USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 645 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -10.1! C(o=-10!,f=-8.3!) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.211) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.491 K(o=-0.49,f=-4.7!) USER MOD Single : A 5 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-1.7!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.765 X(o=-0.76,f=-1) USER MOD Single : A 16 GLN : amide:sc= -3.21! C(o=-3.2!,f=-4.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 130:sc= -1.35! USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0375 (180deg=-0.371) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 43 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 163:sc= 0.393 USER MOD Single : A 59 SER OG : rot -67:sc= 0.322 USER MOD Single : A 62 CYS SG : rot -129:sc= -0.187 USER MOD Single : A 64 LYS NZ :NH3+ -121:sc= -0.147 (180deg=-0.315) USER MOD Single : A 69 SER OG : rot 180:sc= -0.167 USER MOD Single : A 74 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.368 -3.519 -14.127 1.00 0.00 N ATOM 2 CA MET A 1 5.290 -3.034 -12.721 1.00 0.00 C ATOM 3 C MET A 1 5.758 -1.576 -12.677 1.00 0.00 C ATOM 4 O MET A 1 6.850 -1.269 -12.235 1.00 0.00 O ATOM 5 CB MET A 1 6.179 -3.910 -11.830 1.00 0.00 C ATOM 6 CG MET A 1 6.024 -3.498 -10.364 1.00 0.00 C ATOM 7 SD MET A 1 4.330 -3.843 -9.813 1.00 0.00 S ATOM 8 CE MET A 1 4.686 -5.317 -8.822 1.00 0.00 C ATOM 0 H1 MET A 1 5.053 -4.509 -14.171 1.00 0.00 H new ATOM 0 H2 MET A 1 4.756 -2.934 -14.731 1.00 0.00 H new ATOM 0 H3 MET A 1 6.350 -3.453 -14.463 1.00 0.00 H new ATOM 0 HA MET A 1 4.265 -3.094 -12.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.908 -4.959 -11.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.221 -3.813 -12.135 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.737 -4.043 -9.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.246 -2.437 -10.248 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.757 -5.845 -8.608 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.357 -5.974 -9.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.159 -5.020 -7.886 1.00 0.00 H new ATOM 20 N ASN A 2 4.933 -0.674 -13.147 1.00 0.00 N ATOM 21 CA ASN A 2 5.312 0.770 -13.159 1.00 0.00 C ATOM 22 C ASN A 2 4.955 1.415 -11.819 1.00 0.00 C ATOM 23 O ASN A 2 3.801 1.522 -11.448 1.00 0.00 O ATOM 24 CB ASN A 2 4.568 1.482 -14.285 1.00 0.00 C ATOM 25 CG ASN A 2 5.029 2.940 -14.355 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.862 3.366 -13.578 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.516 3.734 -15.256 1.00 0.00 N ATOM 0 H ASN A 2 4.008 -0.878 -13.525 1.00 0.00 H new ATOM 0 HA ASN A 2 6.387 0.857 -13.320 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.759 0.983 -15.235 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.493 1.437 -14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.814 4.708 -15.307 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.817 3.380 -15.909 1.00 0.00 H new ATOM 34 N VAL A 3 5.952 1.842 -11.095 1.00 0.00 N ATOM 35 CA VAL A 3 5.713 2.475 -9.772 1.00 0.00 C ATOM 36 C VAL A 3 5.320 3.939 -9.945 1.00 0.00 C ATOM 37 O VAL A 3 5.700 4.594 -10.897 1.00 0.00 O ATOM 38 CB VAL A 3 6.988 2.388 -8.938 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.376 0.921 -8.767 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.121 3.134 -9.648 1.00 0.00 C ATOM 0 H VAL A 3 6.933 1.778 -11.369 1.00 0.00 H new ATOM 0 HA VAL A 3 4.900 1.951 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 3 6.816 2.841 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.287 0.852 -8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.571 0.388 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.548 0.474 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.030 3.070 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.297 2.684 -10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.844 4.180 -9.776 1.00 0.00 H new ATOM 50 N ALA A 4 4.560 4.452 -9.011 1.00 0.00 N ATOM 51 CA ALA A 4 4.119 5.877 -9.074 1.00 0.00 C ATOM 52 C ALA A 4 4.774 6.653 -7.936 1.00 0.00 C ATOM 53 O ALA A 4 4.899 6.165 -6.827 1.00 0.00 O ATOM 54 CB ALA A 4 2.601 5.936 -8.926 1.00 0.00 C ATOM 0 H ALA A 4 4.223 3.937 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 4 4.410 6.316 -10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.271 6.974 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.134 5.372 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.312 5.505 -7.968 1.00 0.00 H new ATOM 60 N HIS A 5 5.202 7.859 -8.204 1.00 0.00 N ATOM 61 CA HIS A 5 5.864 8.682 -7.152 1.00 0.00 C ATOM 62 C HIS A 5 4.880 9.710 -6.602 1.00 0.00 C ATOM 63 O HIS A 5 4.330 10.521 -7.325 1.00 0.00 O ATOM 64 CB HIS A 5 7.066 9.398 -7.764 1.00 0.00 C ATOM 65 CG HIS A 5 8.086 8.375 -8.186 1.00 0.00 C ATOM 66 ND1 HIS A 5 9.258 8.725 -8.836 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.120 7.009 -8.059 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.943 7.590 -9.071 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.294 6.515 -8.616 1.00 0.00 N ATOM 0 H HIS A 5 5.120 8.311 -9.114 1.00 0.00 H new ATOM 0 HA HIS A 5 6.194 8.037 -6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.753 9.993 -8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.502 10.087 -7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.351 6.408 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.901 7.553 -9.567 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.595 5.542 -8.666 1.00 0.00 H new ATOM 77 N TYR A 6 4.657 9.673 -5.315 1.00 0.00 N ATOM 78 CA TYR A 6 3.716 10.630 -4.666 1.00 0.00 C ATOM 79 C TYR A 6 4.511 11.738 -3.974 1.00 0.00 C ATOM 80 O TYR A 6 4.979 12.672 -4.603 1.00 0.00 O ATOM 81 CB TYR A 6 2.874 