USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 31 HIS : no HD1:sc= -2.76! K(o=-10!,f=-8.4) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -7.74! C(o=-10!,f=-11!) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.0708 USER MOD Set 2.2: A 28 SER OG : rot -150:sc= 0.494 USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 8 GLN : amide:sc= -3.62! C(o=-3.6!,f=-4.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 118:sc= 0.0653 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 17 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.6!) USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 1.21 (180deg=-0.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 21 ASN : amide:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 24 ASN : amide:sc= -0.0702 K(o=-0.07,f=-2.7!) USER MOD Single : A 33 SER OG : rot 84:sc= 0.137 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.51! C(o=-7.5!,f=-6.1!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00622 (180deg=-0.0864) USER MOD Single : A 51 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-2) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 109:sc= 0.25 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 110:sc= 0.706 USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.835 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -160:sc= 1.48 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 25:sc= 0.0754 USER MOD Single : A 83 ASN : amide:sc= -0.0271 K(o=-0.027,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.46) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.212 (180deg=-1.21) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 7.218 -6.535 7.445 1.00 0.00 N ATOM 2 CA MET A 6 5.865 -6.609 6.859 1.00 0.00 C ATOM 3 C MET A 6 5.281 -5.225 6.539 1.00 0.00 C ATOM 4 O MET A 6 6.006 -4.231 6.443 1.00 0.00 O ATOM 5 CB MET A 6 4.903 -7.434 7.741 1.00 0.00 C ATOM 6 CG MET A 6 4.588 -6.844 9.106 1.00 0.00 C ATOM 7 SD MET A 6 3.457 -7.883 10.051 1.00 0.00 S ATOM 8 CE MET A 6 3.287 -6.925 11.556 1.00 0.00 C ATOM 0 HA MET A 6 5.974 -7.131 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.967 -7.567 7.199 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.332 -8.426 7.885 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.514 -6.714 9.666 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.150 -5.854 8.980 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.615 -7.441 12.242 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.264 -6.808 12.025 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.879 -5.943 11.318 1.00 0.00 H new ATOM 17 N ILE A 7 3.972 -5.173 6.315 1.00 0.00 N ATOM 18 CA ILE A 7 3.319 -3.931 5.922 1.00 0.00 C ATOM 19 C ILE A 7 2.130 -3.658 6.837 1.00 0.00 C ATOM 20 O ILE A 7 1.402 -4.580 7.198 1.00 0.00 O ATOM 21 CB ILE A 7 2.787 -3.994 4.463 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.749 -4.748 3.530 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.538 -2.592 3.924 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.057 -5.365 2.323 1.00 0.00 C ATOM 0 H ILE A 7 3.345 -5.973 6.399 1.00 0.00 H new ATOM 0 HA ILE A 7 4.065 -3.140 5.998 1.00 0.00 H new ATOM 0 HB ILE A 7 1.847 -4.545 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.522 -4.062 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.250 -5.535 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.166 -2.656 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.800 -2.088 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.470 -2.027 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.793 -5.882 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.303 -6.076 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.579 -4.580 1.737 1.00 0.00 H new ATOM 36 N GLN A 8 1.937 -2.400 7.216 1.00 0.00 N ATOM 37 CA GLN A 8 0.812 -2.028 8.052 1.00 0.00 C ATOM 38 C GLN A 8 -0.080 -1.037 7.300 1.00 0.00 C ATOM 39 O GLN A 8 0.290 0.123 7.117 1.00 0.00 O ATOM 40 CB GLN A 8 1.312 -1.409 9.372 1.00 0.00 C ATOM 41 CG GLN A 8 2.097 -2.374 10.281 1.00 0.00 C ATOM 42 CD GLN A 8 3.431 -2.841 9.712 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.855 -3.967 9.954 1.00 0.00 O ATOM 44 NE2 GLN A 8 4.125 -1.964 8.993 1.00 0.00 N ATOM 0 H GLN A 8 2.546 -1.625 6.956 1.00 0.00 H new ATOM 0 HA GLN A 8 0.230 -2.919 8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.947 -0.554 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.454 -1.027 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.277 -1.884 11.238 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.477 -3.248 10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.742 -1.036 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.041 -2.219 8.623 1.00 0.00 H new ATOM 53 N VAL A 9 -1.236 -1.507 6.828 1.00 0.00 N ATOM 54 CA VAL A 9 -2.174 -0.641 6.112 1.00 0.00 C ATOM 55 C VAL A 9 -3.254 -0.051 7.022 1.00 0.00 C ATOM 56 O VAL A 9 -3.650 -0.654 8.022 1.00 0.00 O ATOM 57 CB VAL A 9 -2.877 -1.374 4.937 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.905 -1.619 3.795 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.494 -2.685 5.408 1.00 0.00 C ATOM 0 H VAL A 9 -1.543 -2.474 6.927 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.557 0.168 5.722 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.679 -0.733 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.419 -2.133 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.520 -0.665 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.077 -2.234 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.981 -3.181 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.713 -3.332 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.230 -2.482 6.186 1.00 0.00 H new ATOM 69 N TYR A 10 -3.720 1.132 6.631 1.00 0.00 N ATOM 70 CA TYR A 10 -4.827 1.838 7.302 1.00 0.00 C ATOM 71 C TYR A 10 -5.156 3.124 6.570 1.00 0.00 C ATOM 72 O TYR A 10 -4.541 3.450 5.553 1.00 0.00 O ATOM 73 CB TYR A 10 -4.609 2.111 8.814 1.00 0.00 C ATOM 74 CG TYR A 10 -3.317 2.811 9.227 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.312 2.128 9.911 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.120 4.169 8.969 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.150 2.771 10.315 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.962 4.813 9.367 1.00 0.00 C ATOM 79 CZ TYR A 10 -0.982 4.109 10.037 1.00 0.00 C ATOM 80 OH TYR A 10 0.167 4.752 10.441 1.00 0.00 O ATOM 0 H TYR A 10 -3.341 1.640 5.832 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.674 1.153 7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.445 2.712 9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.656 1.156 9.338 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.440 1.078 10.131 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.885 4.727 8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.383 2.225 10.844 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.825 5.863 9.154 1.00 0.00 H new ATOM 0 HH TYR A 10 0.130 5.692 10.166 1.00 0.00 H new ATOM 90 N SER A 11 -6.144 3.837 7.079 1.00 0.00 N ATOM 91 CA SER A 11 -6.655 5.020 6.408 1.00 0.00 C ATOM 92 C SER A 11 -6.608 6.246 7.316 1.00 0.00 C ATOM 93 O SER A 11 -6.496 6.125 8.535 1.00 0.00 O ATOM 94 CB SER A 11 -8.093 4.767 5.968 1.00 0.00 C ATOM 95 OG SER A 11 -8.178 3.615 5.144 1.00 0.00 O ATOM 0 H SER A 11 -6.611 3.617 7.959 1.00 0.00 H new ATOM 0 HA SER A 11 -6.023 5.219 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.728 4.639 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.469 5.635 5.426 1.00 0.00 H new ATOM 0 HG SER A 11 -8.749 2.945 5.576 1.00 0.00 H new ATOM 101 N ARG A 12 -6.700 7.428 6.702 1.00 0.00 N ATOM 102 CA ARG A 12 -6.668 8.691 7.441 1.00 0.00 C ATOM 103 C ARG A 12 -8.074 9.109 7.882 1.00 0.00 C ATOM 104 O ARG A 12 -8.237 10.021 8.687 1.00 0.00 O ATOM 105 CB ARG A 12 -6.050 9.792 6.570 1.00 0.00 C ATOM 106 CG ARG A 12 -5.030 10.661 7.301 1.00 0.00 C ATOM 107 CD ARG A 12 -5.671 11.526 8.376 1.00 0.00 C ATOM 108 NE ARG A 12 -6.455 12.622 7.808 1.00 0.00 N ATOM 109 CZ ARG A 12 -7.071 13.557 8.533 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.000 13.539 9.860 1.00 0.00 N ATOM 111 NH2 ARG A 12 -7.743 14.523 7.922 1.00 0.00 N ATOM 0 H ARG A 12 -6.797 7.536 5.692 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.058 8.546 8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.568 9.331 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.847 10.429 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.272 10.023 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.519 11.300 6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.314 10.908 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.894 11.934 9.023 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.536 12.675 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.471 12.806 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.474 14.258 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.787 14.548 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.216 15.241 8.471 1.00 0.00 H new ATOM 125 N HIS A 13 -9.082 8.438 7.351 1.00 0.00 N ATOM 126 CA HIS A 13 -10.472 8.786 7.634 1.00 0.00 C ATOM 127 C HIS A 13 -11.284 7.531 7.923 1.00 0.00 C ATOM 128 O HIS A 13 -10.899 6.436 7.509 1.00 0.00 O ATOM 129 CB HIS A 13 -11.094 9.544 6.450 1.00 0.00 C ATOM 130 CG HIS A 13 -10.708 10.993 6.370 1.00 0.00 C ATOM 131 ND1 HIS A 13 -11.087 11.885 7.341 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.991 11.650 5.424 1.00 0.00 C ATOM 133 CE1 HIS A 13 -10.597 13.055 6.973 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.924 12.962 5.817 1.00 0.00 N ATOM 0 H HIS A 13 -8.967 7.646 6.719 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.488 9.432 8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.800 9.051 5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.180 9.473 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.557 11.222 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.722 13.970 7.532 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.453 13.721 5.325 1.00 0.00 H new ATOM 142 N PRO A 14 -12.412 7.674 8.645 1.00 0.00 N ATOM 143 CA PRO A 14 -13.304 6.550 8.960 1.00 0.00 C ATOM 144 C PRO A 14 -13.993 6.013 7.709 1.00 0.00 C ATOM 145 O PRO A 14 -14.540 6.780 6.912 1.00 0.00 O ATOM 146 CB PRO A 14 -14.342 7.147 9.922 1.00 0.00 C ATOM 147 CG PRO A 14 -13.777 8.470 10.345 1.00 0.00 C ATOM 148 CD PRO A 14 -12.917 8.937 9.204 1.00 0.00 C ATOM 0 HA PRO A 14 -12.758 5.709 9.388 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.307 7.271 9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.502 6.495 10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.573 9.186 10.552 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.192 8.370 11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.490 9.505 8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.107 9.582 9.544 1.00 0.00 H new ATOM 156 N ALA A 15 -13.959 4.695 7.559 1.00 0.00 N ATOM 157 CA ALA A 15 -14.523 4.010 6.398 1.00 0.00 C ATOM 158 C ALA A 15 -16.017 4.290 6.236 1.00 0.00 C ATOM 159 O ALA A 15 -16.837 3.710 6.952 1.00 0.00 O ATOM 160 CB ALA A 15 -14.305 2.510 6.538 1.00 0.00 C ATOM 0 H ALA A 15 -13.537 4.066 8.242 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.014 4.389 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.726 1.999 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.237 2.302 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.796 2.154 7.444 1.00 0.00 H new ATOM 166 N GLU A 16 -16.377 5.161 5.295 1.00 0.00 N ATOM 167 CA GLU A 16 -17.790 5.433 5.029 1.00 0.00 C ATOM 168 C GLU A 16 -18.099 5.022 3.587 1.00 0.00 C ATOM 169 O GLU A 16 -17.684 5.707 2.649 1.00 0.00 O ATOM 170 CB GLU A 16 -18.117 6.931 5.271 1.00 0.00 C ATOM 171 CG GLU A 16 -19.590 7.264 5.530 1.00 0.00 C ATOM 172 CD