416 -7.207 6.018 1.00 0.00 C ATOM 253 CG TYR A 16 3.401 -7.509 7.499 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.206 -7.529 8.210 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.577 -7.783 8.185 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.187 -7.812 9.563 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.565 -8.069 9.537 1.00 0.00 C ATOM 258 CZ TYR A 16 3.368 -8.082 10.221 1.00 0.00 C ATOM 259 OH TYR A 16 3.352 -8.365 11.567 1.00 0.00 O ATOM 0 H TYR A 16 5.178 -8.493 4.781 1.00 0.00 H new ATOM 0 HA TYR A 16 2.524 -9.142 5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.393 -6.809 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.684 -6.428 5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.279 -7.320 7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.517 -7.772 7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.251 -7.822 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.489 -8.281 10.055 1.00 0.00 H new ATOM 0 HH TYR A 16 4.266 -8.533 11.877 1.00 0.00 H new ATOM 269 N CYS A 17 2.911 -8.011 2.755 1.00 0.00 N ATOM 270 CA CYS A 17 2.214 -7.635 1.532 1.00 0.00 C ATOM 271 C CYS A 17 1.131 -8.656 1.195 1.00 0.00 C ATOM 272 O CYS A 17 0.020 -8.295 0.806 1.00 0.00 O ATOM 273 CB CYS A 17 3.202 -7.506 0.366 1.00 0.00 C ATOM 274 SG CYS A 17 3.921 -9.087 -0.188 1.00 0.00 S ATOM 0 H CYS A 17 3.891 -8.262 2.625 1.00 0.00 H new ATOM 0 HA CYS A 17 1.740 -6.667 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.693 -7.037 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.010 -6.837 0.662 1.00 0.00 H new ATOM 279 N ASP A 18 1.465 -9.933 1.351 1.00 0.00 N ATOM 280 CA ASP A 18 0.530 -11.017 1.063 1.00 0.00 C ATOM 281 C ASP A 18 -0.570 -11.099 2.118 1.00 0.00 C ATOM 282 O ASP A 18 -1.740 -11.312 1.797 1.00 0.00 O ATOM 283 CB ASP A 18 1.281 -12.351 0.995 1.00 0.00 C ATOM 284 CG ASP A 18 0.979 -13.118 -0.277 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.530 -12.750 -1.336 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.191 -14.084 -0.216 1.00 0.00 O ATOM 0 H ASP A 18 2.380 -10.244 1.677 1.00 0.00 H new ATOM 0 HA ASP A 18 0.063 -10.810 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.353 -12.165 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.012 -12.961 1.857 1.00 0.00 H new ATOM 291 N ASN A 19 -0.185 -10.942 3.381 1.00 0.00 N ATOM 292 CA ASN A 19 -1.133 -11.013 4.488 1.00 0.00 C ATOM 293 C ASN A 19 -2.262 -10.002 4.322 1.00 0.00 C ATOM 294 O ASN A 19 -3.437 -10.337 4.484 1.00 0.00 O ATOM 295 CB ASN A 19 -0.414 -10.779 5.820 1.00 0.00 C ATOM 296 CG ASN A 19 0.870 -11.578 5.936 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.056 -12.581 5.245 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.763 -11.138 6.815 1.00 0.00 N ATOM 0 H ASN A 19 0.779 -10.764 3.664 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.570 -12.011 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.188 -9.718 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.080 -11.047 6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.645 -11.636 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.567 -10.303 7.366 1.00 0.00 H new ATOM 305 N ALA A 20 -1.904 -8.759 4.021 1.00 0.00 N ATOM 306 CA ALA A 20 -2.900 -7.711 3.848 1.00 0.00 C ATOM 307 C ALA A 20 -3.824 -8.019 2.675 1.00 0.00 C ATOM 308 O ALA A 20 -5.045 -7.929 2.799 1.00 0.00 O ATOM 309 CB ALA A 20 -2.236 -6.354 3.671 1.00 0.00 C ATOM 0 H ALA A 20 -0.939 -8.455 3.893 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.507 -7.676 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.001 -5.588 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.636 -6.125 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.594 -6.375 2.790 1.00 0.00 H new ATOM 315 N LYS A 21 -3.241 -8.398 1.543 1.00 0.00 N ATOM 316 CA LYS A 21 -4.025 -8.730 0.357 1.00 0.00 C ATOM 317 C LYS A 21 -5.140 -9.711 0.714 1.00 0.00 C ATOM 318 O LYS A 21 -6.218 -9.689 0.118 1.00 0.00 O ATOM 319 CB LYS A 21 -3.121 -9.330 -0.723 1.00 0.00 C ATOM 320 CG LYS A 21 -3.864 -9.759 -1.980 1.00 0.00 C ATOM 321 CD LYS A 21 -3.214 -10.973 -2.626 1.00 0.00 C ATOM 322 CE LYS A 21 -4.187 -11.710 -3.533 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.041 -13.188 -3.421 1.00 0.00 N ATOM 0 H LYS A 21 -2.232 -8.483 1.421 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.476 -7.816 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.360 -8.598 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.600 -10.193 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.900 -9.989 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.883 -8.934 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.345 -10.658 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.854 -11.650 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.208 -11.426 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.021 -11.406 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.722 -13.653 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.075 -13.463 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.225 -13.482 -2.440 1.00 0.00 H new ATOM 337 N ARG A 22 -4.873 -10.564 1.701 1.00 0.00 N ATOM 338 CA ARG A 22 -5.855 -11.546 2.149 1.00 0.00 C ATOM 339 C ARG A 22 -6.949 -10.863 2.963 1.00 0.00 C ATOM 340 O ARG A 22 -8.114 -11.253 2.908 1.00 0.00 O ATOM 341 CB ARG A 22 -5.179 -12.633 2.989 1.00 0.00 C ATOM 342 CG ARG A 22 -6.145 -13.682 3.514 1.00 0.00 C ATOM 343 CD ARG A 22 -5.417 -14.792 4.256 1.00 0.00 C ATOM 344 NE ARG A 22 -5.280 -14.499 5.681 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.012 -15.420 6.604 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.853 -16.691 6.257 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.903 -15.069 7.879 1.00 0.00 N ATOM 0 H ARG A 22 -3.986 -10.594 2.204 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.304 -12.011 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.415 -13.124 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.670 -12.166 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.867 -13.211 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.708 -14.107 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.959 -15.729 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.429 -14.933 3.818 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.396 -13.533 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.936 -16.967 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.648 -17.392 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.025 -14.094 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.698 -15.775 8.586 1.00 0.00 H new ATOM 361 N LEU A 23 -6.560 -9.835 3.712 1.00 0.00 N ATOM 362 CA LEU A 23 -7.501 -9.082 4.536 1.00 0.00 C ATOM 363 C LEU A 23 -8.647 -8.554 3.680 1.00 0.00 C ATOM 364 O LEU A 23 -9.820 -8.761 3.993 1.00 0.00 O ATOM 365 CB LEU A 23 -6.776 -7.914 5.217 1.00 0.00 C ATOM 366 CG LEU A 23 -7.455 -7.334 6.466 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.924 -5.938 6.752 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.966 -7.296 6.307 1.00 0.00 C ATOM 0 H LEU A 23 -5.597 -9.504 3.765 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.910 -9.744 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.775 -8.246 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.656 -7.113 4.488 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.221 -7.986 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.413 -5.537 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.848 -5.985 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.130 -5.289 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.416 -6.880 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.226 -6.673 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.341 -8.307 6.147 1.00 0.00 H new ATOM 380 N LEU A 24 -8.294 -7.880 2.592 1.00 0.00 N ATOM 381 CA LEU A 24 -9.284 -7.323 1.678 1.00 0.00 C ATOM 382 C LEU A 24 -10.178 -8.419 1.114 1.00 0.00 C ATOM 383 O LEU A 24 -11.403 -8.346 1.208 1.00 0.00 O ATOM 384 CB LEU A 24 -8.590 -6.582 0.535 1.00 0.00 C ATOM 385 CG LEU A 24 -8.028 -5.207 0.902 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.576 -5.089 0.472 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.858 -4.106 0.264 1.00 0.00 C ATOM 0 H LEU A 24 -7.326 -7.706 2.