9.876 -3.635 1.00 0.00 C ATOM 82 CG TYR A 6 1.832 10.806 -3.049 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.828 11.329 -3.873 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.865 11.144 -1.687 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.139 12.185 -3.342 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.892 12.002 -1.158 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.109 12.522 -1.986 1.00 0.00 C ATOM 88 OH TYR A 6 -1.071 13.363 -1.463 1.00 0.00 O ATOM 0 H TYR A 6 5.095 9.009 -4.677 1.00 0.00 H new ATOM 0 HA TYR A 6 3.063 11.076 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.389 9.020 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.514 9.486 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.801 11.070 -4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.639 10.744 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.912 12.587 -3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.915 12.262 -0.110 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.906 13.494 -0.506 1.00 0.00 H new ATOM 98 N ARG A 7 4.661 11.647 -2.676 1.00 0.00 N ATOM 99 CA ARG A 7 5.417 12.686 -1.924 1.00 0.00 C ATOM 100 C ARG A 7 6.890 12.285 -1.838 1.00 0.00 C ATOM 101 O ARG A 7 7.489 12.270 -0.776 1.00 0.00 O ATOM 102 CB ARG A 7 4.814 12.817 -0.518 1.00 0.00 C ATOM 103 CG ARG A 7 3.547 13.691 -0.568 1.00 0.00 C ATOM 104 CD ARG A 7 3.928 15.175 -0.470 1.00 0.00 C ATOM 105 NE ARG A 7 4.450 15.454 0.897 1.00 0.00 N ATOM 106 CZ ARG A 7 4.887 16.644 1.208 1.00 0.00 C ATOM 107 NH1 ARG A 7 4.881 17.599 0.320 1.00 0.00 N ATOM 108 NH2 ARG A 7 5.334 16.877 2.411 1.00 0.00 N ATOM 0 H ARG A 7 4.288 10.890 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 7 5.348 13.646 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.570 11.830 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.544 13.259 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.005 13.507 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.879 13.424 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.682 15.420 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.060 15.801 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 7 4.466 14.710 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.534 17.418 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.223 18.527 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.341 16.130 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.676 17.806 2.657 1.00 0.00 H new ATOM 122 N GLY A 8 7.478 11.969 -2.959 1.00 0.00 N ATOM 123 CA GLY A 8 8.911 11.576 -2.973 1.00 0.00 C ATOM 124 C GLY A 8 9.047 10.103 -2.589 1.00 0.00 C ATOM 125 O GLY A 8 10.143 9.585 -2.469 1.00 0.00 O ATOM 0 H GLY A 8 7.022 11.967 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.334 11.744 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.475 12.197 -2.276 1.00 0.00 H new ATOM 129 N TYR A 9 7.945 9.425 -2.393 1.00 0.00 N ATOM 130 CA TYR A 9 7.998 7.982 -2.010 1.00 0.00 C ATOM 131 C TYR A 9 7.552 7.114 -3.188 1.00 0.00 C ATOM 132 O TYR A 9 6.602 7.421 -3.885 1.00 0.00 O ATOM 133 CB TYR A 9 7.080 7.744 -0.813 1.00 0.00 C ATOM 134 CG TYR A 9 7.622 8.493 0.384 1.00 0.00 C ATOM 135 CD1 TYR A 9 8.575 7.888 1.214 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.173 9.790 0.664 1.00 0.00 C ATOM 137 CE1 TYR A 9 9.076 8.580 2.324 1.00 0.00 C ATOM 138 CE2 TYR A 9 7.675 10.481 1.774 1.00 0.00 C ATOM 139 CZ TYR A 9 8.627 9.876 2.603 1.00 0.00 C ATOM 140 OH TYR A 9 9.122 10.556 3.698 1.00 0.00 O ATOM 0 H TYR A 9 7.005 9.812 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 9 9.020 7.715 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.069 8.082 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.018 6.678 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.923 6.889 0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.439 10.257 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.809 8.113 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.328 11.480 1.990 1.00 0.00 H new ATOM 0 HH TYR A 9 8.707 11.443 3.747 1.00 0.00 H new ATOM 150 N GLU A 10 8.242 6.026 -3.410 1.00 0.00 N ATOM 151 CA GLU A 10 7.885 5.124 -4.536 1.00 0.00 C ATOM 152 C GLU A 10 6.717 4.238 -4.123 1.00 0.00 C ATOM 153 O GLU A 10 6.638 3.776 -2.999 1.00 0.00 O ATOM 154 CB GLU A 10 9.089 4.251 -4.888 1.00 0.00 C ATOM 155 CG GLU A 10 10.182 5.125 -5.504 1.00 0.00 C ATOM 156 CD GLU A 10 11.427 4.276 -5.776 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.385 3.088 -5.497 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.402 4.830 -6.258 1.00 0.00 O ATOM 0 H GLU A 10 9.042 5.725 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 10 7.601 5.718 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.466 3.753 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.794 3.469 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.825 5.572 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.429 5.945 -4.830 1.00 0.00 H new ATOM 165 N ILE A 11 5.806 3.998 -5.033 1.00 0.00 N ATOM 166 CA ILE A 11 4.625 3.145 -4.725 1.00 0.00 C ATOM 167 C ILE A 11 4.620 1.936 -5.646 1.00 0.00 C ATOM 168 O ILE A 11 4.726 2.058 -6.854 1.00 0.00 O ATOM 169 CB ILE A 11 3.352 3.956 -4.937 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.335 5.120 -3.941 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.137 3.059 -4.703 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.188 6.076 -4.278 1.00 0.00 C ATOM 0 H ILE A 11 5.834 4.362 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 11 4.674 2.808 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 11 3.321 4.344 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.217 4.740 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.286 5.652 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.224 