GLU A 16 -20.505 6.866 4.388 1.00 0.00 C ATOM 173 OE1 GLU A 16 -21.236 5.865 4.527 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.499 7.559 3.346 1.00 0.00 O ATOM 0 H GLU A 16 -15.723 5.683 4.712 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.415 4.856 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.532 7.277 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.784 7.500 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.915 6.759 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.687 8.335 5.708 1.00 0.00 H new ATOM 181 N ASN A 17 -18.755 3.862 3.419 1.00 0.00 N ATOM 182 CA ASN A 17 -19.180 3.372 2.108 1.00 0.00 C ATOM 183 C ASN A 17 -19.732 4.499 1.219 1.00 0.00 C ATOM 184 O ASN A 17 -20.813 5.036 1.467 1.00 0.00 O ATOM 185 CB ASN A 17 -20.229 2.251 2.297 1.00 0.00 C ATOM 186 CG ASN A 17 -20.902 1.823 1.002 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.426 0.927 0.308 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.025 2.450 0.681 1.00 0.00 N ATOM 0 H ASN A 17 -19.003 3.242 4.190 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.307 2.971 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.746 1.385 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.991 2.592 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.527 2.194 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.387 3.189 1.284 1.00 0.00 H new ATOM 195 N GLY A 18 -18.965 4.850 0.184 1.00 0.00 N ATOM 196 CA GLY A 18 -19.360 5.913 -0.740 1.00 0.00 C ATOM 197 C GLY A 18 -18.378 7.074 -0.788 1.00 0.00 C ATOM 198 O GLY A 18 -18.436 7.899 -1.698 1.00 0.00 O ATOM 0 H GLY A 18 -18.069 4.414 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.463 5.493 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.341 6.289 -0.450 1.00 0.00 H new ATOM 202 N LYS A 19 -17.476 7.152 0.181 1.00 0.00 N ATOM 203 CA LYS A 19 -16.512 8.255 0.229 1.00 0.00 C ATOM 204 C LYS A 19 -15.256 7.905 -0.539 1.00 0.00 C ATOM 205 O LYS A 19 -14.895 6.736 -0.660 1.00 0.00 O ATOM 206 CB LYS A 19 -16.074 8.574 1.662 1.00 0.00 C ATOM 207 CG LYS A 19 -17.177 8.838 2.681 1.00 0.00 C ATOM 208 CD LYS A 19 -17.897 10.174 2.502 1.00 0.00 C ATOM 209 CE LYS A 19 -18.812 10.212 1.291 1.00 0.00 C ATOM 210 NZ LYS A 19 -20.053 9.420 1.508 1.00 0.00 N ATOM 0 H LYS A 19 -17.387 6.475 0.939 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.020 9.114 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.470 7.742 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.425 9.449 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.910 8.034 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.746 8.803 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.483 10.385 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.156 10.968 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.076 11.246 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.281 9.823 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.302 8.918 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.896 8.730 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.830 10.058 1.774 1.00 0.00 H new ATOM 224 N SER A 20 -14.610 8.923 -1.069 1.00 0.00 N ATOM 225 CA SER A 20 -13.254 8.787 -1.544 1.00 0.00 C ATOM 226 C SER A 20 -12.278 9.349 -0.513 1.00 0.00 C ATOM 227 O SER A 20 -12.489 10.425 0.052 1.00 0.00 O ATOM 228 CB SER A 20 -13.083 9.457 -2.903 1.00 0.00 C ATOM 229 OG SER A 20 -13.898 10.613 -3.005 1.00 0.00 O ATOM 0 H SER A 20 -15.006 9.856 -1.181 1.00 0.00 H new ATOM 0 HA SER A 20 -13.033 7.728 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.038 9.730 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.342 8.754 -3.694 1.00 0.00 H new ATOM 0 HG SER A 20 -13.770 11.027 -3.884 1.00 0.00 H new ATOM 235 N ASN A 21 -11.207 8.613 -0.292 1.00 0.00 N ATOM 236 CA ASN A 21 -10.224 8.922 0.742 1.00 0.00 C ATOM 237 C ASN A 21 -8.906 8.340 0.256 1.00 0.00 C ATOM 238 O ASN A 21 -8.792 8.001 -0.924 1.00 0.00 O ATOM 239 CB ASN A 21 -10.595 8.298 2.103 1.00 0.00 C ATOM 240 CG ASN A 21 -12.044 8.505 2.533 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.951 7.841 2.036 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.266 9.368 3.507 1.00 0.00 N ATOM 0 H ASN A 21 -10.987 7.773 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.173 9.999 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.393 7.228 2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.941 8.717 2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.211 9.498 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.492 9.905 3.899 1.00 0.00 H new ATOM 249 N PHE A 22 -7.919 8.194 1.130 1.00 0.00 N ATOM 250 CA PHE A 22 -6.628 7.660 0.709 1.00 0.00 C ATOM 251 C PHE A 22 -6.269 6.384 1.456 1.00 0.00 C ATOM 252 O PHE A 22 -6.436 6.298 2.676 1.00 0.00 O ATOM 253 CB PHE A 22 -5.529 8.706 0.900 1.00 0.00 C ATOM 254 CG PHE A 22 -5.562 9.787 -0.145 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.818 9.460 -1.467 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.339 11.115 0.184 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.853 10.434 -2.445 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.372 12.096 -0.791 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.630 11.755 -2.106 1.00 0.00 C ATOM 0 H PHE A 22 -7.983 8.433 2.120 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.710 7.413 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.632 9.158 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.557 8.213 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.993 8.429 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.138 11.386 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.054 10.164 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.196 13.128 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.657 12.520 -2.867 1.00 0.00 H new ATOM 269 N LEU A 23 -5.790 5.392 0.709 1.00 0.00 N ATOM 270 CA LEU A 23 -5.298 4.150 1.309 1.00 0.00 C ATOM 271 C LEU A 23 -3.802 4.271 1.569 1.00 0.00 C ATOM 272 O LEU A 23 -3.018 4.524 0.653 1.00 0.00 O ATOM 273 CB LEU A 23 -5.595 2.934 0.407 1.00 0.00 C ATOM 274 CG LEU A 23 -4.903 1.602 0.790 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.208 1.196 2.227 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.337 0.490 -0.155 1.00 0.00 C ATOM 0 H LEU A 23 -5.731 5.422 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.818 3.990 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.672 2.769 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.306 3.187 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.828 1.760 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.704 0.257 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.855 1.971 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.284 1.069 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.843 -0.440 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.417 0.360 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.062 0.753 -1.177 1.00 0.00 H new ATOM 288 N ASN A 24 -3.417 4.101 2.820 1.00 0.00 N ATOM 289 CA ASN A 24 -2.030 4.267 3.225 1.00 0.00 C ATOM 290 C ASN A 24 -1.380 2.915 3.477 1.00 0.00 C ATOM 291 O ASN A 24 -1.795 2.172 4.369 1.00 0.00 O ATOM 292 CB ASN A 24 -1.921 5.130 4.494 1.00 0.00 C ATOM 293 CG ASN A 24 -2.335 6.579 4.280 1.00 0.00 C ATOM 294 OD1 ASN A 24 -3.186 6.885 3.446 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.725 7.484 5.034 1.00 0.00 N ATOM 0 H ASN A 24 -4.049 3.846 3.579 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.509 4.772 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.544 4.694 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.893 5.104 4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.957 8.472 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.024 7.192 5.715 1.00 0.00 H new ATOM 302 N CYS A 25 -0.374 2.586 2.678 1.00 0.00 N ATOM 303 CA CYS A 25 0.412 1.380 2.875 1.00 0.00 C ATOM 304 C CYS A 25 1.834 1.774 3.289 1.00 0.00 C ATOM 305 O CYS A 25 2.580 2.347 2.496 1.00 0.00 O ATOM 306 CB CYS A 25 0.448 0.570 1.572 1.00 0.00 C ATOM 307 SG CYS A 25 1.774 -0.670 1.504 1.00 0.00 S ATOM 0 H CYS A 25 -0.082 3.147 1.878 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.037 0.768 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.511 0.068 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.564 1.257 0.733 1.00 0.00 H new ATOM 312 N TYR A 26 2.191 1.491 4.533 1.00 0.00 N ATOM 313 CA TYR A 26 3.475 1.955 5.086 1.00 0.00 C ATOM 314 C TYR A 26 4.510 0.829 5.097 1.00 0.00 C ATOM 315 O TYR A 26 4.394 -0.145 5.847 1.00 0.00 O ATOM 316 CB TYR A 26 3.247 2.589 6.484 1.00 0.00 C ATOM 317 CG TYR A 26 4.395 2.531 7.475 1.00 0.00 C ATOM 318 CD1 TYR A 26 5.447 3.436 7.421 1.00 0.00 C ATOM 319 CD2 TYR A 26 4.397 1.588 8.498 1.00 0.00 C ATOM 320 CE1 TYR A 26 6.466 3.401 8.352 1.00 0.00 C ATOM 321 CE2 TYR A 26 5.416 1.546 9.428 1.00 0.00 C ATOM 322 CZ TYR A 26 6.447 2.455 9.350 1.00 0.00 C ATOM 323 OH TYR A 26 7.463 2.421 10.279 1.00 0.00 O ATOM 0 H TYR A 26 1.622 0.947 5.182 1.00 0.00 H new ATOM 0 HA TYR A 26 3.888 2.732 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.980 3.636 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.385 2.100 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.468 4.179 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.587 0.877 8.566 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.275 4.114 8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.405 0.804 10.213 1.00 0.00 H new ATOM 0 HH TYR A 26 7.300 1.695 10.916 1.00 0.00 H new ATOM 333 N VAL A 27 5.502 0.964 4.217 1.00 0.00 N ATOM 334 CA VAL A 27 6.569 -0.017 4.045 1.00 0.00 C ATOM 335 C VAL A 27 7.878 0.547 4.618 1.00 0.00 C ATOM 336 O VAL A 27 8.428 1.498 4.074 1.00 0.00 O ATOM 337 CB VAL A 27 6.754 -0.311 2.532 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.756 -1.430 2.298 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.419 -0.654 1.882 1.00 0.00 C ATOM 0 H VAL A 27 5.587 1.769 3.596 1.00 0.00 H new ATOM 0 HA VAL A 27 6.309 -0.937 4.569 1.00 0.00 H new ATOM 0 HB VAL A 27 7.148 0.594 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.859 -1.608 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.723 -1.146 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.405 -2.340 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.572 -0.856 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.996 -1.536 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.733 0.185 1.996 1.00 0.00 H new ATOM 349 N SER A 28 8.368 -0.012 5.716 1.00 0.00 N ATOM 350 CA SER A 28 9.535 0.561 6.386 1.00 0.00 C ATOM 351 C SER A 28 10.656 -0.476 6.585 1.00 0.00 C ATOM 352 O SER A 28 10.385 -1.641 6.870 1.00 0.00 O ATOM 353 CB SER A 28 9.088 1.151 7.729 1.00 0.00 C ATOM 354 OG SER A 28 8.563 0.143 8.578 1.00 0.00 O ATOM 0 H SER A 28 7.986 -0.848 6.159 1.00 0.00 H new ATOM 0 HA SER A 28 9.952 1.346 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.933 1.637 8.216 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.333 1.918 7.560 1.00 0.00 H new ATOM 0 HG SER A 28 7.885 0.533 9.169 1.00 0.00 H new ATOM 360 N GLY A 29 11.911 -0.030 6.424 1.00 0.00 N ATOM 361 CA GLY A 29 13.075 -0.902 6.605 1.00 0.00 C ATOM 362 C GLY A 29 13.737 -1.253 5.291 1.00 0.00 C ATOM 363 O GLY A 29 14.881 -1.706 5.256 1.00 0.00 O ATOM 0 H GLY A 29 12.143 0.930 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.799 -0.409 7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.766 -1.817 7.110 1.00 0.00 H new ATOM 367 N PHE A 30 13.018 -1.026 4.213 1.00 0.00 N ATOM 368 CA PHE A 30 13.455 -1.447 2.893 1.00 0.00 C ATOM 369 C PHE A 30 14.132 -0.313 2.138 1.00 0.00 C ATOM 370 O PHE A 30 13.959 0.852 2.469 1.00 0.00 O ATOM 371 CB PHE A 30 12.250 -1.960 2.117 1.00 0.00 C ATOM 372 CG PHE A 30 11.618 -3.167 2.775 