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.904 -6.622 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.776 -7.203 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.300 -6.461 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.077 -5.096 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.195 -4.104 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.985 -5.856 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.504 -5.222 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.444 -3.135 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.839 -4.218 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.887 -4.174 0.618 1.00 0.00 H new ATOM 399 N THR A 25 -9.554 -9.438 0.529 1.00 0.00 N ATOM 400 CA THR A 25 -10.292 -10.557 -0.050 1.00 0.00 C ATOM 401 C THR A 25 -11.326 -11.090 0.937 1.00 0.00 C ATOM 402 O THR A 25 -12.422 -11.494 0.551 1.00 0.00 O ATOM 403 CB THR A 25 -9.330 -11.676 -0.454 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.279 -11.168 -1.256 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.001 -12.791 -1.227 1.00 0.00 C ATOM 0 H THR A 25 -8.540 -9.512 0.443 1.00 0.00 H new ATOM 0 HA THR A 25 -10.812 -10.199 -0.938 1.00 0.00 H new ATOM 0 HB THR A 25 -8.950 -12.083 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.578 -10.797 -0.680 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.263 -13.552 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.785 -13.237 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.438 -12.388 -2.141 1.00 0.00 H new ATOM 413 N VAL A 26 -10.966 -11.075 2.216 1.00 0.00 N ATOM 414 CA VAL A 26 -11.854 -11.545 3.271 1.00 0.00 C ATOM 415 C VAL A 26 -13.037 -10.597 3.446 1.00 0.00 C ATOM 416 O VAL A 26 -14.128 -11.013 3.836 1.00 0.00 O ATOM 417 CB VAL A 26 -11.101 -11.674 4.612 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.032 -12.148 5.717 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.913 -12.614 4.467 1.00 0.00 C ATOM 0 H VAL A 26 -10.061 -10.741 2.547 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.222 -12.527 2.975 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.728 -10.688 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.476 -12.230 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.844 -11.432 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.444 -13.122 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.393 -12.693 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.264 -13.600 4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.229 -12.223 3.713 1.00 0.00 H new ATOM 429 N LYS A 27 -12.809 -9.320 3.153 1.00 0.00 N ATOM 430 CA LYS A 27 -13.853 -8.308 3.276 1.00 0.00 C ATOM 431 C LYS A 27 -14.626 -8.145 1.969 1.00 0.00 C ATOM 432 O LYS A 27 -15.719 -7.578 1.954 1.00 0.00 O ATOM 433 CB LYS A 27 -13.237 -6.969 3.689 1.00 0.00 C ATOM 434 CG LYS A 27 -13.303 -6.703 5.183 1.00 0.00 C ATOM 435 CD LYS A 27 -14.465 -5.789 5.537 1.00 0.00 C ATOM 436 CE LYS A 27 -15.099 -6.181 6.861 1.00 0.00 C ATOM 437 NZ LYS A 27 -16.574 -5.984 6.850 1.00 0.00 N ATOM 0 H LYS A 27 -11.911 -8.962 2.829 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.553 -8.638 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.195 -6.944 3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.751 -6.165 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.406 -7.647 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.369 -6.250 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.115 -4.758 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.215 -5.830 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.874 -7.226 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.660 -5.588 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.968 -6.263 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.789 -4.983 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.997 -6.569 6.101 1.00 0.00 H new ATOM 451 N LYS A 28 -14.055 -8.640 0.871 1.00 0.00 N ATOM 452 CA LYS A 28 -14.694 -8.540 -0.439 1.00 0.00 C ATOM 453 C LYS A 28 -14.657 -7.103 -0.948 1.00 0.00 C ATOM 454 O LYS A 28 -15.695 -6.459 -1.105 1.00 0.00 O ATOM 455 CB LYS A 28 -16.142 -9.038 -0.374 1.00 0.00 C ATOM 456 CG LYS A 28 -16.690 -9.489 -1.718 1.00 0.00 C ATOM 457 CD LYS A 28 -17.242 -10.905 -1.651 1.00 0.00 C ATOM 458 CE LYS A 28 -16.126 -11.935 -1.584 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.619 -13.309 -1.875 1.00 0.00 N ATOM 0 H LYS A 28 -13.152 -9.114 0.864 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.139 -9.170 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.201 -9.868 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.774 -8.242 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.477 -8.806 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.901 -9.441 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.884 -11.005 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.863 -11.096 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.345 -11.671 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.672 -11.915 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.827 -13.981 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.346 -13.572 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.029 -13.336 -2.830 1.00 0.00 H new ATOM 473 N GLN A 29 -13.452 -6.606 -1.202 1.00 0.00 N ATOM 474 CA GLN A 29 -13.273 -5.244 -1.689 1.00 0.00 C ATOM 475 C GLN A 29 -12.351 -5.216 -2.906 1.00 0.00 C ATOM 476 O GLN A 29 -11.372 -5.960 -2.967 1.00 0.00 O ATOM 477 CB GLN A 29 -12.696 -4.364 -0.577 1.00 0.00 C ATOM 478 CG GLN A 29 -13.748 -3.577 0.191 1.00 0.00 C ATOM 479 CD GLN A 29 -14.438 -2.530 -0.662 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.024 -1.372 -0.701 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.502 -2.931 -1.349 1.00 0.00 N ATOM 0 H GLN A 29 -12.584 -7.127 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.247 -4.856 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.144 -4.993 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.980 -3.667 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.494 -4.266 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.279 -3.091 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.812 -3.901 -1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.009 -2.269 -1.937 1.00 0.00 H new ATOM 490 N PRO A 30 -12.644 -4.349 -3.892 1.00 0.00 N ATOM 491 CA PRO A 30 -11.825 -4.228 -5.100 1.00 0.00 C ATOM 492 C PRO A 30 -10.532 -3.474 -4.828 1.00 0.00 C ATOM 493 O PRO A 30 -10.551 -2.381 -4.261 1.00 0.00 O ATOM 494 CB PRO A 30 -12.719 -3.428 -6.043 1.00 0.00 C ATOM 495 CG PRO A 30 -13.529 -2.573 -5.135 1.00 0.00 C ATOM 496 CD PRO A 30 -13.785 -3.409 -3.907 1.00 0.00 C ATOM 0 HA PRO A 30 -11.520 -5.196 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.131 -2.827 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.351 -4.082 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.996 -1.657 -4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.465 -2.276 -5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.816 -2.799 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.738 -3.934 -3.969 1.00 0.00 H new ATOM 504 N PHE A 31 -9.410 -4.058 -5.224 1.00 0.00 N ATOM 505 CA PHE A 31 -8.120 -3.426 -5.004 1.00 0.00 C ATOM 506 C PHE A 31 -7.052 -3.966 -5.948 1.00 0.00 C ATOM 507 O PHE A 31 -7.254 -4.983 -6.613 1.00 0.00 O ATOM 508 CB PHE A 31 -7.693 -3.610 -3.562 1.00 0.00 C ATOM 509 CG PHE A 31 -7.189 -4.986 -3.281 1.00 0.00 C ATOM 510 CD1 PHE A 31 -5.884 -5.323 -3.569 1.00 0.00 C ATOM 511 CD2 PHE A 31 -8.031 -5.948 -2.757 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.420 -6.599 -3.339 1.00 0.00 C ATOM 513 CE2 PHE A 31 -7.577 -7.226 -2.519 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.267 -7.555 -2.811 1.00 0.00 C ATOM 0 H PHE A 31 -9.368 -4.961 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.231 -2.362 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.914 -2.886 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.538 -3.396 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.218 -4.578 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.056 -5.695 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.396 -6.852 -3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.243 -7.969 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.906 -8.556 -2.627 1.00 0.00 H new ATOM 524 N GLU A 32 -5.912 -3.279 -5.999 1.00 0.00 N ATOM 525 CA GLU A 32 -4.814 -3.697 -6.862 1.00 0.00 C ATOM 526 C GLU A 32 -3.464 -3.297 -6.276 1.00 0.00 C ATOM 527 O GLU A 32 -3.337 -2.263 -5.617 1.00 0.00 O ATOM 528 CB GLU A 32 -4.975 -3.100 -8.262 1.00 0.00 C ATOM 529 CG GLU A 32 -5.301 -4.131 -9.329 1.00 0.00 C ATOM 530 CD GLU A 32 -6.787 -4.222 -9.621 1.00 0.00 C ATOM 531 OE1 GLU A 32 -7.584 -3.716 -8.803 1.00 0.00 O ATOM 532 OE2 GLU A 32 -7.153 -4.798 -10.666 1.00 0.00 O ATOM 0 H GLU A 32 -5.727 -2.436 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.845 -4.784 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.766 -2.350 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.055 -2.584 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.769 -3.879 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.938 -5.107 -9.008 1.00 0.00 H new ATOM 539 N PHE A 33 -2.458 -4.128 -6.529 1.00 0.00 N ATOM 540 CA PHE A 33 -1.111 -3.882 -6.043 1.00 0.00 C ATOM 541 C PHE A 33 -0.312 -3.057 -7.043 1.00 0.00 C ATOM 542 O PHE A 33 -0.608 -3.049 -8.237 1.00 0.00 O ATOM 543 CB PHE A 33 -0.404 -5.214 -5.792 1.00 0.00 C ATOM 544 CG PHE A 