3.636 -4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.160 2.225 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.159 2.675 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.181 6.901 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.325 6.467 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.240 5.541 -4.222 1.00 0.00 H new ATOM 184 N GLU A 12 4.493 0.763 -5.078 1.00 0.00 N ATOM 185 CA GLU A 12 4.469 -0.485 -5.894 1.00 0.00 C ATOM 186 C GLU A 12 3.286 -1.358 -5.434 1.00 0.00 C ATOM 187 O GLU A 12 3.383 -2.056 -4.445 1.00 0.00 O ATOM 188 CB GLU A 12 5.778 -1.250 -5.694 1.00 0.00 C ATOM 189 CG GLU A 12 5.919 -2.286 -6.812 1.00 0.00 C ATOM 190 CD GLU A 12 7.139 -3.166 -6.556 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.735 -3.023 -5.501 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.458 -3.967 -7.417 1.00 0.00 O ATOM 0 H GLU A 12 4.404 0.618 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 12 4.356 -0.236 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.623 -0.562 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.783 -1.741 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.021 -2.901 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.018 -1.784 -7.774 1.00 0.00 H new ATOM 199 N PRO A 13 2.167 -1.305 -6.128 1.00 0.00 N ATOM 200 CA PRO A 13 0.952 -2.087 -5.756 1.00 0.00 C ATOM 201 C PRO A 13 1.057 -3.570 -6.138 1.00 0.00 C ATOM 202 O PRO A 13 1.767 -3.944 -7.054 1.00 0.00 O ATOM 203 CB PRO A 13 -0.176 -1.382 -6.521 1.00 0.00 C ATOM 204 CG PRO A 13 0.480 -0.786 -7.728 1.00 0.00 C ATOM 205 CD PRO A 13 1.938 -0.504 -7.345 1.00 0.00 C ATOM 0 HA PRO A 13 0.792 -2.106 -4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.958 -2.086 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.646 -0.613 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.428 -1.471 -8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.025 0.132 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.620 -0.794 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.100 0.557 -7.157 1.00 0.00 H new ATOM 213 N GLY A 14 0.347 -4.414 -5.439 1.00 0.00 N ATOM 214 CA GLY A 14 0.389 -5.870 -5.750 1.00 0.00 C ATOM 215 C GLY A 14 -0.602 -6.609 -4.846 1.00 0.00 C ATOM 216 O GLY A 14 -0.343 -6.836 -3.677 1.00 0.00 O ATOM 0 H GLY A 14 -0.262 -4.156 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.138 -6.037 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.396 -6.257 -5.598 1.00 0.00 H new ATOM 220 N HIS A 15 -1.736 -6.979 -5.383 1.00 0.00 N ATOM 221 CA HIS A 15 -2.770 -7.696 -4.576 1.00 0.00 C ATOM 222 C HIS A 15 -2.121 -8.749 -3.679 1.00 0.00 C ATOM 223 O HIS A 15 -1.333 -9.566 -4.119 1.00 0.00 O ATOM 224 CB HIS A 15 -3.774 -8.366 -5.520 1.00 0.00 C ATOM 225 CG HIS A 15 -3.115 -9.495 -6.268 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.295 -9.276 -7.367 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.163 -10.858 -6.105 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.889 -10.477 -7.817 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.388 -11.476 -7.084 1.00 0.00 N ATOM 0 H HIS A 15 -1.993 -6.813 -6.356 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.285 -6.974 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.622 -8.745 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.165 -7.633 -6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.718 -11.373 -5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.238 -10.617 -8.668 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.235 -12.476 -7.213 1.00 0.00 H new ATOM 237 N GLN A 16 -2.456 -8.731 -2.416 1.00 0.00 N ATOM 238 CA GLN A 16 -1.873 -9.721 -1.473 1.00 0.00 C ATOM 239 C GLN A 16 -2.797 -9.878 -0.265 1.00 0.00 C ATOM 240 O GLN A 16 -3.605 -9.015 0.039 1.00 0.00 O ATOM 241 CB GLN A 16 -0.470 -9.257 -1.018 1.00 0.00 C ATOM 242 CG GLN A 16 0.531 -10.414 -1.141 1.00 0.00 C ATOM 243 CD GLN A 16 0.095 -11.556 -0.217 1.00 0.00 C ATOM 244 OE1 GLN A 16 -0.010 -11.378 0.983 1.00 0.00 O ATOM 245 NE2 GLN A 16 -0.176 -12.726 -0.726 1.00 0.00 N ATOM 0 H GLN A 16 -3.111 -8.070 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.774 -10.684 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.141 -8.415 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.510 -8.908 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.578 -10.762 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.532 -10.075 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.089 -12.878 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.475 -13.489 -0.119 1.00 0.00 H new ATOM 254 N TYR A 17 -2.678 -10.987 0.417 1.00 0.00 N ATOM 255 CA TYR A 17 -3.532 -11.249 1.609 1.00 0.00 C ATOM 256 C TYR A 17 -2.675 -11.276 2.870 1.00 0.00 C ATOM 257 O TYR A 17 -1.535 -11.702 2.862 1.00 0.00 O ATOM 258 CB TYR A 17 -4.229 -12.598 1.445 1.00 0.00 C ATOM 259 CG TYR A 17 -3.200 -13.704 1.409 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.732 -14.260 2.607 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.724 -14.186 0.182 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.789 -15.295 2.579 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.779 -15.220 0.155 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.312 -15.775 1.352 1.00 0.00 C ATOM 265 OH TYR A 17 -0.384 -16.796 1.326 1.00 0.00 O ATOM 0 H TYR A 17 -2.016 -11.731 0.194 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.275 -10.456 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.924 -12.762 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.816 -12.605 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.099 -13.890 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.086 -13.760 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.429 -15.723 