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.645 -3.019 3.760 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.019 -4.451 2.428 1.00 0.00 C ATOM 375 CE1 PHE A 30 10.086 -4.128 4.377 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.462 -5.562 3.041 1.00 0.00 C ATOM 377 CZ PHE A 30 10.495 -5.397 4.014 1.00 0.00 C ATOM 0 H PHE A 30 12.118 -0.547 4.223 1.00 0.00 H new ATOM 0 HA PHE A 30 14.192 -2.242 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.509 -1.165 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.556 -2.219 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.322 -2.029 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.776 -4.585 1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.332 -4.000 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.783 -6.554 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.058 -6.261 4.492 1.00 0.00 H new ATOM 387 N HIS A 31 14.919 -0.668 1.134 1.00 0.00 N ATOM 388 CA HIS A 31 15.613 0.322 0.317 1.00 0.00 C ATOM 389 C HIS A 31 14.739 0.689 -0.877 1.00 0.00 C ATOM 390 O HIS A 31 14.657 -0.075 -1.833 1.00 0.00 O ATOM 391 CB HIS A 31 16.964 -0.226 -0.170 1.00 0.00 C ATOM 392 CG HIS A 31 17.620 -1.174 0.792 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.865 -2.482 0.449 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.040 -0.965 2.062 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.422 -3.037 1.512 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.549 -2.157 2.514 1.00 0.00 N ATOM 0 H HIS A 31 15.095 -1.636 0.863 1.00 0.00 H new ATOM 0 HA HIS A 31 15.803 1.210 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.816 -0.735 -1.122 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.638 0.610 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.985 -0.038 2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.735 -4.069 1.566 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.947 -2.338 3.435 1.00 0.00 H new ATOM 404 N PRO A 32 14.089 1.872 -0.822 1.00 0.00 N ATOM 405 CA PRO A 32 13.066 2.317 -1.791 1.00 0.00 C ATOM 406 C PRO A 32 13.322 1.918 -3.251 1.00 0.00 C ATOM 407 O PRO A 32 12.397 1.521 -3.959 1.00 0.00 O ATOM 408 CB PRO A 32 13.110 3.838 -1.634 1.00 0.00 C ATOM 409 CG PRO A 32 13.440 4.056 -0.197 1.00 0.00 C ATOM 410 CD PRO A 32 14.307 2.894 0.226 1.00 0.00 C ATOM 0 HA PRO A 32 12.105 1.848 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.862 4.283 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.154 4.292 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.964 5.002 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.533 4.103 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.356 3.183 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.021 2.522 1.210 1.00 0.00 H new ATOM 418 N SER A 33 14.568 2.010 -3.687 1.00 0.00 N ATOM 419 CA SER A 33 14.926 1.745 -5.075 1.00 0.00 C ATOM 420 C SER A 33 14.760 0.266 -5.464 1.00 0.00 C ATOM 421 O SER A 33 14.386 -0.049 -6.594 1.00 0.00 O ATOM 422 CB SER A 33 16.370 2.194 -5.302 1.00 0.00 C ATOM 423 OG SER A 33 17.175 1.878 -4.173 1.00 0.00 O ATOM 0 H SER A 33 15.357 2.269 -3.094 1.00 0.00 H new ATOM 0 HA SER A 33 14.243 2.307 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.773 1.707 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.398 3.268 -5.486 1.00 0.00 H new ATOM 0 HG SER A 33 17.483 0.950 -4.240 1.00 0.00 H new ATOM 429 N ASP A 34 15.046 -0.639 -4.538 1.00 0.00 N ATOM 430 CA ASP A 34 15.052 -2.076 -4.837 1.00 0.00 C ATOM 431 C ASP A 34 13.818 -2.795 -4.310 1.00 0.00 C ATOM 432 O ASP A 34 13.872 -3.993 -4.025 1.00 0.00 O ATOM 433 CB ASP A 34 16.317 -2.730 -4.272 1.00 0.00 C ATOM 434 CG ASP A 34 17.566 -2.228 -4.962 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.131 -1.204 -4.521 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.974 -2.840 -5.973 1.00 0.00 O ATOM 0 H ASP A 34 15.278 -0.410 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 34 15.039 -2.170 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.385 -2.526 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.249 -3.812 -4.386 1.00 0.00 H new ATOM 441 N ILE A 35 12.703 -2.086 -4.185 1.00 0.00 N ATOM 442 CA ILE A 35 11.476 -2.728 -3.733 1.00 0.00 C ATOM 443 C ILE A 35 10.307 -2.422 -4.665 1.00 0.00 C ATOM 444 O ILE A 35 10.337 -1.463 -5.438 1.00 0.00 O ATOM 445 CB ILE A 35 11.098 -2.337 -2.273 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.016 -1.243 -2.235 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.326 -1.903 -1.480 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.574 -0.894 -0.829 1.00 0.00 C ATOM 0 H ILE A 35 12.622 -1.089 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 35 11.676 -3.799 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 35 10.685 -3.229 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.397 -0.346 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.151 -1.575 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.029 -1.637 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.044 -2.722 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.784 -1.039 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.810 -0.117 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.164 -1.781 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.429 -0.532 -0.258 1.00 0.00 H new ATOM 460 N GLU A 36 9.284 -3.260 -4.579 1.00 0.00 N ATOM 461 CA GLU A 36 8.076 -3.107 -5.374 1.00 0.00 C ATOM 462 C GLU A 36 6.844 -3.195 -4.477 1.00 0.00 C ATOM 463 O GLU A 36 6.561 -4.245 -3.907 1.00 0.00 O ATOM 464 CB GLU A 36 8.013 -4.189 -6.450 1.00 0.00 C ATOM 465 CG GLU A 36 9.045 -4.013 -7.561 1.00 0.00 C ATOM 466 CD GLU A 36 9.159 -5.239 -8.442 1.00 0.00 C ATOM 467 OE1 GLU A 36 8.322 -5.404 -9.353 1.00 0.00 O ATOM 468 OE2 GLU A 36 10.088 -6.041 -8.225 1.00 0.00 O ATOM 0 H GLU A 36 9.269 -4.066 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 36 8.096 -2.130 -5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.159 -5.163 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.016 -4.193 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.773 -3.153 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.017 -3.795 -7.119 1.00 0.00 H new ATOM 475 N VAL A 37 6.136 -2.086 -4.340 1.00 0.00 N ATOM 476 CA VAL A 37 4.922 -2.037 -3.532 1.00 0.00 C ATOM 477 C VAL A 37 3.761 -1.472 -4.350 1.00 0.00 C ATOM 478 O VAL A 37 3.905 -0.443 -5.014 1.00 0.00 O ATOM 479 CB VAL A 37 5.130 -1.217 -2.217 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.350 -0.318 -2.327 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.899 -0.389 -1.864 1.00 0.00 C ATOM 0 H VAL A 37 6.381 -1.199 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 37 4.678 -3.058 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 37 5.292 -1.936 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.474 0.242 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.236 -0.927 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.216 0.377 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.085 0.165 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.687 0.310 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.044 -1.050 -1.723 1.00 0.00 H new ATOM 491 N ASP A 38 2.614 -2.152 -4.304 1.00 0.00 N ATOM 492 CA ASP A 38 1.432 -1.721 -5.041 1.00 0.00 C ATOM 493 C ASP A 38 0.212 -1.752 -4.112 1.00 0.00 C ATOM 494 O ASP A 38 0.221 -2.440 -3.089 1.00 0.00 O ATOM 495 CB ASP A 38 1.138 -2.634 -6.260 1.00 0.00 C ATOM 496 CG ASP A 38 2.219 -2.665 -7.320 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.652 -1.592 -7.773 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.589 -3.786 -7.749 1.00 0.00 O ATOM 0 H ASP A 38 2.482 -3.006 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 38 1.627 -0.712 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.975 -3.650 -5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.207 -2.306 -6.723 1.00 0.00 H new ATOM 503 N LEU A 39 -0.841 -1.035 -4.492 1.00 0.00 N ATOM 504 CA LEU A 39 -2.093 -1.044 -3.732 1.00 0.00 C ATOM 505 C LEU A 39 -3.131 -1.873 -4.493 1.00 0.00 C ATOM 506 O LEU A 39 -3.364 -1.643 -5.683 1.00 0.00 O ATOM 507 CB LEU A 39 -2.602 0.386 -3.467 1.00 0.00 C ATOM 508 CG LEU A 39 -2.007 1.088 -2.223 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.525 1.372 -2.386 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.747 2.380 -1.921 1.00 0.00 C ATOM 0 H LEU A 39 -0.855 -0.440 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.916 -1.498 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.388 0.997 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.686 0.352 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.130 0.402 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.148 1.865 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.011 0.435 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.372 2.020 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.309 2.853 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.666 3.054 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.798 2.161 -1.730 1.00 0.00 H new ATOM 522 N LEU A 40 -3.720 -2.858 -3.819 1.00 0.00 N ATOM 523 CA LEU A 40 -4.540 -3.877 -4.478 1.00 0.00 C ATOM 524 C LEU A 40 -5.970 -3.949 -3.954 1.00 0.00 C ATOM 525 O LEU A 40 -6.319 -3.344 -2.942 1.00 0.00 O ATOM 526 CB LEU A 40 -3.942 -5.269 -4.275 1.00 0.00 C ATOM 527 CG LEU A 40 -2.504 -5.498 -4.739 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.274 -6.989 -4.927 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.190 -4.759 -6.033 1.00 0.00 C ATOM 0 H LEU A 40 -3.645 -2.974 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.555 -3.580 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.993 -5.504 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.580 -5.987 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.837 -5.103 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.250 -7.160 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.441 -7.505 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.966 -7.372 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.157 -4.953 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.858 -5.106 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.330 -3.688 -5.884 1.00 0.00 H new ATOM 541 N LYS A 41 -6.775 -4.729 -4.677 1.00 0.00 N ATOM 542 CA LYS A 41 -8.105 -5.142 -4.256 1.00 0.00 C ATOM 543 C LYS A 41 -8.198 -6.651 -4.372 1.00 0.00 C ATOM 544 O LYS A 41 -8.370 -7.153 -5.480 1.00 0.00 O ATOM 545 CB LYS A 41 -9.179 -4.555 -5.183 1.00 0.00 C ATOM 546 CG LYS A 41 -8.794 -3.193 -5.730 1.00 0.00 C ATOM 547 CD LYS A 41 -9.776 -2.597 -6.798 1.00 0.00 C ATOM 548 CE LYS A 41 -11.296 -2.666 -6.501 1.00 0.00 C ATOM 549 NZ LYS A 41 -12.066 -2.536 -7.766 1.00 0.00 N ATOM 0 H LYS A 41 -6.510 -5.097 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.266 -4.796 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.352 -5.240 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.119 -4.471 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.721 -2.493 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.801 -3.266 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.511 -1.550 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.596 -3.111 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.537 -3.611 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.577 -1.870 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.084 -2.583 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.846 -1.624 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.808 -3.310 -8.411 1.00 0.00 H new ATOM 563 N ASN A 42 -8.124 -7.383 -3.263 1.00 0.00 N ATOM 564 CA ASN A 42 -8.196 -8.851 -3.318 1.00 0.00 C ATOM 565 C ASN A 42 -7.196 -9.398 -4.342 1.00 0.00 C ATOM 566 O ASN A 42 -7.517 -10.295 -5.125 1.00 0.00 O ATOM 567 CB ASN A 42 -9.622 -9.296 -3.718 1.00 