33 0.675 -5.125 -4.762 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.354 -5.041 -3.421 1.00 0.00 C ATOM 546 CD2 PHE A 33 2.007 -5.117 -5.134 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.345 -4.951 -2.464 1.00 0.00 C ATOM 548 CE2 PHE A 33 3.003 -5.024 -4.183 1.00 0.00 C ATOM 549 CZ PHE A 33 2.671 -4.941 -2.844 1.00 0.00 C ATOM 0 H PHE A 33 -2.555 -4.985 -7.074 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.179 -3.320 -5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.139 -5.954 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.025 -5.572 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.683 -5.046 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.271 -5.184 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.082 -4.888 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.040 -5.016 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.448 -4.868 -2.097 1.00 0.00 H new ATOM 559 N ILE A 34 0.710 -2.370 -6.544 1.00 0.00 N ATOM 560 CA ILE A 34 1.569 -1.547 -7.386 1.00 0.00 C ATOM 561 C ILE A 34 2.998 -1.571 -6.869 1.00 0.00 C ATOM 562 O ILE A 34 3.270 -1.179 -5.734 1.00 0.00 O ATOM 563 CB ILE A 34 1.091 -0.087 -7.447 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.423 -0.025 -7.645 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.809 0.659 -8.561 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.009 1.350 -7.419 1.00 0.00 C ATOM 0 H ILE A 34 0.964 -2.367 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 34 1.523 -1.969 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 34 1.330 0.395 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.662 -0.350 -8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.899 -0.730 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.460 1.691 -8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.883 0.645 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.599 0.177 -9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.087 1.317 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.802 1.670 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.561 2.056 -8.119 1.00 0.00 H new ATOM 578 N ASN A 35 3.899 -2.036 -7.712 1.00 0.00 N ATOM 579 CA ASN A 35 5.310 -2.124 -7.359 1.00 0.00 C ATOM 580 C ASN A 35 5.957 -0.745 -7.380 1.00 0.00 C ATOM 581 O ASN A 35 6.144 -0.154 -8.442 1.00 0.00 O ATOM 582 CB ASN A 35 6.042 -3.060 -8.321 1.00 0.00 C ATOM 583 CG ASN A 35 5.776 -2.719 -9.774 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.763 -3.123 -10.344 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.692 -1.974 -10.384 1.00 0.00 N ATOM 0 H ASN A 35 3.681 -2.362 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 35 5.384 -2.527 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.114 -3.008 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.733 -4.088 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.570 -1.716 -11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.517 -1.661 -9.873 1.00 0.00 H new ATOM 592 N ILE A 36 6.297 -0.240 -6.200 1.00 0.00 N ATOM 593 CA ILE A 36 6.925 1.070 -6.086 1.00 0.00 C ATOM 594 C ILE A 36 8.373 1.034 -6.565 1.00 0.00 C ATOM 595 O ILE A 36 8.989 2.078 -6.777 1.00 0.00 O ATOM 596 CB ILE A 36 6.888 1.588 -4.635 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.676 0.656 -3.712 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.451 1.724 -4.156 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.036 1.284 -2.385 1.00 0.00 C ATOM 0 H ILE A 36 6.149 -0.717 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 36 6.354 1.748 -6.721 1.00 0.00 H new ATOM 0 HB ILE A 36 7.355 2.573 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.089 -0.245 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.590 0.345 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.443 2.091 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.919 2.427 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.960 0.752 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.593 0.567 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.649 2.169 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.125 1.570 -1.859 1.00 0.00 H new ATOM 611 N MET A 37 8.917 -0.169 -6.731 1.00 0.00 N ATOM 612 CA MET A 37 10.292 -0.322 -7.181 1.00 0.00 C ATOM 613 C MET A 37 10.357 -1.097 -8.494 1.00 0.00 C ATOM 614 O MET A 37 10.633 -2.296 -8.504 1.00 0.00 O ATOM 615 CB MET A 37 11.130 -1.021 -6.105 1.00 0.00 C ATOM 616 CG MET A 37 12.532 -1.401 -6.560 1.00 0.00 C ATOM 617 SD MET A 37 13.831 -0.700 -5.521 1.00 0.00 S ATOM 618 CE MET A 37 13.234 -1.115 -3.882 1.00 0.00 C ATOM 0 H MET A 37 8.427 -1.047 -6.561 1.00 0.00 H new ATOM 0 HA MET A 37 10.704 0.672 -7.356 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.206 -0.367 -5.237 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.608 -1.921 -5.781 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.624 -2.487 -6.563 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.677 -1.066 -7.587 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.035 -0.973 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.394 -0.469 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.909 -2.155 -3.866 1.00 0.00 H new ATOM 628 N PRO A 38 10.106 -0.415 -9.623 1.00 0.00 N ATOM 629 CA PRO A 38 10.146 -1.039 -10.949 1.00 0.00 C ATOM 630 C PRO A 38 11.573 -1.349 -11.389 1.00 0.00 C ATOM 631 O PRO A 38 11.792 -2.032 -12.389 1.00 0.00 O ATOM 632 CB PRO A 38 9.522 0.021 -11.857 1.00 0.00 C ATOM 633 CG PRO A 38 9.807 1.313 -11.174 1.00 0.00 C ATOM 634 CD PRO A 38 9.772 1.021 -9.698 1.00 0.00 C ATOM 0 HA PRO A 38 9.624 -1.995 -10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.959 -0.005 -12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.450 -0.138 -11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.780 1.705 -11.471 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.066 2.066 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.492 1.630 -9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.791 1.228 -9.271 1.00 0.00 H new ATOM 642 N GLU A 39 12.543 -0.839 -10.633 1.00 0.00 N ATOM 643 CA GLU A 39 13.950 -1.055 -10.935 1.00 0.00 C ATOM 644 C GLU A 39 14.737 -1.308 -9.655 1.00 0.00 C ATOM 645 O GLU A 39 14.540 -0.625 -8.651 1.00 0.00 O ATOM 646 CB GLU A 39 14.528 0.153 -11.674 1.00 0.00 C ATOM 647 CG GLU A 39 15.554 -0.216 -12.735 1.00 0.00 C ATOM 648 CD GLU A 39 16.254 0.998 -13.315 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.693 1.619 -14.243 1.00 0.00 O ATOM 650 OE2 GLU A 39 17.362 1.327 -12.843 1.00 0.00 O ATOM 0 H GLU A 39 12.375 -0.271 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 39 14.032 -1.932 -11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.714 0.705 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.991 0.824 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.296 -0.886 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.061 -0.764 -13.537 1.00 0.00 H new ATOM 657 N LYS A 40 15.630 -2.291 -9.695 1.00 0.00 N ATOM 658 CA LYS A 40 16.442 -2.631 -8.529 1.00 0.00 C ATOM 659 C LYS A 40 17.315 -1.468 -8.084 1.00 0.00 C ATOM 660 O LYS A 40 17.938 -1.507 -7.023 1.00 0.00 O ATOM 661 CB LYS A 40 17.304 -3.864 -8.809 1.00 0.00 C ATOM 662 CG LYS A 40 16.495 -5.118 -9.095 1.00 0.00 C ATOM 663 CD LYS A 40 17.389 -6.342 -9.216 1.00 0.00 C ATOM 664 CE LYS A 40 17.863 -6.546 -10.646 1.00 0.00 C ATOM 665 NZ LYS A 40 18.948 -7.562 -10.732 1.00 0.00 N ATOM 0 H LYS A 40 15.811 -2.865 -10.518 1.00 0.00 H new ATOM 0 HA LYS A 40 15.754 -2.858 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.953 -3.658 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.952 -4.047 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.769 -5.274 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.931 -4.986 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.251 -6.231 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.845 -7.226 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.023 -6.859 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.220 -5.598 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.243 -7.672 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.760 -7.252 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.600 -8.473 -10.372 1.00 0.00 H new ATOM 679 N GLY A 41 17.338 -0.440 -8.899 1.00 0.00 N ATOM 680 CA GLY A 41 18.120 0.742 -8.600 1.00 0.00 C ATOM 681 C GLY A 41 17.424 1.659 -7.614 1.00 0.00 C ATOM 682 O GLY A 41 17.927 1.897 -6.515 1.00 0.00 O ATOM 0 H GLY A 41 16.823 -0.396 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.086 0.442 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.317 1.287 -9.523 1.00 0.00 H new ATOM 686 N VAL A 42 16.260 2.169 -8.005 1.00 0.00 N ATOM 687 CA VAL A 42 15.498 3.064 -7.143 1.00 0.00 C ATOM 688 C VAL A 42 13.999 2.949 -7.405 1.00 0.00 C ATOM 689 O VAL A 42 13.578 2.573 -8.499 1.00 0.00 O ATOM 690 CB VAL A 42 15.925 4.531 -7.337 