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.410 -15.589 -0.791 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.160 -17.011 0.396 1.00 0.00 H new ATOM 275 N ARG A 18 -3.228 -10.815 3.959 1.00 0.00 N ATOM 276 CA ARG A 18 -2.478 -10.796 5.243 1.00 0.00 C ATOM 277 C ARG A 18 -2.761 -12.077 6.020 1.00 0.00 C ATOM 278 O ARG A 18 -3.896 -12.477 6.205 1.00 0.00 O ATOM 279 CB ARG A 18 -2.928 -9.581 6.060 1.00 0.00 C ATOM 280 CG ARG A 18 -2.508 -8.282 5.348 1.00 0.00 C ATOM 281 CD ARG A 18 -1.044 -7.953 5.672 1.00 0.00 C ATOM 282 NE ARG A 18 -0.684 -6.641 5.069 1.00 0.00 N ATOM 283 CZ ARG A 18 0.441 -6.059 5.388 1.00 0.00 C ATOM 284 NH1 ARG A 18 1.269 -6.628 6.224 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.740 -4.905 4.865 1.00 0.00 N ATOM 0 H ARG A 18 -4.178 -10.447 4.012 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.408 -10.731 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.010 -9.601 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.487 -9.619 7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.635 -8.391 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.152 -7.461 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.898 -7.921 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.390 -8.735 5.285 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.317 -6.195 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.039 -7.534 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.145 -6.166 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.097 -4.460 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.617 -4.446 5.110 1.00 0.00 H new ATOM 299 N ASP A 19 -1.724 -12.719 6.481 1.00 0.00 N ATOM 300 CA ASP A 19 -1.894 -13.977 7.256 1.00 0.00 C ATOM 301 C ASP A 19 -2.469 -13.653 8.637 1.00 0.00 C ATOM 302 O ASP A 19 -3.083 -14.487 9.280 1.00 0.00 O ATOM 303 CB ASP A 19 -0.531 -14.656 7.409 1.00 0.00 C ATOM 304 CG ASP A 19 0.453 -13.693 8.082 1.00 0.00 C ATOM 305 OD1 ASP A 19 0.089 -12.548 8.287 1.00 0.00 O ATOM 306 OD2 ASP A 19 1.559 -14.120 8.376 1.00 0.00 O ATOM 0 H ASP A 19 -0.757 -12.422 6.352 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.578 -14.645 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.631 -15.564 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.151 -14.955 6.432 1.00 0.00 H new ATOM 311 N ASP A 20 -2.274 -12.450 9.100 1.00 0.00 N ATOM 312 CA ASP A 20 -2.802 -12.065 10.441 1.00 0.00 C ATOM 313 C ASP A 20 -4.329 -12.172 10.453 1.00 0.00 C ATOM 314 O ASP A 20 -4.918 -12.692 11.384 1.00 0.00 O ATOM 315 CB ASP A 20 -2.399 -10.622 10.749 1.00 0.00 C ATOM 316 CG ASP A 20 -0.908 -10.557 11.081 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.302 -11.608 11.204 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.397 -9.455 11.206 1.00 0.00 O ATOM 0 H ASP A 20 -1.770 -11.713 8.606 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.387 -12.736 11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.618 -9.984 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.984 -10.243 11.587 1.00 0.00 H new ATOM 323 N ILE A 21 -4.976 -11.685 9.423 1.00 0.00 N ATOM 324 CA ILE A 21 -6.472 -11.752 9.351 1.00 0.00 C ATOM 325 C ILE A 21 -6.878 -12.766 8.273 1.00 0.00 C ATOM 326 O ILE A 21 -8.040 -13.109 8.127 1.00 0.00 O ATOM 327 CB ILE A 21 -7.023 -10.359 9.012 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.234 -9.753 7.845 1.00 0.00 C ATOM 329 CG2 ILE A 21 -6.890 -9.450 10.236 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.925 -8.468 7.377 1.00 0.00 C ATOM 0 H ILE A 21 -4.529 -11.240 8.621 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.882 -12.071 10.309 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.072 -10.449 8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.212 -9.537 8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.173 -10.466 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.280 -8.460 9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.455 -9.873 11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.840 -9.368 10.516 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.366 -8.036 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.939 -8.698 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.963 -7.755 8.200 1.00 0.00 H new ATOM 342 N ARG A 22 -5.920 -13.254 7.529 1.00 0.00 N ATOM 343 CA ARG A 22 -6.209 -14.256 6.457 1.00 0.00 C ATOM 344 C ARG A 22 -7.274 -13.712 5.497 1.00 0.00 C ATOM 345 O ARG A 22 -8.280 -14.345 5.236 1.00 0.00 O ATOM 346 CB ARG A 22 -6.684 -15.573 7.087 1.00 0.00 C ATOM 347 CG ARG A 22 -5.545 -16.164 7.923 1.00 0.00 C ATOM 348 CD ARG A 22 -6.022 -17.433 8.634 1.00 0.00 C ATOM 349 NE ARG A 22 -6.357 -18.482 7.624 1.00 0.00 N ATOM 350 CZ ARG A 22 -5.433 -19.286 7.163 1.00 0.00 C ATOM 351 NH1 ARG A 22 -4.195 -19.177 7.566 1.00 0.00 N ATOM 352 NH2 ARG A 22 -5.752 -20.203 6.291 1.00 0.00 N ATOM 0 H ARG A 22 -4.937 -12.998 7.619 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.296 -14.444 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.559 -15.397 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.984 -16.276 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.694 -16.394 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.203 -15.433 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.246 -17.798 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.896 -17.211 9.246 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.317 -18.572 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.941 -18.460 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.482 -19.809 7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.717 -20.290 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.036 -20.833 5.928 1.00 0.00 H new ATOM 366 N LYS A 23 -7.049 -12.537 4.962 1.00 0.00 N ATOM 367 CA LYS A 23 -8.031 -11.932 4.012 1.00 0.00 C ATOM 368 C LYS A 23 -7.304 -11.103 2.950 1.00 0.00 C ATOM 369 O LYS A 23 -6.158 -10.727 3.108 1.00 0.00 O ATOM 370 CB LYS A 23 -9.009 -11.035 4.772 1.00 0.00 C ATOM 371 CG LYS A 23 -9.982 -11.904 5.567 1.00 0.00 C ATOM 372 CD LYS A 23 -10.971 -11.008 6.311 1.00 0.00 C ATOM 373 CE LYS A 23 -11.942 -11.877 7.109 1.00 0.00 C ATOM 374 NZ LYS A 23 -12.925 -11.005 7.811 1.00 0.00 N ATOM 0 H LYS A 23 -6.222 -11.968 5.