0.00 C ATOM 568 CG ASN A 42 -10.735 -8.476 -3.118 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.367 -8.872 -2.142 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.986 -7.330 -3.749 1.00 0.00 N ATOM 0 H ASN A 42 -8.016 -6.996 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.951 -9.243 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.707 -9.258 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.758 -10.337 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.741 -6.725 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.423 -7.058 -4.555 1.00 0.00 H new ATOM 577 N GLY A 43 -5.986 -8.855 -4.333 1.00 0.00 N ATOM 578 CA GLY A 43 -4.984 -9.281 -5.298 1.00 0.00 C ATOM 579 C GLY A 43 -5.178 -8.706 -6.699 1.00 0.00 C ATOM 580 O GLY A 43 -4.732 -9.306 -7.676 1.00 0.00 O ATOM 0 H GLY A 43 -5.679 -8.133 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.998 -8.992 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.995 -10.369 -5.360 1.00 0.00 H new ATOM 584 N GLU A 44 -5.821 -7.551 -6.805 1.00 0.00 N ATOM 585 CA GLU A 44 -6.127 -6.950 -8.105 1.00 0.00 C ATOM 586 C GLU A 44 -5.641 -5.496 -8.121 1.00 0.00 C ATOM 587 O GLU A 44 -6.098 -4.678 -7.326 1.00 0.00 O ATOM 588 CB GLU A 44 -7.644 -7.056 -8.360 1.00 0.00 C ATOM 589 CG GLU A 44 -8.131 -6.516 -9.699 1.00 0.00 C ATOM 590 CD GLU A 44 -8.942 -5.245 -9.544 1.00 0.00 C ATOM 591 OE1 GLU A 44 -10.018 -5.298 -8.910 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.529 -4.201 -10.082 1.00 0.00 O ATOM 0 H GLU A 44 -6.144 -7.006 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.611 -7.479 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.933 -8.104 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.165 -6.524 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.274 -6.321 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.738 -7.274 -10.195 1.00 0.00 H new ATOM 599 N ARG A 45 -4.666 -5.208 -8.986 1.00 0.00 N ATOM 600 CA ARG A 45 -4.030 -3.896 -9.041 1.00 0.00 C ATOM 601 C ARG A 45 -5.051 -2.782 -9.304 1.00 0.00 C ATOM 602 O ARG A 45 -5.715 -2.751 -10.340 1.00 0.00 O ATOM 603 CB ARG A 45 -2.924 -3.883 -10.122 1.00 0.00 C ATOM 604 CG ARG A 45 -1.841 -2.839 -9.861 1.00 0.00 C ATOM 605 CD ARG A 45 -0.627 -2.953 -10.802 1.00 0.00 C ATOM 606 NE ARG A 45 0.496 -3.643 -10.170 1.00 0.00 N ATOM 607 CZ ARG A 45 1.304 -4.482 -10.806 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.002 -4.911 -12.026 1.00 0.00 N ATOM 609 NH2 ARG A 45 2.407 -4.906 -10.206 1.00 0.00 N ATOM 0 H ARG A 45 -4.299 -5.876 -9.664 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.578 -3.704 -8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.464 -4.870 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.378 -3.692 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.276 -1.845 -9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.500 -2.933 -8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.918 -3.488 -11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.312 -1.956 -11.110 1.00 0.00 H new ATOM 0 HE ARG A 45 0.669 -3.469 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.145 -4.596 -12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.627 -5.556 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.629 -4.587 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.034 -5.551 -10.687 1.00 0.00 H new ATOM 623 N ILE A 46 -5.132 -1.863 -8.333 1.00 0.00 N ATOM 624 CA ILE A 46 -6.089 -0.760 -8.343 1.00 0.00 C ATOM 625 C ILE A 46 -5.930 0.136 -9.565 1.00 0.00 C ATOM 626 O ILE A 46 -6.853 0.211 -10.368 1.00 0.00 O ATOM 627 CB ILE A 46 -5.978 0.069 -7.038 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.320 -0.830 -5.846 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.898 1.293 -7.074 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.183 -0.179 -4.492 1.00 0.00 C ATOM 0 H ILE A 46 -4.527 -1.869 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 46 -7.085 -1.200 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.957 0.437 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.345 -1.183 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.675 -1.708 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.796 1.852 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.622 1.931 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.932 0.968 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.447 -0.896 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.153 0.149 -4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.849 0.682 -4.433 1.00 0.00 H new ATOM 642 N GLU A 47 -4.830 0.910 -9.586 1.00 0.00 N ATOM 643 CA GLU A 47 -4.275 1.588 -10.788 1.00 0.00 C ATOM 644 C GLU A 47 -3.899 3.026 -10.446 1.00 0.00 C ATOM 645 O GLU A 47 -2.888 3.536 -10.924 1.00 0.00 O ATOM 646 CB GLU A 47 -5.212 1.633 -12.015 1.00 0.00 C ATOM 647 CG GLU A 47 -5.412 0.302 -12.731 1.00 0.00 C ATOM 648 CD GLU A 47 -6.078 0.462 -14.080 1.00 0.00 C ATOM 649 OE1 GLU A 47 -7.326 0.559 -14.115 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.365 0.489 -15.104 1.00 0.00 O ATOM 0 H GLU A 47 -4.281 1.091 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.413 0.982 -11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.185 2.004 -11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.815 2.355 -12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.446 -0.185 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.017 -0.355 -12.107 1.00 0.00 H new ATOM 657 N LYS A 48 -4.704 3.683 -9.606 1.00 0.00 N ATOM 658 CA LYS A 48 -4.519 5.106 -9.323 1.00 0.00 C ATOM 659 C LYS A 48 -3.459 5.328 -8.250 1.00 0.00 C ATOM 660 O LYS A 48 -3.713 6.013 -7.263 1.00 0.00 O ATOM 661 CB LYS A 48 -5.837 5.743 -8.838 1.00 0.00 C ATOM 662 CG LYS A 48 -7.069 5.471 -9.713 1.00 0.00 C ATOM 663 CD LYS A 48 -6.782 5.704 -11.189 1.00 0.00 C ATOM 664 CE LYS A 48 -6.332 7.140 -11.456 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.391 8.130 -11.123 1.00 0.00 N ATOM 0 H LYS A 48 -5.486 3.253 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.197 5.573 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.044 5.384 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.694 6.821 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.398 4.443 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.888 6.117 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.009 5.012 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.677 5.488 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.439 7.354 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.057 7.244 -12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.089 9.077 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.273 7.873 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.553 8.133 -10.096 1.00 0.00 H new ATOM 679 N VAL A 49 -2.265 4.802 -8.450 1.00 0.00 N ATOM 680 CA VAL A 49 -1.239 4.913 -7.431 1.00 0.00 C ATOM 681 C VAL A 49 0.038 5.489 -8.032 1.00 0.00 C ATOM 682 O VAL A 49 0.516 5.035 -9.075 1.00 0.00 O ATOM 683 CB VAL A 49 -0.974 3.555 -6.712 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.470 3.105 -6.836 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.365 3.652 -5.246 1.00 0.00 C ATOM 0 H VAL A 49 -1.985 4.302 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.601 5.599 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.590 2.805 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.601 2.155 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.724 2.982 -7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.124 3.854 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.175 2.698 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.776 4.432 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.424 3.896 -5.167 1.00 0.00 H new ATOM 695 N GLU A 50 0.552 6.523 -7.385 1.00 0.00 N ATOM 696 CA GLU A 50 1.766 7.195 -7.845 1.00 0.00 C ATOM 697 C GLU A 50 2.561 7.762 -6.673 1.00 0.00 C ATOM 698 O GLU A 50 2.089 8.667 -5.986 1.00 0.00 O ATOM 699 CB GLU A 50 1.445 8.358 -8.800 1.00 0.00 C ATOM 700 CG GLU A 50 0.697 8.003 -10.086 1.00 0.00 C ATOM 701 CD GLU A 50 0.643 9.182 -11.026 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.166 10.100 -10.794 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.443 9.211 -11.986 1.00 0.00 O ATOM 0 H GLU A 50 0.149 6.919 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 50 2.352 6.439 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.854 9.093 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.382 8.842 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.190 7.164 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.316 7.680 -9.844 1.00 0.00 H new ATOM 710 N HIS A 51 3.756 7.228 -6.441 1.00 0.00 N ATOM 711 CA HIS A 51 4.680 7.811 -5.483 1.00 0.00 C ATOM 712 C HIS A 51 6.070 7.236 -5.729 1.00 0.00 C ATOM 713 O HIS A 51 6.200 6.081 -6.135 1.00 0.00 O ATOM 714 CB HIS A 51 4.229 7.530 -4.042 1.00 0.00 C ATOM 715 CG HIS A 51 4.425 8.690 -3.110 1.00 0.00 C ATOM 716 ND1 HIS A 51 3.657 8.833 -1.985 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.319 9.710 -3.163 1.00 0.00 C ATOM 718 CE1 HIS A 51 4.098 9.918 -1.378 1.00 0.00 C ATOM 719 NE2 HIS A 51 5.107 10.486 -2.055 1.00 0.00 N ATOM 0 H HIS A 51 4.105 6.390 -6.906 1.00 0.00 H new ATOM 0 HA HIS A 51 4.700 8.893 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.174 7.255 -4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.780 6.671 -3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.057 9.878 -3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.697 10.301 -0.451 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.617 11.331 -1.795 1.00 0.00 H new ATOM 727 N SER A 52 7.098 8.040 -5.527 1.00 0.00 N ATOM 728 CA SER A 52 8.469 7.577 -5.706 1.00 0.00 C ATOM 729 C SER A 52 9.425 8.522 -4.987 1.00 0.00 C ATOM 730 O SER A 52 9.266 9.741 -5.071 1.00 0.00 O ATOM 731 CB SER A 52 8.811 7.512 -7.199 1.00 0.00 C ATOM 732 OG SER A 52 10.015 6.795 -7.420 1.00 0.00 O ATOM 0 H SER A 52 7.014 9.015 -5.240 1.00 0.00 H new ATOM 0 HA SER A 52 8.570 6.578 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.995 7.033 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.908 8.522 -7.597 1.00 0.00 H new ATOM 0 HG SER A 52 10.208 6.768 -8.380 1.00 0.00 H new ATOM 738 N ASP A 53 10.397 7.973 -4.266 1.00 0.00 N ATOM 739 CA ASP A 53 11.364 8.802 -3.563 1.00 0.00 C ATOM 740 C ASP A 53 12.786 8.278 -3.723 1.00 0.00 C ATOM 741 O ASP A 53 13.003 7.095 -3.986 1.00 0.00 O ATOM 742 CB ASP A 53 11.007 8.969 -2.077 1.00 0.00 C ATOM 743 CG ASP A 53 10.537 7.691 -1.410 1.00 0.00 C ATOM 744 OD1 ASP A 53 11.086 6.614 -1.711 1.00 0.00 O ATOM 745 OD2 ASP A 53 9.613 7.776 -0.566 1.00 0.00 O ATOM 0 H ASP A 53 10.534 6.968 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 53 11.320 9.788 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.880 9.345 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.226 9.724 -1.984 1.00 0.00 H new ATOM 750 N LEU A 54 13.718 9.224 -3.572 1.00 0.00 N ATOM 751 CA LEU A 54 15.185 9.064 -3.786 1.00 0.00 C ATOM 752 C LEU A 54 15.555 8.257 -5.041 1.00 0.00 C ATOM 753 O LEU A 54 14.704 7.774 -5.785 1.00 0.00 O ATOM 754 CB LEU A 54 15.984 8.554 -2.531 1.00 0.00 C ATOM 755 CG LEU A 54 15.599 7.220 -1.833 1.00 0.00 C ATOM 756 CD1 LEU A 54 14.305 7.338 -1.034 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.530 6.054 -2.814 1.00 0.00 C ATOM 0 H LEU A 54 13.473 10.171 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 54 15.510 10.090 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 54 17.029 8.470 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.930 9.338 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 54 16.401 7.007 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 54 14.078 6.380 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.421 8.101 