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.273 5.421 -6.291 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.440 4.658 -7.287 1.00 0.00 C ATOM 0 H VAL A 42 15.826 1.979 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 42 15.708 2.760 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 42 15.589 4.860 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.587 6.453 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.189 5.354 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.575 5.094 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.722 5.702 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.803 4.310 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.882 4.054 -8.079 1.00 0.00 H new ATOM 702 N PHE A 43 13.199 3.285 -6.397 1.00 0.00 N ATOM 703 CA PHE A 43 11.744 3.226 -6.528 1.00 0.00 C ATOM 704 C PHE A 43 11.268 4.142 -7.653 1.00 0.00 C ATOM 705 O PHE A 43 12.039 4.942 -8.183 1.00 0.00 O ATOM 706 CB PHE A 43 11.046 3.623 -5.218 1.00 0.00 C ATOM 707 CG PHE A 43 11.850 3.361 -3.974 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.549 2.176 -3.817 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.902 4.304 -2.961 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.286 1.937 -2.672 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.636 4.071 -1.814 1.00 0.00 C ATOM 712 CZ PHE A 43 13.330 2.885 -1.670 1.00 0.00 C ATOM 0 H PHE A 43 13.530 3.599 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 43 11.481 2.195 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.801 4.684 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.103 3.081 -5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.518 1.430 -4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.362 5.233 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.827 1.009 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.667 4.815 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.906 2.700 -0.775 1.00 0.00 H new ATOM 722 N ASP A 44 9.992 4.023 -8.009 1.00 0.00 N ATOM 723 CA ASP A 44 9.411 4.841 -9.069 1.00 0.00 C ATOM 724 C ASP A 44 9.005 6.212 -8.539 1.00 0.00 C ATOM 725 O ASP A 44 7.953 6.361 -7.916 1.00 0.00 O ATOM 726 CB ASP A 44 8.193 4.139 -9.675 1.00 0.00 C ATOM 727 CG ASP A 44 7.928 4.571 -11.104 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.988 5.787 -11.377 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.658 3.692 -11.950 1.00 0.00 O ATOM 0 H ASP A 44 9.340 3.367 -7.578 1.00 0.00 H new ATOM 0 HA ASP A 44 10.168 4.978 -9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.348 3.060 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.315 4.351 -9.066 1.00 0.00 H new ATOM 734 N ASP A 45 9.842 7.212 -8.793 1.00 0.00 N ATOM 735 CA ASP A 45 9.570 8.574 -8.342 1.00 0.00 C ATOM 736 C ASP A 45 8.207 9.055 -8.837 1.00 0.00 C ATOM 737 O ASP A 45 7.579 9.909 -8.212 1.00 0.00 O ATOM 738 CB ASP A 45 10.666 9.523 -8.831 1.00 0.00 C ATOM 739 CG ASP A 45 11.960 9.357 -8.059 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.400 8.201 -7.881 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.533 10.381 -7.633 1.00 0.00 O ATOM 0 H ASP A 45 10.715 7.106 -9.309 1.00 0.00 H new ATOM 0 HA ASP A 45 9.558 8.571 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.852 9.344 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.320 10.552 -8.738 1.00 0.00 H new ATOM 746 N GLU A 46 7.757 8.505 -9.960 1.00 0.00 N ATOM 747 CA GLU A 46 6.469 8.884 -10.532 1.00 0.00 C ATOM 748 C GLU A 46 5.328 8.528 -9.585 1.00 0.00 C ATOM 749 O GLU A 46 4.522 9.384 -9.217 1.00 0.00 O ATOM 750 CB GLU A 46 6.264 8.193 -11.882 1.00 0.00 C ATOM 751 CG GLU A 46 7.356 8.497 -12.893 1.00 0.00 C ATOM 752 CD GLU A 46 7.079 7.884 -14.252 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.294 6.913 -14.317 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.645 8.374 -15.251 1.00 0.00 O ATOM 0 H GLU A 46 8.263 7.797 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 46 6.469 9.964 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.215 7.115 -11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.303 8.499 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.457 9.577 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.308 8.123 -12.517 1.00 0.00 H new ATOM 761 N LYS A 47 5.267 7.261 -9.190 1.00 0.00 N ATOM 762 CA LYS A 47 4.228 6.798 -8.280 1.00 0.00 C ATOM 763 C LYS A 47 4.500 7.290 -6.864 1.00 0.00 C ATOM 764 O LYS A 47 3.575 7.572 -6.104 1.00 0.00 O ATOM 765 CB LYS A 47 4.143 5.270 -8.297 1.00 0.00 C ATOM 766 CG LYS A 47 3.218 4.723 -9.369 1.00 0.00 C ATOM 767 CD LYS A 47 3.700 3.378 -9.887 1.00 0.00 C ATOM 768 CE LYS A 47 3.122 3.068 -11.258 1.00 0.00 C ATOM 769 NZ LYS A 47 3.742 3.903 -12.324 1.00 0.00 N ATOM 0 H LYS A 47 5.924 6.538 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 47 3.274 7.206 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.142 4.861 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.800 4.923 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.211 4.619 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.157 5.432 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.789 3.377 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.415 2.594 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.276 2.014 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.045 3.237 -11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.532 3.489 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.355 4.867 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.772 3.936 -12.184 1.00 0.00 H new ATOM 783 N ILE A 48 5.778 7.395 -6.521 1.00 0.00 N ATOM 784 CA ILE A 48 6.179 7.859 -5.200 1.00 0.00 C ATOM 785 C ILE A 48 5.910 9.354 -5.050 1.00 0.00 C ATOM 786 O ILE A 48 5.621 9.837 -3.954 1.00 0.00 O ATOM 787 CB ILE A 48 7.676 7.575 -4.941 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.923 6.069 -4.830 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.156 8.286 -3.682 1.00 0.00 C ATOM 790 CD1 ILE A 48 7.054 5.385 -3.797 1.00 0.00 C ATOM 0 H ILE A 48 6.555 7.165 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 48 5.587 7.313 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 48 8.245 7.961 -5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.748 5.608 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.970 5.899 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.212 8.070 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.019 9.361 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.581 7.936 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.285 4.320 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.246 5.818 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.004 5.523 -4.056 1.00 0.00 H new ATOM 802 N ALA A 49 6.014 10.083 -6.157 1.00 0.00 N ATOM 803 CA ALA A 49 5.786 11.523 -6.146 1.00 0.00 C ATOM 804 C ALA A 49 4.330 11.840 -5.830 1.00 0.00 C ATOM 805 O ALA A 49 4.036 12.564 -4.877 1.00 0.00 O ATOM 806 CB ALA A 49 6.183 12.133 -7.481 1.00 0.00 C ATOM 0 H ALA A 49 6.254 9.700 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 49 6.407 11.959 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.007 13.208 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.240 11.943 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.587 11.686 -8.277 1.00 0.00 H new ATOM 812 N GLU A 50 3.418 11.290 -6.628 1.00 0.00 N ATOM 813 CA GLU A 50 1.993 11.517 -6.417 1.00 0.00 C ATOM 814 C GLU A 50 1.582 11.034 -5.031 1.00 0.00 C ATOM 815 O GLU A 50 0.667 11.582 -4.415 1.00 0.00 O ATOM 816 CB GLU A 50 1.170 10.807 -7.496 1.00 0.00 C ATOM 817 CG GLU A 50 1.150 9.292 -7.361 1.00 0.00 C ATOM 818 CD GLU A 50 0.783 8.598 -8.658 1.00 0.00 C ATOM 819 OE1 GLU A 50 1.313 8.998 -9.716 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.036 7.656 -8.616 1.00 0.00 O ATOM 0 H GLU A 50 3.639 10.688 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 50 1.798 12.587 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.146 11.178 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.570 11.069 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.130 8.947 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.437 9.009 -6.587 1.00 0.00 H new ATOM 827 N LEU A 51 2.281 10.015 -4.538 1.00 0.00 N ATOM 828 CA LEU A 51 2.008 9.461 -3.222 1.00 0.00 C ATOM 829 C LEU A 51 2.185 10.547 -2.163 1.00 0.00 C ATOM 830 O LEU A 51 1.252 10.878 -1.434 1.00 0.00 O ATOM 831 CB LEU A 51 2.957 8.288 -2.956 1.00 0.00 C ATOM 832 CG LEU A 51 2.497 7.285 -1.902 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.556 6.215 -1.695 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.183 7.977 -0.591 1.00 0.00 C ATOM 0 H LEU A 51 3.044 9.557 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 51 0.981 9.098 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.115 7.754 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.923 8.689 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 