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.579 -12.737 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.464 -10.372 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.557 -10.402 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.517 -12.577 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.435 -12.527 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.436 -10.333 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.519 -10.387 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.461 -12.566 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.395 -12.483 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.587 -11.595 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.421 -10.364 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.454 -10.446 7.112 1.00 0.00 H new ATOM 388 N TYR A 24 -7.979 -10.813 1.864 1.00 0.00 N ATOM 389 CA TYR A 24 -7.357 -10.010 0.775 1.00 0.00 C ATOM 390 C TYR A 24 -7.578 -8.529 1.041 1.00 0.00 C ATOM 391 O TYR A 24 -8.687 -8.085 1.268 1.00 0.00 O ATOM 392 CB TYR A 24 -7.998 -10.384 -0.560 1.00 0.00 C ATOM 393 CG TYR A 24 -7.606 -11.795 -0.919 1.00 0.00 C ATOM 394 CD1 TYR A 24 -8.385 -12.872 -0.482 1.00 0.00 C ATOM 395 CD2 TYR A 24 -6.461 -12.026 -1.689 1.00 0.00 C ATOM 396 CE1 TYR A 24 -8.018 -14.182 -0.816 1.00 0.00 C ATOM 397 CE2 TYR A 24 -6.093 -13.334 -2.022 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.872 -14.413 -1.586 1.00 0.00 C ATOM 399 OH TYR A 24 -6.509 -15.703 -1.915 1.00 0.00 O ATOM 0 H TYR A 24 -8.941 -11.102 1.688 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.287 -10.217 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.083 -10.301 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.674 -9.694 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.269 -12.693 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.861 -11.194 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.619 -15.014 -0.479 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.208 -13.512 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.690 -15.685 -2.454 1.00 0.00 H new ATOM 409 N VAL A 25 -6.524 -7.752 1.006 1.00 0.00 N ATOM 410 CA VAL A 25 -6.665 -6.288 1.253 1.00 0.00 C ATOM 411 C VAL A 25 -5.626 -5.526 0.413 1.00 0.00 C ATOM 412 O VAL A 25 -4.542 -6.020 0.177 1.00 0.00 O ATOM 413 CB VAL A 25 -6.434 -5.995 2.742 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.303 -6.925 3.584 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.960 -6.219 3.097 1.00 0.00 C ATOM 0 H VAL A 25 -5.573 -8.070 0.817 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.668 -5.966 0.972 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.699 -4.958 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.139 -6.717 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.353 -6.762 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.038 -7.961 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.805 -6.009 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.689 -7.254 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.337 -5.554 2.500 1.00 0.00 H new ATOM 425 N PRO A 26 -5.940 -4.325 -0.023 1.00 0.00 N ATOM 426 CA PRO A 26 -4.997 -3.499 -0.828 1.00 0.00 C ATOM 427 C PRO A 26 -3.572 -3.569 -0.270 1.00 0.00 C ATOM 428 O PRO A 26 -3.286 -3.036 0.785 1.00 0.00 O ATOM 429 CB PRO A 26 -5.564 -2.077 -0.696 1.00 0.00 C ATOM 430 CG PRO A 26 -7.033 -2.257 -0.450 1.00 0.00 C ATOM 431 CD PRO A 26 -7.219 -3.636 0.198 1.00 0.00 C ATOM 0 HA PRO A 26 -4.922 -3.838 -1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.091 -1.540 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.385 -1.497 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.413 -1.471 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.590 -2.193 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.443 -3.547 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.046 -4.180 -0.258 1.00 0.00 H new ATOM 439 N TYR A 27 -2.678 -4.225 -0.966 1.00 0.00 N ATOM 440 CA TYR A 27 -1.271 -4.341 -0.475 1.00 0.00 C ATOM 441 C TYR A 27 -0.330 -3.561 -1.387 1.00 0.00 C ATOM 442 O TYR A 27 -0.229 -3.821 -2.572 1.00 0.00 O ATOM 443 CB TYR A 27 -0.865 -5.813 -0.465 1.00 0.00 C ATOM 444 CG TYR A 27 0.507 -5.946 0.151 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.653 -5.918 1.543 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.633 -6.096 -0.668 1.00 0.00 C ATOM 447 CE1 TYR A 27 1.923 -6.041 2.116 1.00 0.00 C ATOM 448 CE2 TYR A 27 2.904 -6.217 -0.093 1.00 0.00 C ATOM 449 CZ TYR A 27 3.047 -6.190 1.300 1.00 0.00 C ATOM 450 OH TYR A 27 4.298 -6.310 1.871 1.00 0.00 O ATOM 0 H TYR A 27 -2.863 -4.687 -1.856 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.207 -3.930 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.589 -6.398 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.860 -6.208 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.215 -5.801 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.521 -6.118 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.035 -6.021 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.774 -6.331 -0.723 1.00 0.00 H new ATOM 0 HH TYR A 27 4.759 -7.086 1.488 1.00 0.00 H new ATOM 460 N ALA A 28 0.371 -2.604 -0.831 1.00 0.00 N ATOM 461 CA ALA A 28 1.327 -1.792 -1.642 1.00 0.00 C ATOM 462 C ALA A 