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.490 7.617 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.258 5.144 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.781 6.264 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.502 5.919 -3.288 1.00 0.00 H new ATOM 769 N SER A 55 16.848 8.199 -5.319 1.00 0.00 N ATOM 770 CA SER A 55 17.360 7.416 -6.431 1.00 0.00 C ATOM 771 C SER A 55 18.149 6.210 -5.928 1.00 0.00 C ATOM 772 O SER A 55 18.127 5.141 -6.536 1.00 0.00 O ATOM 773 CB SER A 55 18.230 8.290 -7.331 1.00 0.00 C ATOM 774 OG SER A 55 17.487 9.386 -7.844 1.00 0.00 O ATOM 0 H SER A 55 17.566 8.689 -4.785 1.00 0.00 H new ATOM 0 HA SER A 55 16.515 7.046 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.088 8.658 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.622 7.694 -8.155 1.00 0.00 H new ATOM 0 HG SER A 55 18.064 9.933 -8.416 1.00 0.00 H new ATOM 780 N PHE A 56 18.846 6.392 -4.811 1.00 0.00 N ATOM 781 CA PHE A 56 19.661 5.336 -4.227 1.00 0.00 C ATOM 782 C PHE A 56 19.437 5.275 -2.724 1.00 0.00 C ATOM 783 O PHE A 56 19.286 6.309 -2.071 1.00 0.00 O ATOM 784 CB PHE A 56 21.149 5.574 -4.509 1.00 0.00 C ATOM 785 CG PHE A 56 21.537 5.396 -5.948 1.00 0.00 C ATOM 786 CD1 PHE A 56 21.596 6.483 -6.808 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.847 4.140 -6.439 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.958 6.317 -8.130 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.209 3.968 -7.761 1.00 0.00 C ATOM 790 CZ PHE A 56 22.264 5.058 -8.607 1.00 0.00 C ATOM 0 H PHE A 56 18.861 7.269 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 56 19.364 4.390 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.410 6.585 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.737 4.890 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.356 7.469 -6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.805 3.284 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 56 22.002 7.171 -8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.449 2.983 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 56 22.546 4.926 -9.641 1.00 0.00 H new ATOM 800 N SER A 57 19.421 4.070 -2.179 1.00 0.00 N ATOM 801 CA SER A 57 19.199 3.886 -0.758 1.00 0.00 C ATOM 802 C SER A 57 20.119 2.807 -0.200 1.00 0.00 C ATOM 803 O SER A 57 20.612 1.947 -0.932 1.00 0.00 O ATOM 804 CB SER A 57 17.733 3.526 -0.496 1.00 0.00 C ATOM 805 OG SER A 57 17.490 3.312 0.886 1.00 0.00 O ATOM 0 H SER A 57 19.559 3.205 -2.701 1.00 0.00 H new ATOM 0 HA SER A 57 19.428 4.823 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.090 4.327 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.472 2.628 -1.056 1.00 0.00 H new ATOM 0 HG SER A 57 16.955 4.052 1.242 1.00 0.00 H new ATOM 811 N LYS A 58 20.354 2.882 1.100 1.00 0.00 N ATOM 812 CA LYS A 58 21.132 1.887 1.820 1.00 0.00 C ATOM 813 C LYS A 58 20.675 1.856 3.273 1.00 0.00 C ATOM 814 O LYS A 58 21.048 2.738 4.052 1.00 0.00 O ATOM 815 CB LYS A 58 22.631 2.210 1.769 1.00 0.00 C ATOM 816 CG LYS A 58 23.477 1.243 2.582 1.00 0.00 C ATOM 817 CD LYS A 58 24.859 1.803 2.868 1.00 0.00 C ATOM 818 CE LYS A 58 25.609 0.918 3.844 1.00 0.00 C ATOM 819 NZ LYS A 58 26.926 1.491 4.215 1.00 0.00 N ATOM 0 H LYS A 58 20.008 3.640 1.689 1.00 0.00 H new ATOM 0 HA LYS A 58 20.975 0.917 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.965 2.192 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.791 3.223 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.973 1.022 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.572 0.301 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.422 1.885 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.771 2.809 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.008 0.779 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.754 -0.068 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.406 0.855 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.510 1.600 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.787 2.420 4.661 1.00 0.00 H new ATOM 833 N ASP A 59 19.877 0.844 3.626 1.00 0.00 N ATOM 834 CA ASP A 59 19.272 0.739 4.959 1.00 0.00 C ATOM 835 C ASP A 59 18.718 2.091 5.404 1.00 0.00 C ATOM 836 O ASP A 59 19.074 2.617 6.459 1.00 0.00 O ATOM 837 CB ASP A 59 20.299 0.205 5.961 1.00 0.00 C ATOM 838 CG ASP A 59 19.654 -0.432 7.177 1.00 0.00 C ATOM 839 OD1 ASP A 59 18.970 -1.470 7.016 1.00 0.00 O ATOM 840 OD2 ASP A 59 19.848 0.079 8.294 1.00 0.00 O ATOM 0 H ASP A 59 19.632 0.077 3.000 1.00 0.00 H new ATOM 0 HA ASP A 59 18.440 0.037 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.936 -0.529 5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.945 1.022 6.283 1.00 0.00 H new ATOM 845 N TRP A 60 17.849 2.650 4.572 1.00 0.00 N ATOM 846 CA TRP A 60 17.387 4.018 4.744 1.00 0.00 C ATOM 847 C TRP A 60 16.108 4.255 3.935 1.00 0.00 C ATOM 848 O TRP A 60 16.152 4.641 2.767 1.00 0.00 O ATOM 849 CB TRP A 60 18.517 4.967 4.310 1.00 0.00 C ATOM 850 CG TRP A 60 18.132 6.406 4.156 1.00 0.00 C ATOM 851 CD1 TRP A 60 17.788 7.292 5.145 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.080 7.139 2.920 1.00 0.00 C ATOM 853 NE1 TRP A 60 17.523 8.522 4.596 1.00 0.00 N ATOM 854 CE2 TRP A 60 17.692 8.454 3.235 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.323 6.808 1.572 1.00 0.00 C ATOM 856 CZ2 TRP A 60 17.541 9.441 2.261 1.00 0.00 C ATOM 857 CZ3 TRP A 60 18.169 7.787 0.613 1.00 0.00 C ATOM 858 CH2 TRP A 60 17.782 9.089 0.958 1.00 0.00 C ATOM 0 H TRP A 60 17.448 2.171 3.766 1.00 0.00 H new ATOM 0 HA TRP A 60 17.142 4.208 5.789 1.00 0.00 H new ATOM 0 HB2 TRP A 60 19.323 4.902 5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 60 18.919 4.614 3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 60 17.734 7.057 6.198 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.245 9.354 5.116 1.00 0.00 H new ATOM 0 HE3 TRP A 60 18.624 5.808 1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 17.245 10.446 2.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 18.350 7.546 -0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 60 17.671 9.831 0.181 1.00 0.00 H new ATOM 869 N SER A 61 14.967 3.985 4.554 1.00 0.00 N ATOM 870 CA SER A 61 13.684 4.205 3.901 1.00 0.00 C ATOM 871 C SER A 61 12.969 5.412 4.485 1.00 0.00 C ATOM 872 O SER A 61 12.072 5.967 3.858 1.00 0.00 O ATOM 873 CB SER A 61 12.792 2.971 4.053 1.00 0.00 C ATOM 874 OG SER A 61 12.636 2.615 5.420 1.00 0.00 O ATOM 0 H SER A 61 14.903 3.615 5.502 1.00 0.00 H new ATOM 0 HA SER A 61 13.879 4.390 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.815 3.169 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.226 2.135 3.504 1.00 0.00 H new ATOM 0 HG SER A 61 11.717 2.804 5.704 1.00 0.00 H new ATOM 880 N PHE A 62 13.395 5.798 5.693 1.00 0.00 N ATOM 881 CA PHE A 62 12.697 6.783 6.523 1.00 0.00 C ATOM 882 C PHE A 62 11.195 6.491 6.580 1.00 0.00 C ATOM 883 O PHE A 62 10.753 5.736 7.445 1.00 0.00 O ATOM 884 CB PHE A 62 13.019 8.260 6.164 1.00 0.00 C ATOM 885 CG PHE A 62 12.976 8.643 4.703 1.00 0.00 C ATOM 886 CD1 PHE A 62 14.090 8.474 3.895 1.00 0.00 C ATOM 887 CD2 PHE A 62 11.834 9.199 4.148 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.062 8.848 2.565 1.00 0.00 C ATOM 889 CE2 PHE A 62 11.798 9.571 2.818 1.00 0.00 C ATOM 890 CZ PHE A 62 12.915 9.395 2.026 1.00 0.00 C ATOM 0 H PHE A 62 14.243 5.431 6.125 1.00 0.00 H new ATOM 0 HA PHE A 62 13.092 6.667 7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.317 8.898 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.014 8.490 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.990 8.045 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.959 9.344 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.937 8.712 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.899 9.998 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.891 9.685 0.986 1.00 0.00 H new ATOM 900 N TYR A 63 10.417 7.051 5.672 1.00 0.00 N ATOM 901 CA TYR A 63 8.993 6.777 5.617 1.00 0.00 C ATOM 902 C TYR A 63 8.549 6.567 4.166 1.00 0.00 C ATOM 903 O TYR A 63 8.541 7.508 3.373 1.00 0.00 O ATOM 904 CB TYR A 63 8.242 7.947 6.268 1.00 0.00 C ATOM 905 CG TYR A 63 6.738 7.738 6.431 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.239 6.872 7.402 1.00 0.00 C ATOM 907 CD2 TYR A 63 5.818 8.417 5.630 1.00 0.00 C ATOM 908 CE1 TYR A 63 4.874 6.687 7.570 1.00 0.00 C ATOM 909 CE2 TYR A 63 4.449 8.231 5.793 1.00 0.00 C ATOM 910 CZ TYR A 63 3.988 7.366 6.764 1.00 0.00 C ATOM 911 OH TYR A 63 2.633 7.188 6.940 1.00 0.00 O ATOM 0 H TYR A 63 10.749 7.701 4.960 1.00 0.00 H new ATOM 0 HA TYR A 63 8.765 5.861 6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.676 8.136 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.406 8.843 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.928 6.334 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.175 9.098 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.508 6.013 8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.750 8.761 5.163 1.00 0.00 H new ATOM 0 HH TYR A 63 2.160 8.008 6.688 1.00 0.00 H new ATOM 921 N LEU A 64 8.184 5.327 3.830 1.00 0.00 N ATOM 922 CA LEU A 64 7.695 4.998 2.490 1.00 0.00 C ATOM 923 C LEU A 64 6.181 4.831 2.519 1.00 0.00 C ATOM 924 O LEU A 64 5.648 4.039 3.303 1.00 0.00 O ATOM 925 CB LEU A 64 8.303 3.671 2.008 1.00 0.00 C ATOM 926 CG LEU A 64 9.622 3.721 1.221 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.213 2.317 1.148 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.385 4.270 -0.185 1.00 0.00 C ATOM 0 H LEU A 64 8.218 4.533 4.470 1.00 0.00 H new ATOM 0 HA LEU A 64 7.981 5.807 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.461 3.040 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.562 3.172 1.384 1.00 0.00 H new ATOM 0 HG LEU A 64 10.321 4.384 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.149 2.345 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.402 1.949 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.511 1.652 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.329 4.299 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.682 3.626 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.974 5.277 -0.118 1.00 0.00 H new ATOM 940 N LEU A 65 5.502 5.584 1.671 1.00 0.00 N ATOM 941 CA LEU A 65 4.052 5.520 1.554 1.00 0.00 C ATOM 942 C LEU A 65 3.636 5.807 0.114 1.00 0.00 C ATOM 943 O LEU A 65 4.323 6.531 -0.594 1.00 0.00 O ATOM 944 CB LEU A 65 3.429 6.555 2.507 1.00 0.00 C ATOM 945 CG LEU A 65 1.910 6.706 2.448 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.236 5.412 2.858 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.457 7.852 3.340 1.00 0.00 C ATOM 0 H LEU A 65 5.939 6.258 1.043 1.00 0.00 H new ATOM 0 HA LEU A 65 3.701 4.524 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.706 6.290 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.877 7.526 2.297 1.00 0.00 H new ATOM 0 HG LEU A 65 1.621 6.934 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.154 5.535 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.540 4.613 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.528 5.156 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.372 7.947 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.754 7.651 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.919 8.780 3.003 1.00 0.00 H new ATOM 959 N TYR A 66 2.537 5.200 -0.319 1.00 0.00 N ATOM 960 CA TYR A 66 1.958 5.469 -1.634 1.00 0.00 C ATOM 961 C TYR A 66 0.485 5.828 -1.451 1.00 0.00 C ATOM 962 O TYR A 66 -0.104 5.479 -0.427 1.00 0.00 O ATOM 963 CB TYR A 66 2.104 4.235 -2.548 1.00 0.00 C ATOM 964 CG TYR A 66 3.546 3.923 -2.923 1.00 0.00 C ATOM 965 CD1 TYR A 66 3.994 4.074 -4.230 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.461 3.478 -1.975 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.299 3.793 -4.581 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.772 