51 1.583 6.812 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.215 5.506 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.731 5.689 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.484 6.681 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.858 7.238 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.076 8.483 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.389 8.708 -0.746 1.00 0.00 H new ATOM 846 N LEU A 52 3.391 11.113 -2.113 1.00 0.00 N ATOM 847 CA LEU A 52 3.718 12.179 -1.176 1.00 0.00 C ATOM 848 C LEU A 52 2.632 13.245 -1.139 1.00 0.00 C ATOM 849 O LEU A 52 2.248 13.728 -0.075 1.00 0.00 O ATOM 850 CB LEU A 52 5.032 12.789 -1.575 1.00 0.00 C ATOM 851 CG LEU A 52 6.208 11.880 -1.292 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.456 12.508 -1.818 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.324 11.603 0.197 1.00 0.00 C ATOM 0 H LEU A 52 4.165 10.844 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 52 3.790 11.755 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.009 13.027 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.168 13.729 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 52 6.054 10.925 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.305 11.855 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.362 12.658 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.613 13.470 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.176 10.948 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.467 12.542 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.412 11.120 0.549 1.00 0.00 H new ATOM 865 N THR A 53 2.141 13.599 -2.318 1.00 0.00 N ATOM 866 CA THR A 53 1.089 14.602 -2.439 1.00 0.00 C ATOM 867 C THR A 53 -0.239 14.055 -1.921 1.00 0.00 C ATOM 868 O THR A 53 -1.072 14.801 -1.405 1.00 0.00 O ATOM 869 CB THR A 53 0.940 15.040 -3.898 1.00 0.00 C ATOM 870 OG1 THR A 53 2.198 15.384 -4.449 1.00 0.00 O ATOM 871 CG2 THR A 53 0.019 16.229 -4.074 1.00 0.00 C ATOM 0 H THR A 53 2.454 13.207 -3.206 1.00 0.00 H new ATOM 0 HA THR A 53 1.368 15.466 -1.835 1.00 0.00 H new ATOM 0 HB THR A 53 0.505 14.184 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.082 15.660 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.043 16.488 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.975 15.977 -3.703 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.411 17.079 -3.514 1.00 0.00 H new ATOM 879 N LYS A 54 -0.425 12.748 -2.068 1.00 0.00 N ATOM 880 CA LYS A 54 -1.649 12.087 -1.626 1.00 0.00 C ATOM 881 C LYS A 54 -1.856 12.245 -0.121 1.00 0.00 C ATOM 882 O LYS A 54 -2.945 12.600 0.330 1.00 0.00 O ATOM 883 CB LYS A 54 -1.603 10.601 -1.991 1.00 0.00 C ATOM 884 CG LYS A 54 -2.931 10.053 -2.485 1.00 0.00 C ATOM 885 CD LYS A 54 -2.730 8.978 -3.540 1.00 0.00 C ATOM 886 CE LYS A 54 -4.036 8.280 -3.884 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.627 8.801 -5.147 1.00 0.00 N ATOM 0 H LYS A 54 0.260 12.122 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.488 12.561 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.848 10.448 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.287 10.031 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.491 9.641 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.529 10.864 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.308 9.425 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.009 8.244 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.861 7.208 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.746 8.415 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.516 8.300 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.818 9.818 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.960 8.649 -5.931 1.00 0.00 H new ATOM 901 N LEU A 55 -0.809 11.973 0.652 1.00 0.00 N ATOM 902 CA LEU A 55 -0.888 12.079 2.107 1.00 0.00 C ATOM 903 C LEU A 55 -1.259 13.495 2.534 1.00 0.00 C ATOM 904 O LEU A 55 -2.277 13.714 3.189 1.00 0.00 O ATOM 905 CB LEU A 55 0.429 11.676 2.756 1.00 0.00 C ATOM 906 CG LEU A 55 1.086 10.457 2.130 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.110 10.901 1.122 1.00 0.00 C ATOM 908 CD2 LEU A 55 1.721 9.579 3.185 1.00 0.00 C ATOM 0 H LEU A 55 0.101 11.679 0.298 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.669 11.396 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.121 12.516 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.254 11.477 3.813 1.00 0.00 H new ATOM 0 HG LEU A 55 0.321 9.865 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.581 10.027 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.624 11.491 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.868 11.508 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.183 8.714 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.481 10.147 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.957 9.242 3.886 1.00 0.00 H new ATOM 920 N GLY A 56 -0.420 14.452 2.151 1.00 0.00 N ATOM 921 CA GLY A 56 -0.661 15.841 2.494 1.00 0.00 C ATOM 922 C GLY A 56 0.215 16.785 1.694 1.00 0.00 C ATOM 923 O GLY A 56 0.081 16.881 0.473 1.00 0.00 O ATOM 0 H GLY A 56 0.427 14.289 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.709 16.081 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.476 15.989 3.558 1.00 0.00 H new ATOM 927 N ARG A 57 1.120 17.478 2.377 1.00 0.00 N ATOM 928 CA ARG A 57 2.026 18.410 1.713 1.00 0.00 C ATOM 929 C ARG A 57 3.345 18.518 2.465 1.00 0.00 C ATOM 930 O ARG A 57 4.023 19.544 2.411 1.00 0.00 O ATOM 931 CB ARG A 57 1.378 19.790 1.586 1.00 0.00 C ATOM 932 CG ARG A 57 0.062 19.776 0.827 1.00 0.00 C ATOM 933 CD ARG A 57 -0.280 21.153 0.281 1.00 0.00 C ATOM 934 NE ARG A 57 -1.709 21.439 0.373 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.352 21.645 1.520 1.00 0.00 C ATOM 936 NH1 ARG A 57 -1.697 21.598 2.673 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.654 21.900 1.514 1.00 0.00 N ATOM 0 H ARG A 57 1.246 17.413 3.387 1.00 0.00 H new ATOM 0 HA ARG A 57 2.231 18.024 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.208 20.196 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.072 20.463 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.122 19.062 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.736 19.436 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.277 21.910 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.037 21.219 -0.760 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.246 21.484 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.696 21.403 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.195 21.757 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.162 21.938 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.147 22.058 2.393 1.00 0.00 H new ATOM 951 N ASP A 58 3.706 17.447 3.157 1.00 0.00 N ATOM 952 CA ASP A 58 4.941 17.402 3.918 1.00 0.00 C ATOM 953 C ASP A 58 5.816 16.247 3.432 1.00 0.00 C ATOM 954 O ASP A 58 5.681 15.784 2.299 1.00 0.00 O ATOM 955 CB ASP A 58 4.626 17.262 5.413 1.00 0.00 C ATOM 956 CG ASP A 58 4.056 15.901 5.769 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.767 15.115 4.841 1.00 0.00 O ATOM 958 OD2 ASP A 58 3.897 15.621 6.976 1.00 0.00 O ATOM 0 H ASP A 58 3.153 16.591 3.205 1.00 0.00 H new ATOM 0 HA ASP A 58 5.492 18.331 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.536 17.432 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.916 18.036 5.704 1.00 0.00 H new ATOM 963 N THR A 59 6.706 15.785 4.296 1.00 0.00 N ATOM 964 CA THR A 59 7.599 14.681 3.969 1.00 0.00 C ATOM 965 C THR A 59 7.407 13.525 4.946 1.00 0.00 C ATOM 966 O THR A 59 6.769 13.682 5.987 1.00 0.00 O ATOM 967 CB THR A 59 9.055 15.150 3.994 1.00 0.00 C ATOM 968 OG1 THR A 59 9.933 14.071 3.724 1.00 0.00 O ATOM 969 CG2 THR A 59 9.466 15.757 5.318 1.00 0.00 C ATOM 0 H THR A 59 6.831 16.160 5.236 1.00 0.00 H new ATOM 0 HA THR A 59 7.356 14.332 2.965 1.00 0.00 H new ATOM 0 HB THR A 59 9.125 15.919 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.859 14.390 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.509 16.068 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.839 16.623 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.346 15.018 6.110 1.00 0.00 H new ATOM 977 N GLN A 60 7.967 12.366 4.611 1.00 0.00 N ATOM 978 CA GLN A 60 7.862 11.190 5.472 1.00 0.00 C ATOM 979 C GLN A 60 9.232 10.561 5.700 1.00 0.00 C ATOM 980 O GLN A 60 9.732 9.810 4.862 1.00 0.00 O ATOM 981 CB GLN A 60 6.916 10.161 4.858 1.00 0.00 C ATOM 982 CG GLN A 60 7.038 10.033 3.348 1.00 0.00 C ATOM 983 CD GLN A 60 5.863 9.304 2.728 1.00 0.00 C ATOM 984 OE1 GLN A 60 4.714 9.727 2.860 1.00 0.00 O ATOM 985 NE2 GLN A 60 6.145 8.199 2.046 1.00 0.00 N ATOM 0 H GLN A 60 8.497 12.215 3.752 1.00 0.00 H new ATOM 0 HA GLN A 60 7.461 11.512 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.109 9.189 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.890 10.431 