28 2.612 -1.596 -0.837 1.00 0.00 C ATOM 463 O ALA A 28 2.592 -1.484 0.374 1.00 0.00 O ATOM 464 CB ALA A 28 0.687 -0.426 -1.986 1.00 0.00 C ATOM 0 H ALA A 28 0.321 -2.350 0.156 1.00 0.00 H new ATOM 0 HA ALA A 28 1.562 -2.306 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.386 0.165 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.227 -0.586 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.450 0.107 -1.065 1.00 0.00 H new ATOM 470 N LEU A 29 3.732 -1.560 -1.508 1.00 0.00 N ATOM 471 CA LEU A 29 5.034 -1.382 -0.804 1.00 0.00 C ATOM 472 C LEU A 29 5.494 0.067 -0.952 1.00 0.00 C ATOM 473 O LEU A 29 5.512 0.619 -2.038 1.00 0.00 O ATOM 474 CB LEU A 29 6.070 -2.312 -1.431 1.00 0.00 C ATOM 475 CG LEU A 29 5.595 -3.766 -1.311 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.567 -4.683 -2.060 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.536 -4.177 0.171 1.00 0.00 C ATOM 0 H LEU A 29 3.801 -1.647 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 29 4.919 -1.620 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.219 -2.053 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.032 -2.191 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 29 4.600 -3.856 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.231 -5.716 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.600 -4.397 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.563 -4.589 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.198 -5.210 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.528 -4.085 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.840 -3.527 0.701 1.00 0.00 H new ATOM 489 N ILE A 30 5.857 0.686 0.145 1.00 0.00 N ATOM 490 CA ILE A 30 6.314 2.108 0.110 1.00 0.00 C ATOM 491 C ILE A 30 7.815 2.179 0.388 1.00 0.00 C ATOM 492 O ILE A 30 8.300 1.700 1.397 1.00 0.00 O ATOM 493 CB ILE A 30 5.560 2.903 1.173 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.061 2.865 0.862 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.044 4.351 1.164 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.273 3.457 2.033 1.00 0.00 C ATOM 0 H ILE A 30 5.856 0.261 1.072 1.00 0.00 H new ATOM 0 HA ILE A 30 6.115 2.528 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 30 5.742 2.466 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.855 3.428 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.744 1.838 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.506 4.919 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.112 4.379 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.860 4.790 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.207 3.427 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.469 2.876 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.581 4.490 2.194 1.00 0.00 H new ATOM 508 N ARG A 31 8.552 2.784 -0.511 1.00 0.00 N ATOM 509 CA ARG A 31 10.031 2.907 -0.338 1.00 0.00 C ATOM 510 C ARG A 31 10.454 4.354 -0.570 1.00 0.00 C ATOM 511 O ARG A 31 9.961 5.030 -1.456 1.00 0.00 O ATOM 512 CB ARG A 31 10.750 2.008 -1.354 1.00 0.00 C ATOM 513 CG ARG A 31 10.592 0.517 -0.974 1.00 0.00 C ATOM 514 CD ARG A 31 9.389 -0.083 -1.697 1.00 0.00 C ATOM 515 NE ARG A 31 9.240 -1.510 -1.296 1.00 0.00 N ATOM 516 CZ ARG A 31 9.836 -2.457 -1.967 1.00 0.00 C ATOM 517 NH1 ARG A 31 10.598 -2.166 -2.987 1.00 0.00 N ATOM 518 NH2 ARG A 31 9.674 -3.698 -1.610 1.00 0.00 N ATOM 0 H ARG A 31 8.187 3.202 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 31 10.297 2.601 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.343 2.179 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.808 2.268 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.496 -0.032 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.464 0.420 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.485 0.474 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.523 -0.008 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 31 8.666 -1.749 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.730 -1.193 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.061 -2.912 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.084 -3.926 -0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.137 -4.443 -2.130 1.00 0.00 H new ATOM 532 N LYS A 32 11.376 4.828 0.223 1.00 0.00 N ATOM 533 CA LYS A 32 11.857 6.227 0.072 1.00 0.00 C ATOM 534 C LYS A 32 12.990 6.273 -0.953 1.00 0.00 C ATOM 535 O LYS A 32 13.870 5.431 -0.970 1.00 0.00 O ATOM 536 CB LYS A 32 12.355 6.743 1.420 1.00 0.00 C ATOM 537 CG LYS A 32 12.795 8.201 1.276 1.00 0.00 C ATOM 538 CD LYS A 32 13.206 8.756 2.641 1.00 0.00 C ATOM 539 CE LYS A 32 13.619 10.221 2.489 1.00 0.00 C ATOM 540 NZ LYS A 32 14.868 10.307 1.682 1.00 0.00 N ATOM 0 H LYS A 32 11.819 4.300 0.975 1.00 0.00 H new ATOM 0 HA LYS A 32 11.038 6.858 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.565 6.662 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.188 6.133 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.630 8.271 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.982 8.796 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.378 8.671 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.032 8.174 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.822 10.786 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.777 10.669 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.313 11.235 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.525 9.557 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.639 10.188 0.674 1.00 0.00 H new ATOM 554 N VAL A 33 12.966 7.254 -1.811 1.00 0.00 N ATOM 555 CA VAL A 33 14.021 7.373 -2.853 1.00 0.00 C ATOM 556 C VAL A 33 15.375 7.692 -2.214 1.00 0.00 C ATOM 557 O VAL A 33 15.501 8.574 -1.383 1.00 0.00 O ATOM 558 CB VAL A 33 13.642 8.488 -3.824 