3.200 -2.321 1.00 0.00 C ATOM 969 CZ TYR A 66 6.182 3.357 -3.625 1.00 0.00 C ATOM 970 OH TYR A 66 7.485 3.078 -3.975 1.00 0.00 O ATOM 0 H TYR A 66 2.022 4.510 0.228 1.00 0.00 H new ATOM 0 HA TYR A 66 2.483 6.299 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.672 3.369 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.527 4.397 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.306 4.419 -4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.143 3.347 -0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.624 3.916 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.471 2.861 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 66 7.980 2.782 -3.183 1.00 0.00 H new ATOM 980 N TYR A 67 -0.119 6.518 -2.419 1.00 0.00 N ATOM 981 CA TYR A 67 -1.507 6.950 -2.260 1.00 0.00 C ATOM 982 C TYR A 67 -2.372 6.605 -3.479 1.00 0.00 C ATOM 983 O TYR A 67 -1.935 6.749 -4.621 1.00 0.00 O ATOM 984 CB TYR A 67 -1.599 8.455 -1.942 1.00 0.00 C ATOM 985 CG TYR A 67 -0.761 9.374 -2.820 1.00 0.00 C ATOM 986 CD1 TYR A 67 -1.218 9.803 -4.062 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.479 9.832 -2.389 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.463 10.656 -4.848 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.239 10.684 -3.172 1.00 0.00 C ATOM 990 CZ TYR A 67 0.764 11.092 -4.397 1.00 0.00 C ATOM 991 OH TYR A 67 1.520 11.945 -5.172 1.00 0.00 O ATOM 0 H TYR A 67 0.318 6.785 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.904 6.394 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.642 8.760 -2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.302 8.606 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.179 9.464 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.856 9.518 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.834 10.978 -5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.201 11.027 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 67 2.356 12.156 -4.706 1.00 0.00 H new ATOM 1001 N THR A 68 -3.596 6.133 -3.216 1.00 0.00 N ATOM 1002 CA THR A 68 -4.590 5.902 -4.265 1.00 0.00 C ATOM 1003 C THR A 68 -5.972 6.317 -3.765 1.00 0.00 C ATOM 1004 O THR A 68 -6.299 6.143 -2.586 1.00 0.00 O ATOM 1005 CB THR A 68 -4.657 4.420 -4.745 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.467 4.319 -5.923 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.251 3.496 -3.695 1.00 0.00 C ATOM 0 H THR A 68 -3.922 5.903 -2.277 1.00 0.00 H new ATOM 0 HA THR A 68 -4.279 6.505 -5.118 1.00 0.00 H new ATOM 0 HB THR A 68 -3.630 4.114 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.255 3.487 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.275 2.476 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.640 3.530 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.265 3.818 -3.458 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.756 6.902 -4.659 1.00 0.00 N ATOM 1016 CA GLU A 69 -8.158 7.215 -4.387 1.00 0.00 C ATOM 1017 C GLU A 69 -8.961 5.922 -4.226 1.00 0.00 C ATOM 1018 O GLU A 69 -8.767 4.978 -4.995 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.746 8.040 -5.546 1.00 0.00 C ATOM 1020 CG GLU A 69 -10.241 8.311 -5.428 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.784 9.033 -6.642 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -11.561 9.995 -6.472 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.422 8.654 -7.774 1.00 0.00 O ATOM 0 H GLU A 69 -6.443 7.174 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.216 7.793 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.219 8.993 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.557 7.515 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.771 7.367 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.432 8.908 -4.536 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.845 5.866 -3.230 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.681 4.687 -3.036 1.00 0.00 C ATOM 1032 C PHE A 70 -12.124 5.073 -2.749 1.00 0.00 C ATOM 1033 O PHE A 70 -12.409 6.217 -2.411 1.00 0.00 O ATOM 1034 CB PHE A 70 -10.125 3.810 -1.897 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.284 4.350 -0.489 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.180 4.479 0.337 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.526 4.704 0.016 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.320 4.950 1.635 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.664 5.178 1.300 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.565 5.297 2.110 1.00 0.00 C ATOM 0 H PHE A 70 -9.998 6.614 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.664 4.112 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.613 2.837 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.064 3.644 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.201 4.211 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.401 4.606 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.453 5.044 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.640 5.457 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.675 5.663 3.120 1.00 0.00 H new ATOM 1050 N THR A 71 -13.029 4.124 -2.930 1.00 0.00 N ATOM 1051 CA THR A 71 -14.381 4.239 -2.412 1.00 0.00 C ATOM 1052 C THR A 71 -14.843 2.878 -1.870 1.00 0.00 C ATOM 1053 O THR A 71 -15.009 1.936 -2.642 1.00 0.00 O ATOM 1054 CB THR A 71 -15.326 4.739 -3.526 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.814 5.964 -4.071 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.728 4.974 -2.998 1.00 0.00 C ATOM 0 H THR A 71 -12.848 3.258 -3.437 1.00 0.00 H new ATOM 0 HA THR A 71 -14.401 4.961 -1.596 1.00 0.00 H new ATOM 0 HB THR A 71 -15.376 3.972 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.412 6.282 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.368 5.325 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 71 -17.127 4.042 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.698 5.724 -2.208 1.00 0.00 H new ATOM 1064 N PRO A 72 -15.016 2.724 -0.531 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.370 1.430 0.050 1.00 0.00 C ATOM 1066 C PRO A 72 -16.798 1.025 -0.243 1.00 0.00 C ATOM 1067 O PRO A 72 -17.720 1.838 -0.222 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.161 1.593 1.562 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.797 3.030 1.807 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.883 3.778 0.501 1.00 0.00 C ATOM 0 HA PRO A 72 -14.753 0.641 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.067 1.327 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.371 0.930 1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.472 3.471 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.790 3.100 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.738 4.454 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.993 4.385 0.334 1.00 0.00 H new ATOM 1078 N THR A 73 -16.935 -0.252 -0.527 1.00 0.00 N ATOM 1079 CA THR A 73 -18.204 -0.881 -0.828 1.00 0.00 C ATOM 1080 C THR A 73 -18.326 -2.138 0.025 1.00 0.00 C ATOM 1081 O THR A 73 -17.327 -2.607 0.567 1.00 0.00 O ATOM 1082 CB THR A 73 -18.259 -1.270 -2.317 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.244 -2.250 -2.574 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.039 -0.053 -3.206 1.00 0.00 C ATOM 0 H THR A 73 -16.147 -0.899 -0.556 1.00 0.00 H new ATOM 0 HA THR A 73 -19.020 -0.191 -0.614 1.00 0.00 H new ATOM 0 HB THR A 73 -19.244 -1.679 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.048 -2.274 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.082 -0.354 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.815 0.687 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.062 0.381 -2.994 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.531 -2.670 0.167 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.737 -3.943 0.856 1.00 0.00 C ATOM 1094 C GLU A 74 -19.017 -5.116 0.137 1.00 0.00 C ATOM 1095 O GLU A 74 -18.942 -6.226 0.663 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.261 -4.186 0.998 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.647 -5.601 1.381 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.406 -5.893 2.849 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -22.201 -5.420 3.687 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.429 -6.598 3.176 1.00 0.00 O ATOM 0 H GLU A 74 -20.386 -2.241 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.291 -3.894 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.655 -3.501 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.744 -3.936 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.700 -5.762 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.077 -6.306 0.776 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.440 -4.867 -1.038 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.850 -5.952 -1.828 1.00 0.00 C ATOM 1109 C LYS A 75 -16.312 -5.917 -1.943 1.00 0.00 C ATOM 1110 O LYS A 75 -15.692 -6.979 -2.013 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.458 -5.974 -3.239 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.981 -6.147 -3.300 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.419 -7.610 -3.295 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.196 -8.289 -1.953 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.946 -9.567 -1.841 1.00 0.00 N ATOM 0 H LYS A 75 -18.368 -3.941 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.091 -6.861 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.195 -5.044 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.995 -6.784 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.433 -5.636 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.360 -5.664 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.476 -7.669 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.870 -8.151 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.132 -8.481 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.504 -7.617 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.765 -9.995 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.964 -9.382 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.635 -10.219 -2.589 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.681 -4.741 -1.967 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.272 -4.669 -2.344 1.00 0.00 C ATOM 1131 C ASP A 76 -13.330 -4.600 -1.126 1.00 0.00 C ATOM 1132 O ASP A 76 -13.512 -3.787 -0.227 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.026 -3.469 -3.263 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.882 -3.478 -4.518 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.629 -4.316 -5.407 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.789 -2.625 -4.636 1.00 0.00 O ATOM 0 H ASP A 76 -16.113 -3.846 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.043 -5.593 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.220 -2.551 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.975 -3.452 -3.551 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.320 -5.465 -1.152 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.275 -5.590 -0.121 1.00 0.00 C ATOM 1143 C GLU A 77 -10.052 -4.780 -0.577 1.00 0.00 C ATOM 1144 O GLU A 77 -9.790 -4.697 -1.782 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.969 -7.104 -0.002 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.782 -7.549 0.848 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.494 -7.709 0.048 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.921 -6.710 -0.415 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.062 -8.875 -0.128 1.00 0.00 O ATOM 0 H GLU A 77 -12.195 -6.127 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.576 -5.203 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.860 -7.591 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.817 -7.490 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.620 -6.821 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.023 -8.497 1.329 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.333 -4.158 0.354 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.146 -3.361 0.001 1.00 0.00 C ATOM 1158 C TYR A 78 -6.877 -3.936 0.635 1.00 0.00 C ATOM 1159 O TYR A 78 -6.820 -4.167 1.845 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.332 -1.898 0.425 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.385 -1.171 -0.379 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.734 -1.376 -0.130 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -9.028 -0.298 -1.400 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.703 -0.734 -0.881 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.990 0.352 -2.150 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.327 0.127 -1.888 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.289 0.763 -2.639 1.00 0.00 O ATOM 0 H TYR A 78 -9.543 -4.185 1.352 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.032 -3.404 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.603 -1.865 1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.382 -1.374 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.033 -2.047 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.983 -0.125 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.750 -0.907 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.698 1.032 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.120 0.823 -2.123 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.853 -4.146 -0.194 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.607 -4.767 0.242 1.00 0.00 C ATOM 1179 C ALA A 79 -3.386 -4.020 -0.301 1.00 0.00 C ATOM 1180 O ALA A 79 -3.507 -3.236 -1.236 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.585 -6.214 -0.222 1.00 0.00 C ATOM 0 H ALA A 79 -5.866 -3.891 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.559 -4.723 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.656 -6.685 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.432 -6.748 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.651 -6.248 -1.309 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.213 -4.238 0.296 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.977 -3.693 -0.259 1.00 0.00 C ATOM 1189 C CYS A 80 0.072 -4.796 -0.431 1.00 0.00 C ATOM 1190 O CYS A 80 0.307 -5.584 0.486 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.425 -2.563 0.607 1.00 0.00 C ATOM 1192 SG CYS A 80 1.183 -1.926 0.032 1.00 0.00 S ATOM 0 H CYS A 80 -2.095 -4.780 1.152 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.212 -3.278 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.145 -1.745 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.320 -2.919 1.632 1.00 0.00 H new ATOM 1197 N ARG A 81 0.668 -4.861 -1.622 1.00 0.00 N ATOM 1198 CA ARG A 81 1.623 -5.917 -1.987 1.00 0.00 C ATOM 1199 C ARG A 81 3.044 -5.364 -2.019 1.00 0.00 C ATOM 1200 O ARG A 81 3.290 -4.359 -2.679 1.00 0.00 O ATOM 1201 CB ARG A 81 1.261 -6.440 -3.382 1.00 0.00 C ATOM 1202 CG ARG A 81 1.800 -7.826 -3.729 1.00 0.00 C ATOM 1203 CD ARG A 81 1.040 -8.422 -4.923 1.00 0.00 C ATOM 1204 NE ARG A 81 1.172 -7.579 -6.115 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.266 -8.047 -7.356 1.00 0.00 C ATOM 1206 NH1 ARG A 81 1.264 -9.354 -7.579 1.00 0.00 N ATOM 1207 NH2 ARG A 81 1.394 -7.207 -8.374 1.00 0.00 N ATOM 0 H ARG A 81 0.504 -4.182 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 81 1.573 -6.717 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.175 -6.459 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.630 -5.731 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.862 -7.760 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.705 -8.485 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.421 -9.420 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.014 -8.531 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 81 1.193 -6.568 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.190 -10.005 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.336 -9.709 -8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.420 -6.201 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.466 -7.566 -9.326 1.00 0.00 H new ATOM 1221 N VAL A 82 3.978 -6.006 -1.323 1.00 0.00 N ATOM 1222 CA VAL A 82 5.368 -5.557 -1.372 1.00 0.00 C ATOM 1223 C VAL A 82 6.336 -6.716 -1.606 1.00 0.00 C ATOM 1224 O VAL A 82 6.173 -7.812 -1.064 1.00 0.00 O ATOM 1225 CB VAL A 82 5.783 -4.773 -0.099 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.147 -5.707 1.042 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.934 -3.833 -0.405 1.00 0.00 C ATOM 0 H VAL A 82 3.806 -6.819 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 82 5.429 -4.877 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 82 4.923 -4.184 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.432 -5.121 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.289 -6.332 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.982 -6.340 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.212 -3.291 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.789 -4.408 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.629 -3.123 -1.174 1.00 0.00 H new ATOM 1237 N ASN A 83 7.323 -6.453 -2.450 1.00 0.00 N ATOM 1238 CA ASN A 83 8.368 -7.422 -2.750 1.00 0.00 C ATOM 1239 C ASN A 83 9.739 -6.787 -2.687 1.00 0.00 C ATOM 1240 O ASN A 83 9.926 -5.628 -3.064 1.00 0.00 O ATOM 1241 CB ASN A 83 8.164 -8.044 -4.136 1.00 0.00 C ATOM 1242 CG ASN A 83 9.035 -9.274 -4.351 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.368 -9.987 -3.403 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.408 -9.534 -5.596 1.00 0.00 N ATOM 0 H ASN A 83 7.422 -5.566 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 83 8.304 -8.204 -1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.116 -8.318 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.391 -7.302 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.990 -10.348 -5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.113 -8.921 -6.356 1.00 0.00 H new ATOM 1251 N HIS A 84 10.686 -7.561 -2.198 1.00 0.00 N ATOM 1252 CA HIS A 84 12.084 -7.195 -2.222 1.00 0.00 C ATOM 1253 C HIS A 84 12.854 -8.410 -2.707 1.00 0.00 C ATOM 1254 O HIS A 84 12.380 -9.544 -2.585 1.00 0.00 O ATOM 1255 CB HIS A 84 12.573 -6.766 -0.831 1.00 0.00 C ATOM 1256 CG HIS A 84 13.888 -6.027 -0.844 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.086 -6.687 -0.981 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.131 -4.700 -0.728 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.023 -5.756 -0.946 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.493 -4.536 -0.794 1.00 0.00 N ATOM 0 H HIS A 84 10.504 -8.469 -1.770 1.00 0.00 H new ATOM 0 HA HIS A 84 12.240 -6.344 -2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.816 -6.131 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.672 -7.651 -0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.394 -3.920 -0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.081 -5.954 -1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.003 -3.654 -0.738 1.00 0.00 H new ATOM 1268 N VAL A 85 14.032 -8.169 -3.255 1.00 0.00 N ATOM 1269 CA VAL A 85 14.850 -9.222 -3.854 1.00 0.00 C ATOM 1270 C VAL A 85 15.325 -10.252 -2.821 1.00 0.00 C ATOM 1271 O VAL A 85 15.975 -11.245 -3.156 1.00 0.00 O ATOM 1272 CB VAL A 85 16.006 -8.615 -4.679 1.00 0.00 C ATOM 1273 CG1 VAL A 85 16.907 -7.700 -3.877 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.810 -9.679 -5.418 1.00 0.00 C ATOM 0 H VAL A 85 14.453 -7.241 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 85 14.221 -9.780 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 85 15.523 -7.987 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.696 -7.311 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.322 -6.871 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.353 -8.258 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.611 -9.203 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.239 -10.376 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.156 -10.220 -6.101 1.00 0.00 H new ATOM 1284 N THR A 86 14.971 -10.031 -1.566 1.00 0.00 N ATOM 1285 CA THR A 86 15.218 -11.016 -0.532 1.00 0.00 C ATOM 1286 C THR A 86 14.073 -12.031 -0.490 1.00 0.00 C ATOM 1287 O THR A 86 14.296 -13.230 -0.667 1.00 0.00 O ATOM 1288 CB THR A 86 15.394 -10.358 0.858 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.973 -11.249 1.899 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.601 -9.064 0.926 1.00 0.00 C ATOM 0 H THR A 86 14.513 -9.180 -1.241 1.00 0.00 H new ATOM 0 HA THR A 86 16.149 -11.527 -0.777 1.00 0.00 H new ATOM 0 HB THR A 86 16.451 -10.136 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.094 -10.815 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.731 -8.609 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.957 -8.378 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.544 -9.276 0.762 1.00 0.00 H new ATOM 1298 N LEU A 87 12.847 -11.539 -0.258 1.00 0.00 N ATOM 1299 CA LEU A 87 11.655 -12.392 -0.222 1.00 0.00 C ATOM 1300 C LEU A 87 11.559 -13.279 -1.456 1.00 0.00 C ATOM 1301 O LEU A 87 11.483 -14.500 -1.343 1.00 0.00 O ATOM 1302 CB LEU A 87 10.378 -11.549 -0.145 1.00 0.00 C ATOM 1303 CG LEU A 87 10.266 -10.601 1.046 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.099 -9.650 0.843 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.104 -11.382 2.343 1.00 0.00 C ATOM 0 H LEU A 87 12.657 -10.551 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 87 11.750 -13.015 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.300 -10.961 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.523 -12.224 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 87 11.185 -10.019 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.026 -8.977 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.257 -9.068 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.175 -10.222 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.026 -10.687 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.201 -11.990 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.969 -12.029 2.489 1.00 0.00 H new ATOM 1317 N SER A 88 11.558 -12.630 -2.625 1.00 0.00 N ATOM 1318 CA SER A 88 11.361 -13.281 -3.923 1.00 0.00 C ATOM 1319 C SER A 88 9.868 -13.511 -4.182 1.00 0.00 C ATOM 1320 O SER A 88 9.434 -13.570 -5.334 1.00 0.00 O ATOM 1321 CB SER A 88 12.153 -14.592 -4.040 1.00 0.00 C ATOM 1322 OG SER A 88 12.174 -15.063 -5.378 1.00 0.00 O ATOM 0 H SER A 88 11.696 -11.622 -2.696 1.00 0.00 H new ATOM 0 HA SER A 88 11.749 -12.611 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.174 -14.435 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.708 -15.348 -3.393 1.00 0.00 H new ATOM 0 HG SER A 88 12.686 -15.897 -5.423 1.00 0.00 H new ATOM 1328 N GLN A 89 9.080 -13.613 -3.115 1.00 0.00 N ATOM 1329 CA GLN A 89 7.631 -13.697 -3.241 1.00 0.00 C ATOM 1330 C GLN A 89 6.988 -12.579 -2.405 1.00 0.00 C ATOM 1331 O GLN A 89 7.169 -12.534 -1.187 1.00 0.00 O ATOM 1332 CB GLN A 89 7.091 -15.087 -2.816 1.00 0.00 C ATOM 1333 CG GLN A 89 7.248 -15.423 -1.336 1.00 0.00 C ATOM 1334 CD GLN A 89 8.669 -15.769 -0.943 1.00 0.00 C ATOM 1335 OE1 GLN A 89 9.106 -15.467 0.167 1.00 0.00 O ATOM 1336 NE2 GLN A 89 9.388 -16.437 -1.831 1.00 0.00 N ATOM 0 H GLN A 89 9.422 -13.639 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 89 7.366 -13.568 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.033 -15.142 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.602 -15.851 -3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.911 -14.574 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.597 -16.262 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.989 -16.668 