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.117 11.027 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.959 9.503 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.112 7.884 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.395 7.665 1.607 1.00 0.00 H new ATOM 994 N ILE A 61 9.830 10.875 6.842 1.00 0.00 N ATOM 995 CA ILE A 61 11.145 10.355 7.196 1.00 0.00 C ATOM 996 C ILE A 61 11.069 8.949 7.786 1.00 0.00 C ATOM 997 O ILE A 61 11.045 8.777 9.006 1.00 0.00 O ATOM 998 CB ILE A 61 11.862 11.287 8.196 1.00 0.00 C ATOM 999 CG1 ILE A 61 13.268 10.765 8.503 1.00 0.00 C ATOM 1000 CG2 ILE A 61 11.050 11.427 9.476 1.00 0.00 C ATOM 1001 CD1 ILE A 61 14.176 10.729 7.294 1.00 0.00 C ATOM 0 H ILE A 61 9.422 11.492 7.544 1.00 0.00 H new ATOM 0 HA ILE A 61 11.716 10.309 6.269 1.00 0.00 H new ATOM 0 HB ILE A 61 11.954 12.273 7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 61 13.721 11.394 9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.191 9.761 8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.572 12.088 10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.072 11.847 9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.924 10.447 9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 61 15.155 10.349 7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.745 10.077 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 61 14.283 11.735 6.889 1.00 0.00 H new ATOM 1013 N GLY A 62 11.058 7.944 6.920 1.00 0.00 N ATOM 1014 CA GLY A 62 11.014 6.570 7.386 1.00 0.00 C ATOM 1015 C GLY A 62 9.695 5.879 7.105 1.00 0.00 C ATOM 1016 O GLY A 62 9.341 4.915 7.782 1.00 0.00 O ATOM 0 H GLY A 62 11.079 8.054 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.818 6.008 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.203 6.552 8.459 1.00 0.00 H new ATOM 1020 N LEU A 63 8.967 6.362 6.104 1.00 0.00 N ATOM 1021 CA LEU A 63 7.687 5.760 5.750 1.00 0.00 C ATOM 1022 C LEU A 63 7.876 4.303 5.337 1.00 0.00 C ATOM 1023 O LEU A 63 8.696 3.994 4.473 1.00 0.00 O ATOM 1024 CB LEU A 63 7.015 6.545 4.621 1.00 0.00 C ATOM 1025 CG LEU A 63 5.518 6.798 4.815 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.791 5.490 5.082 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.280 7.780 5.952 1.00 0.00 C ATOM 0 H LEU A 63 9.237 7.160 5.529 1.00 0.00 H new ATOM 0 HA LEU A 63 7.042 5.793 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.520 7.505 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.159 6.004 3.686 1.00 0.00 H new ATOM 0 HG LEU A 63 5.123 7.236 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.727 5.686 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.931 4.817 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.193 5.028 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.209 7.945 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.690 7.373 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.770 8.727 5.724 1.00 0.00 H new ATOM 1039 N THR A 64 7.120 3.410 5.969 1.00 0.00 N ATOM 1040 CA THR A 64 7.215 1.986 5.673 1.00 0.00 C ATOM 1041 C THR A 64 6.212 1.570 4.601 1.00 0.00 C ATOM 1042 O THR A 64 5.254 2.287 4.310 1.00 0.00 O ATOM 1043 CB THR A 64 6.992 1.164 6.942 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.959 1.727 7.731 1.00 0.00 O ATOM 1045 CG2 THR A 64 8.227 1.057 7.811 1.00 0.00 C ATOM 0 H THR A 64 6.436 3.648 6.688 1.00 0.00 H new ATOM 0 HA THR A 64 8.218 1.794 5.291 1.00 0.00 H new ATOM 0 HB THR A 64 6.724 0.166 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.831 1.185 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.000 0.461 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.028 0.579 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.544 2.054 8.118 1.00 0.00 H new ATOM 1053 N MET A 65 6.444 0.397 4.022 1.00 0.00 N ATOM 1054 CA MET A 65 5.575 -0.137 2.985 1.00 0.00 C ATOM 1055 C MET A 65 4.954 -1.455 3.430 1.00 0.00 C ATOM 1056 O MET A 65 5.448 -2.097 4.356 1.00 0.00 O ATOM 1057 CB MET A 65 6.367 -0.335 1.691 1.00 0.00 C ATOM 1058 CG MET A 65 6.560 0.950 0.899 1.00 0.00 C ATOM 1059 SD MET A 65 8.285 1.474 0.828 1.00 0.00 S ATOM 1060 CE MET A 65 8.702 1.521 2.568 1.00 0.00 C ATOM 0 H MET A 65 7.233 -0.205 4.257 1.00 0.00 H new ATOM 0 HA MET A 65 4.771 0.576 2.804 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.344 -0.755 1.932 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.852 -1.064 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.187 0.806 -0.115 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.962 1.742 1.349 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.705 1.931 2.691 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.986 2.150 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.670 0.511 2.977 1.00 0.00 H new ATOM 1070 N PRO A 66 3.851 -1.876 2.787 1.00 0.00 N ATOM 1071 CA PRO A 66 3.213 -1.159 1.681 1.00 0.00 C ATOM 1072 C PRO A 66 2.259 -0.064 2.148 1.00 0.00 C ATOM 1073 O PRO A 66 1.630 -0.180 3.201 1.00 0.00 O ATOM 1074 CB PRO A 66 2.427 -2.261 0.950 1.00 0.00 C ATOM 1075 CG PRO A 66 2.709 -3.526 1.699 1.00 0.00 C ATOM 1076 CD PRO A 66 3.130 -3.109 3.075 1.00 0.00 C ATOM 0 HA PRO A 66 3.950 -0.645 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.360 -2.041 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.743 -2.343 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.824 -4.161 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.494 -4.102 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.278 -2.943 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.764 -3.854 3.555 1.00 0.00 H new ATOM 1084 N GLN A 67 2.135 0.983 1.339 1.00 0.00 N ATOM 1085 CA GLN A 67 1.240 2.087 1.649 1.00 0.00 C ATOM 1086 C GLN A 67 -0.038 1.964 0.830 1.00 0.00 C ATOM 1087 O GLN A 67 0.003 1.946 -0.398 1.00 0.00 O ATOM 1088 CB GLN A 67 1.921 3.425 1.361 1.00 0.00 C ATOM 1089 CG GLN A 67 2.958 3.814 2.399 1.00 0.00 C ATOM 1090 CD GLN A 67 2.490 4.943 3.294 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.966 4.711 4.384 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.677 6.176 2.839 1.00 0.00 N ATOM 0 H GLN A 67 2.645 1.088 0.462 1.00 0.00 H new ATOM 0 HA GLN A 67 0.990 2.047 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.399 3.377 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.162 4.206 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.197 2.945 3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.877 4.112 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.115 6.323 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.382 6.976 3.399 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.170 1.859 1.509 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.442 1.725 0.818 1.00 0.00 C ATOM 1103 C VAL A 68 -3.172 3.056 0.725 1.00 0.00 C ATOM 1104 O VAL A 68 -2.903 3.983 1.491 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.356 0.690 1.503 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.516 0.317 0.592 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.564 -0.549 1.901 1.00 0.00 C ATOM 0 H VAL A 68 -1.234 1.864 2.527 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.210 1.378 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.762 1.139 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.151 -0.415 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.100 1.208 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.129 -0.110 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.228 -1.266 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.125 -1.001 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.771 -0.267 2.594 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.104 3.142 -0.219 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.877 4.358 -0.417 1.00 0.00 C ATOM 1119 C PHE A 69 -6.318 4.028 -0.786 1.00 0.00 C ATOM 1120 O PHE A 69 -6.579 3.170 -1.629 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.228 5.221 -1.500 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.104 6.064 -0.973 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.354 7.328 -0.467 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.801 5.589 -0.969 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.328 8.106 0.031 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.769 6.361 -0.470 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.032 7.622 0.030 1.00 0.00 C ATOM 0 H PHE A 69 -4.340 2.383 -0.858 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.889 4.919 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.852 4.577 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.984 5.868 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.364 7.710 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.590 4.605 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.537 9.091 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.241 5.979 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.228 8.228 0.419 