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.778 8.708 -4.826 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.371 8.093 -4.578 1.00 0.00 C ATOM 0 H VAL A 33 12.254 7.984 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 33 14.102 6.425 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 33 13.468 9.409 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.504 9.505 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.686 8.988 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.955 7.788 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.098 8.888 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.549 7.172 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.560 7.938 -3.867 1.00 0.00 H new ATOM 570 N GLY A 34 16.394 6.974 -2.615 1.00 0.00 N ATOM 571 CA GLY A 34 17.761 7.203 -2.064 1.00 0.00 C ATOM 572 C GLY A 34 18.082 6.122 -1.034 1.00 0.00 C ATOM 573 O GLY A 34 19.234 5.866 -0.731 1.00 0.00 O ATOM 0 H GLY A 34 16.334 6.230 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.497 7.184 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.818 8.189 -1.602 1.00 0.00 H new ATOM 577 N VAL A 35 17.079 5.480 -0.497 1.00 0.00 N ATOM 578 CA VAL A 35 17.329 4.410 0.510 1.00 0.00 C ATOM 579 C VAL A 35 16.183 3.386 0.488 1.00 0.00 C ATOM 580 O VAL A 35 15.603 3.076 1.512 1.00 0.00 O ATOM 581 CB VAL A 35 17.435 5.038 1.906 1.00 0.00 C ATOM 582 CG1 VAL A 35 18.680 5.926 1.974 1.00 0.00 C ATOM 583 CG2 VAL A 35 16.191 5.889 2.191 1.00 0.00 C ATOM 0 H VAL A 35 16.097 5.651 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 35 18.262 3.901 0.267 1.00 0.00 H new ATOM 0 HB VAL A 35 17.508 4.244 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.755 6.372 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.567 5.324 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.605 6.715 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.273 6.332 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.113 6.681 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.302 5.260 2.146 1.00 0.00 H new ATOM 593 N PRO A 36 15.875 2.849 -0.666 1.00 0.00 N ATOM 594 CA PRO A 36 14.797 1.825 -0.819 1.00 0.00 C ATOM 595 C PRO A 36 15.252 0.469 -0.269 1.00 0.00 C ATOM 596 O PRO A 36 14.471 -0.449 -0.099 1.00 0.00 O ATOM 597 CB PRO A 36 14.588 1.751 -2.337 1.00 0.00 C ATOM 598 CG PRO A 36 15.911 2.136 -2.920 1.00 0.00 C ATOM 599 CD PRO A 36 16.521 3.157 -1.955 1.00 0.00 C ATOM 0 HA PRO A 36 13.888 2.081 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.294 0.748 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.799 2.429 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.558 1.265 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.788 2.565 -3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.604 3.053 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.316 4.180 -2.272 1.00 0.00 H new ATOM 607 N ASP A 37 16.521 0.347 0.007 1.00 0.00 N ATOM 608 CA ASP A 37 17.062 -0.931 0.543 1.00 0.00 C ATOM 609 C ASP A 37 16.663 -1.071 2.016 1.00 0.00 C ATOM 610 O ASP A 37 16.924 -2.077 2.652 1.00 0.00 O ATOM 611 CB ASP A 37 18.588 -0.909 0.424 1.00 0.00 C ATOM 612 CG ASP A 37 19.149 -2.304 0.702 1.00 0.00 C ATOM 613 OD1 ASP A 37 18.369 -3.178 1.040 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.350 -2.475 0.567 1.00 0.00 O ATOM 0 H ASP A 37 17.212 1.087 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 37 16.660 -1.773 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.879 -0.582 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.007 -0.191 1.129 1.00 0.00 H new ATOM 619 N ARG A 38 16.042 -0.066 2.562 1.00 0.00 N ATOM 620 CA ARG A 38 15.636 -0.123 3.995 1.00 0.00 C ATOM 621 C ARG A 38 14.341 -0.905 4.144 1.00 0.00 C ATOM 622 O ARG A 38 13.461 -0.831 3.306 1.00 0.00 O ATOM 623 CB ARG A 38 15.430 1.300 4.513 1.00 0.00 C ATOM 624 CG ARG A 38 16.745 2.083 4.437 1.00 0.00 C ATOM 625 CD ARG A 38 17.651 1.709 5.618 1.00 0.00 C ATOM 626 NE ARG A 38 18.851 2.589 5.618 1.00 0.00 N ATOM 627 CZ ARG A 38 19.783 2.421 6.516 1.00 0.00 C ATOM 628 NH1 ARG A 38 19.670 1.482 7.417 1.00 0.00 N ATOM 629 NH2 ARG A 38 20.829 3.195 6.511 1.00 0.00 N ATOM 0 H ARG A 38 15.796 0.797 2.077 1.00 0.00 H new ATOM 0 HA ARG A 38 16.418 -0.621 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.664 1.803 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.073 1.273 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.252 1.867 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.541 3.154 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.107 1.817 6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.952 0.664 5.543 1.00 0.00 H new ATOM 0 HE ARG A 38 18.945 3.323 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.850 0.875 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.402 1.355 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.917 3.928 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.561 3.068 7.210 1.00 0.00 H new ATOM 643 N THR A 39 14.229 -1.647 5.227 1.00 0.00 N ATOM 644 CA THR A 39 13.005 -2.464 5.490 1.00 0.00 C ATOM 645 C THR A 39 11.754 -1.729 4.974 1.00 0.00 C ATOM 646 O THR A 39 11.233 -0.853 5.635 1.00 0.00 O ATOM 647 CB THR A 39 12.869 -2.703 6.992 1.00 0.00 C ATOM 648 OG1 THR A 39 14.100 -3.209 7.491 1.00 0.00 O ATOM 649 CG2 THR A 39 11.758 -3.728 7.228 1.00 0.00 C ATOM 0 H THR A 39 14.948 -1.718 5.947 1.00 0.00 H new ATOM 0 HA THR A 39 13.096 -3.418 4.970 1.00 0.00 H new ATOM 0 HB THR A 39 12.624 -1.772 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.023 -3.364 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.650 -3.908 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.819 -3.345 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.012 -4.662 6.727 1.00 0.00 H new ATOM 657 N PRO A 40 