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.341 -16.721 -1.606 1.00 0.00 H new ATOM 1345 N PRO A 90 6.279 -11.621 -3.039 1.00 0.00 N ATOM 1346 CA PRO A 90 5.649 -10.514 -2.305 1.00 0.00 C ATOM 1347 C PRO A 90 4.497 -10.948 -1.417 1.00 0.00 C ATOM 1348 O PRO A 90 3.857 -11.978 -1.650 1.00 0.00 O ATOM 1349 CB PRO A 90 5.128 -9.579 -3.386 1.00 0.00 C ATOM 1350 CG PRO A 90 5.012 -10.424 -4.616 1.00 0.00 C ATOM 1351 CD PRO A 90 6.071 -11.511 -4.498 1.00 0.00 C ATOM 0 HA PRO A 90 6.374 -10.057 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.163 -9.155 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.810 -8.743 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.016 -10.860 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.169 -9.826 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.731 -12.453 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.990 -11.236 -5.016 1.00 0.00 H new ATOM 1359 N LYS A 91 4.229 -10.135 -0.406 1.00 0.00 N ATOM 1360 CA LYS A 91 3.156 -10.410 0.539 1.00 0.00 C ATOM 1361 C LYS A 91 2.012 -9.410 0.358 1.00 0.00 C ATOM 1362 O LYS A 91 2.223 -8.288 -0.105 1.00 0.00 O ATOM 1363 CB LYS A 91 3.667 -10.329 1.986 1.00 0.00 C ATOM 1364 CG LYS A 91 5.002 -11.029 2.239 1.00 0.00 C ATOM 1365 CD LYS A 91 4.976 -12.511 1.875 1.00 0.00 C ATOM 1366 CE LYS A 91 4.532 -13.391 3.044 1.00 0.00 C ATOM 1367 NZ LYS A 91 3.089 -13.221 3.372 1.00 0.00 N ATOM 0 H LYS A 91 4.743 -9.274 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 91 2.793 -11.419 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.766 -9.279 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.916 -10.763 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.782 -10.532 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.268 -10.923 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.302 -12.664 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.969 -12.820 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.725 -14.436 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.131 -13.152 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.731 -14.087 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.973 -12.419 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.554 -13.038 2.499 1.00 0.00 H new ATOM 1381 N ILE A 92 0.812 -9.838 0.729 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.359 -8.967 0.723 1.00 0.00 C ATOM 1383 C ILE A 92 -0.806 -8.647 2.147 1.00 0.00 C ATOM 1384 O ILE A 92 -0.900 -9.531 3.002 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.548 -9.546 -0.114 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.599 -8.892 -1.502 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.881 -9.360 0.592 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.408 -7.403 -1.465 1.00 0.00 C ATOM 0 H ILE A 92 0.622 -10.791 1.040 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.054 -8.043 0.232 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.373 -10.616 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.828 -9.335 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.559 -9.117 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.679 -9.776 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.858 -9.874 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.062 -8.297 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.455 -7.005 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.194 -6.950 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.436 -7.172 -1.029 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.048 -7.370 2.399 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.601 -6.922 3.662 1.00 0.00 C ATOM 1402 C VAL A 93 -2.962 -6.298 3.404 1.00 0.00 C ATOM 1403 O VAL A 93 -3.079 -5.348 2.639 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.682 -5.898 4.368 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.433 -4.670 3.506 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.257 -5.488 5.713 1.00 0.00 C ATOM 0 H VAL A 93 -0.866 -6.619 1.734 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.691 -7.785 4.322 1.00 0.00 H new ATOM 0 HB VAL A 93 0.277 -6.390 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.217 -3.977 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.045 -4.971 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.382 -4.181 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.592 -4.768 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.238 -5.035 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.355 -6.367 6.350 1.00 0.00 H new ATOM 1416 N LYS A 94 -3.990 -6.841 4.010 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.333 -6.372 3.737 1.00 0.00 C ATOM 1418 C LYS A 94 -5.881 -5.613 4.937 1.00 0.00 C ATOM 1419 O LYS A 94 -5.505 -5.883 6.081 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.240 -7.543 3.387 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.646 -8.467 2.356 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.276 -9.841 2.430 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.936 -10.574 3.720 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.560 -11.920 3.756 1.00 0.00 N ATOM 0 H LYS A 94 -3.928 -7.600 4.689 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.300 -5.694 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.456 -8.110 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.191 -7.160 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.793 -8.049 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.570 -8.548 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.358 -9.745 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.942 -10.436 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.854 -10.670 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.278 -9.989 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.310 -12.395 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.594 -11.825 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.214 -12.485 2.954 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.760 -4.668 4.667 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.279 -3.781 5.699 1.00 0.00 C ATOM 1440 C TRP A 95 -8.498 -4.398 6.406 1.00 0.00 C ATOM 1441 O TRP A 95 -9.386 -4.965 5.775 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.604 -2.409 5.062 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.143 -1.343 5.985 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.657 -0.977 7.212 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.246 -0.456 5.715 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.395 0.056 7.726 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.380 0.392 6.836 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.146 -0.300 4.641 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.359 1.375 6.918 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.116 0.681 4.725 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.224 1.503 5.855 1.00 0.00 C ATOM 0 H TRP A 95 -7.134 -4.491 3.735 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.524 -3.637 6.471 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.696 -2.027 4.595 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.330 -2.568 4.265 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.813 -1.437 7.704 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.236 0.504 8.629 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.079 -0.935 3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.438 2.015 7.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.804 0.817 3.904 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.001 2.252 5.892 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.504 -4.309 7.734 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.568 -4.885 8.558 1.00 0.00 C ATOM 1464 C ASP A 96 -10.868 -4.072 8.454 1.00 0.00 C ATOM 1465 O ASP A 96 -11.040 -3.057 9.132 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.107 -5.002 10.029 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.780 -3.668 10.684 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.524 -3.253 11.599 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.768 -3.040 10.299 1.00 0.00 O ATOM 0 H ASP A 96 -7.775 -3.838 8.269 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.780 -5.885 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.889 -5.496 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.226 -5.642 10.073 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.785 -4.542 7.598 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.106 -3.930 7.448 1.00 0.00 C ATOM 1476 C ARG A 97 -13.859 -4.626 6.312 1.00 0.00 C ATOM 1477 O ARG A 97 -15.079 -4.520 6.202 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.971 -2.409 7.183 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.838 -2.021 5.706 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.187 -1.930 4.989 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.032 -1.934 3.545 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.049 -1.962 2.695 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.294 -1.790 3.121 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.825 -2.158 1.408 1.00 0.00 N ATOM 0 H ARG A 97 -11.631 -5.351 6.996 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.672 -4.053 8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.842 -1.904 7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.099 -2.037 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.328 -1.060 5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.211 -2.754 5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.815 -2.768 5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.701 -1.020 5.297 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.086 -1.914 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.477 -1.634 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.068 -1.814 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.871 -2.287 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.606 -2.180 0.752 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.119 -5.373 5.501 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.641 -5.934 4.255 1.00 0.00 C ATOM 1500 C ASP A 98 -13.042 -7.307 3.942 1.00 0.00 C ATOM 1501 O ASP A 98 -13.627 -8.084 3.185 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.346 -5.000 3.085 1.00 0.00 C ATOM 1503 CG ASP A 98 -11.953 -4.390 3.107 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -11.833 -3.173 2.830 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -10.985 -5.114 3.395 1.00 0.00 O ATOM 0 H ASP A 98 -12.144 -5.608 5.685 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.717 -6.046 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.474 -5.552 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.082 -4.196 3.083 1.00 0.00 H new ATOM 1510 N MET A 99 -11.880 -7.591 4.523 1.00 0.00 N ATOM 1511 CA MET A 99 -11.163 -8.851 4.279 1.00 0.00 C ATOM 1512 C MET A 99 -12.022 -10.069 4.594 1.00 0.00 C ATOM 1513 CB MET A 99 -9.828 -8.929 5.059 1.00 0.00 C ATOM 1514 CG MET A 99 -9.894 -8.581 6.562 1.00 0.00 C ATOM 1515 SD MET A 99 -10.982 -9.648 7.527 1.00 0.00 S ATOM 1516 CE MET A 99 -10.698 -9.001 9.174 1.00 0.00 C ATOM 0 H MET A 99 -11.407 -6.963 5.173 1.00 0.00 H new ATOM 0 HA MET A 99 -10.933 -8.860 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.431 -9.939 4.959 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.114 -8.257 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.889 -8.635 6.979 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.229 -7.549 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.301 -9.557 9.892 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.643 -9.104 9.429 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.977 -7.948 9.204 1.00 0.00 H new TER 1525 MET A 99