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.249 4.705 -0.121 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.674 4.480 -0.337 1.00 0.00 C ATOM 1139 C ALA A 70 -9.113 4.820 -1.760 1.00 0.00 C ATOM 1140 O ALA A 70 -8.554 5.707 -2.403 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.486 5.284 0.667 1.00 0.00 C ATOM 0 H ALA A 70 -7.040 5.419 0.577 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.857 3.415 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.549 5.110 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.224 4.974 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.268 6.345 0.545 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.146 4.111 -2.258 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.700 4.325 -3.603 1.00 0.00 C ATOM 1149 C PRO A 71 -10.889 5.802 -3.935 1.00 0.00 C ATOM 1150 O PRO A 71 -10.423 6.281 -4.969 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.053 3.619 -3.513 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.807 2.495 -2.575 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.870 3.045 -1.535 1.00 0.00 C ATOM 0 HA PRO A 71 -10.043 3.950 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.829 4.288 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.382 3.261 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.737 2.149 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.366 1.642 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.411 3.439 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.190 2.279 -1.161 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.580 6.516 -3.052 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.838 7.938 -3.249 1.00 0.00 C ATOM 1163 C ASP A 72 -10.536 8.720 -3.392 1.00 0.00 C ATOM 1164 O ASP A 72 -10.489 9.748 -4.069 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.657 8.491 -2.083 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.008 9.019 -2.522 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.496 8.589 -3.589 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.580 9.862 -1.798 1.00 0.00 O ATOM 0 H ASP A 72 -11.972 6.132 -2.192 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.406 8.053 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.801 7.707 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.098 9.291 -1.598 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.482 8.234 -2.746 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.200 8.907 -2.814 1.00 0.00 C ATOM 1175 C GLY A 73 -7.758 9.445 -1.467 1.00 0.00 C ATOM 1176 O GLY A 73 -7.703 10.659 -1.264 1.00 0.00 O ATOM 0 H GLY A 73 -9.493 7.387 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.448 8.213 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.261 9.728 -3.528 1.00 0.00 H new ATOM 1180 N SER A 74 -7.448 8.542 -0.544 1.00 0.00 N ATOM 1181 CA SER A 74 -7.009 8.930 0.793 1.00 0.00 C ATOM 1182 C SER A 74 -6.018 7.913 1.350 1.00 0.00 C ATOM 1183 O SER A 74 -5.988 6.761 0.920 1.00 0.00 O ATOM 1184 CB SER A 74 -8.209 9.058 1.732 1.00 0.00 C ATOM 1185 OG SER A 74 -9.045 10.135 1.347 1.00 0.00 O ATOM 0 H SER A 74 -7.492 7.534 -0.696 1.00 0.00 H new ATOM 0 HA SER A 74 -6.512 9.898 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.780 8.130 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.861 9.211 2.753 1.00 0.00 H new ATOM 0 HG SER A 74 -9.806 10.195 1.962 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.201 8.350 2.303 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.204 7.479 2.914 1.00 0.00 C ATOM 1193 C HIS A 75 -4.816 6.656 4.041 1.00 0.00 C ATOM 1194 O HIS A 75 -5.245 7.200 5.058 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.036 8.307 3.449 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.786 7.510 3.660 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -0.814 7.836 4.580 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.357 6.378 3.046 1.00 0.00 C ATOM 1199 CE1 HIS A 75 0.155 6.915 4.496 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.127 6.007 3.581 1.00 0.00 N ATOM 0 H HIS A 75 -5.210 9.302 2.669 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.837 6.795 2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.827 9.118 2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.329 8.766 4.393 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.829 8.636 5.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.886 5.850 2.267 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.051 6.916 5.099 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.852 5.341 3.853 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.412 4.443 4.855 1.00 0.00 C ATOM 1210 C ILE A 76 -4.323 3.915 5.785 1.00 0.00 C ATOM 1211 O ILE A 76 -4.465 3.957 7.007 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.143 3.254 4.200 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.176 3.756 3.191 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.806 2.389 5.260 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.507 2.746 2.114 1.00 0.00 C ATOM 0 H ILE A 76 -4.500 4.874 3.017 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.131 5.021 5.435 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.411 2.645 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.090 4.023 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.802 4.666 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.318 1.554 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.048 2.006 5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.528 2.986 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.246 3.169 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.603 2.497 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.911 1.844 2.573 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.234 3.422 5.202 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.140 2.900 6.002 1.00 0.00 C ATOM 1229 C GLY A 77 -1.800 1.461 5.670 1.00 0.00 C ATOM 1230 O GLY A 77 -2.038 0.997 4.554 1.00 0.00 O ATOM 0 H GLY A 77 -3.090 3.375 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.257 3.521 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.402 2.972 7.058 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.232 0.758 6.644 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.860 -0.630 6.442 1.00 0.00 C ATOM 1236 C GLY A 78 -1.969 -1.590 6.830 1.00 0.00 C ATOM 1237 O GLY A 78 -3.119 -1.401 6.445 1.00 0.00 O ATOM 0 H GLY A 78 -1.022 1.126 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.600 -0.785 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.031 -0.853 7.028 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.625 -2.620 7.598 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.610 -3.605 8.035 1.00 0.00 C ATOM 1243 C PHE A 79 -3.421 -3.084 9.215 1.00 0.00 C ATOM 1244 O PHE A 79 -4.600 -2.782 9.069 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.928 -4.924 8.398 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.829 -6.117 8.250 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -4.134 -6.071 8.709 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -2.374 -7.283 7.663 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.966 -7.165 8.586 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -3.201 -8.381 7.538 1.00 0.00 C ATOM 1251 CZ PHE A 79 -4.498 -8.321 8.002 1.00 0.00 C ATOM 0 H PHE A 79 -0.676 -2.794 7.929 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.295 -3.784 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.051 -5.058 7.765 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.573 -4.871 9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.506 -5.167 9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.359 -7.335 7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.983 -7.115 8.947 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.833 -9.286 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.146 -9.180 7.908 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.790 -2.965 10.379 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.481 -2.472 11.568 1.00 0.00 C ATOM 1263 C ASP A 80 -4.199 -1.163 11.263 1.00 0.00 C ATOM 1264 O ASP A 80 -5.383 -0.993 11.571 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.487 -2.267 12.713 1.00 0.00 C ATOM 1266 CG ASP A 80 -3.173 -2.184 14.062 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.359 -3.242 14.700 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -3.526 -1.061 14.480 1.00 0.00 O ATOM 0 H ASP A 80 -1.809 -3.201 10.525 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.219 -3.215 11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.771 -3.089 12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.920 -1.353 12.539 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.469 -0.241 10.648 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.019 1.059 10.287 1.00 0.00 C ATOM 1275 C GLN A 81 -5.240 0.897 9.390 1.00 0.00 C ATOM 1276 O GLN A 81 -6.244 1.588 9.559 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.957 1.905 9.580 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.924 3.352 10.044 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.561 3.992 9.858 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.577 3.572 10.467 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.499 5.014 9.013 1.00 0.00 N ATOM 0 H GLN A 81 -2.491 -0.370 10.388 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.326 1.567 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.977 1.457 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.141 1.881 8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.669 3.924 9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.203 3.399 11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.341 5.328 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.610 5.485 8.847 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.148 -0.024 8.435 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.247 -0.275 7.514 1.00 0.00 C ATOM 1292 C LEU A 82 -7.358 -1.079 8.174 1.00 0.00 C ATOM 1293 O LEU A 82 -8.532 -0.882 7.869 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.754 -0.981 6.263 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.827 -1.160 5.201 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.321 -0.739 3.837 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.299 -2.592 5.188 1.00 0.00 C ATOM 0 H LEU A 82 -4.325 -0.606 8.281 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.659 0.693 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.926 -0.414 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.361 -1.960 6.539 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.672 -0.516 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.110 -0.878 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.031 0.311 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.458 -1.347 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.068 -2.715 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.459 -3.250 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.712 -2.848 6.164 1.00 0.00 H new ATOM 1309 N ARG A 83 -7.000 -1.959 9.104 1.00 0.00 N ATOM 1310 CA ARG A 83 -8.002 -2.750 9.813 1.00 0.00 C ATOM 1311 C ARG A 83 -9.055 -1.810 10.380 1.00 0.00 C ATOM 1312 O ARG A 83 -10.238 -2.141 10.438 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.355 -3.569 10.933 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.549 -5.068 10.778 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.423 -5.789 12.111 1.00 0.00 C ATOM 1316 NE ARG A 83 -8.203 -7.022 12.143 1.00 0.00 N ATOM 1317 CZ ARG A 83 -8.239 -7.851 13.184 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -7.540 -7.581 14.280 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -8.975 -8.953 13.130 1.00 0.00 N ATOM 0 H ARG A 83 -6.036 -2.142 9.382 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.469 -3.450 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.288 -3.350 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.771 -3.254 11.890 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.531 -5.266 10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.810 -5.461 10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.375 -6.019 12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.755 -5.129 12.913 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.753 -7.263 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.972 -6.735 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.571 -8.219 15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.514 -9.166 12.290 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.002 -9.588 13.928 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.607 -0.619 10.771 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.509 0.392 11.297 1.00 0.00 C ATOM 1335 C GLU A 84 -10.447 0.851 10.188 1.00 0.00 C ATOM 1336 O GLU A 84 -11.626 1.114 10.425 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.724 1.580 11.854 1.00 0.00 C ATOM 1338 CG GLU A 84 -9.383 2.234 13.057 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.469 3.222 13.757 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.376 2.810 14.198 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.848 4.408 13.864 1.00 0.00 O ATOM 0 H GLU A 84 -7.628 -0.335 10.732 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.091 -0.038 12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.725 1.245 12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.602 2.325 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.289 2.748 12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.688 1.462 13.764 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.916 0.914 8.967 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.704 1.304 7.810 1.00 0.00 C ATOM 1350 C TYR A 85 -11.813 0.283 7.587 1.00 0.00 C ATOM 1351 O TYR A 85 -12.920 0.625 7.172 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.804 1.389 6.575 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.479 1.969 5.353 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.428 1.242 4.649 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.155 3.240 4.898 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.040 1.766 3.526 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.761 3.772 3.777 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.703 3.031 3.094 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.308 3.557 1.977 1.00 0.00 O ATOM 0 H TYR A 85 -8.941 0.698 8.759 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.150 2.283 7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.932 1.996 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.440 0.390 6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.693 0.250 4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.417 3.822 5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.778 1.188 2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.499 4.763 3.437 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.148 4.523 1.943 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.501 -0.975 7.894 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.453 -2.073 7.749 1.00 0.00 C ATOM 1371 C PHE A 86 -13.355 -2.180 8.975 1.00 0.00 C ATOM 1372 O PHE A 86 -14.561 -1.950 8.891 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.700 -3.393 7.529 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.266 -3.613 6.105 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.109 -3.295 5.049 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.013 -4.125 5.821 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -11.705 -3.485 3.742 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.604 -4.315 4.516 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.450 -3.994 3.476 1.00 0.00 C ATOM 0 H PHE A 86 -10.588 -1.260 8.248 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.082 -1.870 6.882 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.822 -3.412 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.339 -4.221 7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.091 -2.895 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.345 -4.380 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.371 -3.235 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.622 -4.715 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.131 -4.141 2.455 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.763 -2.531 10.112 1.00 0.00 N ATOM 1390 CA LYS A 87 -13.516 -2.668 11.355 1.00 0.00 C ATOM 1391 C LYS A 87 -14.600 -3.731 11.220 1.00 0.00 C ATOM 1392 O LYS A 87 -14.349 -4.887 11.623 1.00 0.00 O ATOM 1393 CB LYS A 87 -14.145 -1.328 11.744 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.178 -0.381 12.436 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.648 1.062 12.342 1.00 0.00 C ATOM 1396 CE LYS A 87 -14.974 1.264 13.058 1.00 0.00 C ATOM 1397 NZ LYS A 87 -14.789 1.842 14.417 1.00 0.00 N ATOM 1398 OXT LYS A 87 -15.694 -3.401 10.715 1.00 0.00 O ATOM 0 H LYS A 87 -11.766 -2.726 10.199 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.824 -2.978 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.535 -0.845 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.994 -1.512 12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.077 -0.664 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.190 -0.473 11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.895 1.720 12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.752 1.344 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.609 1.923 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.493 0.309 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.716 1.964 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.204 1.201 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.317 2.766 14.340 1.00 0.00 H new TER 1412 LYS A 87