11.282 -2.079 3.798 1.00 0.00 N ATOM 658 CA PRO A 40 10.084 -1.429 3.191 1.00 0.00 C ATOM 659 C PRO A 40 8.868 -1.456 4.113 1.00 0.00 C ATOM 660 O PRO A 40 8.671 -2.386 4.877 1.00 0.00 O ATOM 661 CB PRO A 40 9.821 -2.259 1.922 1.00 0.00 C ATOM 662 CG PRO A 40 11.143 -2.855 1.579 1.00 0.00 C ATOM 663 CD PRO A 40 11.835 -3.119 2.908 1.00 0.00 C ATOM 0 HA PRO A 40 10.259 -0.372 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.073 -3.031 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.446 -1.635 1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.021 -3.778 1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.730 -2.176 0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.621 -4.121 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.918 -3.037 2.820 1.00 0.00 H new ATOM 671 N ILE A 41 8.046 -0.438 4.043 1.00 0.00 N ATOM 672 CA ILE A 41 6.829 -0.381 4.906 1.00 0.00 C ATOM 673 C ILE A 41 5.579 -0.575 4.031 1.00 0.00 C ATOM 674 O ILE A 41 5.250 0.273 3.226 1.00 0.00 O ATOM 675 CB ILE A 41 6.769 0.974 5.606 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.111 1.239 6.307 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.644 0.961 6.643 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.487 0.057 7.220 1.00 0.00 C ATOM 0 H ILE A 41 8.168 0.361 3.420 1.00 0.00 H new ATOM 0 HA ILE A 41 6.869 -1.170 5.657 1.00 0.00 H new ATOM 0 HB ILE A 41 6.577 1.759 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.892 1.394 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.046 2.154 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.600 1.928 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.694 0.766 6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.836 0.180 7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.440 0.263 7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.714 -0.079 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.574 -0.851 6.623 1.00 0.00 H new ATOM 690 N PRO A 42 4.893 -1.693 4.172 1.00 0.00 N ATOM 691 CA PRO A 42 3.679 -1.996 3.363 1.00 0.00 C ATOM 692 C PRO A 42 2.462 -1.189 3.812 1.00 0.00 C ATOM 693 O PRO A 42 2.389 -0.724 4.936 1.00 0.00 O ATOM 694 CB PRO A 42 3.462 -3.501 3.579 1.00 0.00 C ATOM 695 CG PRO A 42 4.060 -3.796 4.916 1.00 0.00 C ATOM 696 CD PRO A 42 5.190 -2.786 5.121 1.00 0.00 C ATOM 0 HA PRO A 42 3.811 -1.730 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.402 -3.753 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.944 -4.085 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.312 -3.706 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.441 -4.817 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.215 -2.423 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.163 -3.234 4.918 1.00 0.00 H new ATOM 704 N THR A 43 1.504 -1.022 2.935 1.00 0.00 N ATOM 705 CA THR A 43 0.276 -0.250 3.281 1.00 0.00 C ATOM 706 C THR A 43 -0.956 -1.130 3.090 1.00 0.00 C ATOM 707 O THR A 43 -1.088 -1.841 2.105 1.00 0.00 O ATOM 708 CB THR A 43 0.167 0.988 2.388 1.00 0.00 C ATOM 709 OG1 THR A 43 -1.148 1.515 2.484 1.00 0.00 O ATOM 710 CG2 THR A 43 0.471 0.626 0.931 1.00 0.00 C ATOM 0 H THR A 43 1.523 -1.392 1.985 1.00 0.00 H new ATOM 0 HA THR A 43 0.337 0.066 4.322 1.00 0.00 H new ATOM 0 HB THR A 43 0.891 1.732 2.719 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.329 2.087 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.389 1.518 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.482 0.225 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.242 -0.123 0.586 1.00 0.00 H new ATOM 718 N THR A 44 -1.853 -1.082 4.043 1.00 0.00 N ATOM 719 CA THR A 44 -3.096 -1.901 3.979 1.00 0.00 C ATOM 720 C THR A 44 -4.292 -1.011 4.269 1.00 0.00 C ATOM 721 O THR A 44 -4.148 0.106 4.734 1.00 0.00 O ATOM 722 CB THR A 44 -3.035 -3.015 5.024 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.080 -2.446 6.325 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.739 -3.800 4.851 1.00 0.00 C ATOM 0 H THR A 44 -1.772 -0.499 4.876 1.00 0.00 H new ATOM 0 HA THR A 44 -3.190 -2.341 2.986 1.00 0.00 H new ATOM 0 HB THR A 44 -3.884 -3.686 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.043 -3.160 6.996 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.693 -4.595 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.708 -4.236 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.888 -3.131 4.982 1.00 0.00 H new ATOM 732 N TYR A 45 -5.480 -1.496 3.998 1.00 0.00 N ATOM 733 CA TYR A 45 -6.705 -0.686 4.255 1.00 0.00 C ATOM 734 C TYR A 45 -7.770 -1.578 4.930 1.00 0.00 C ATOM 735 O TYR A 45 -8.025 -2.675 4.480 1.00 0.00 O ATOM 736 CB TYR A 45 -7.238 -0.146 2.908 1.00 0.00 C ATOM 737 CG TYR A 45 -7.758 1.271 3.078 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.890 2.283 3.504 1.00 0.00 C ATOM 739 CD2 TYR A 45 -9.100 1.570 2.812 1.00 0.00 C ATOM 740 CE1 TYR A 45 -7.360 3.590 3.663 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.570 2.879 2.972 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.699 3.888 3.397 1.00 0.00 C ATOM 743 OH TYR A 45 -9.163 5.178 3.548 1.00 0.00 O ATOM 0 H TYR A 45 -5.651 -2.423 3.608 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.474 0.151 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.444 -0.162 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.035 -0.792 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.855 2.054 3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.772 0.791 2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.688 4.369 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.605 3.110 2.767 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.116 5.212 3.321 1.00 0.00 H new ATOM 753 N PRO A 46 -8.402 -1.112 5.988 1.00 0.00 N ATOM 754 CA PRO A 46 -9.462 -1.893 6.693 1.00 0.00 C ATOM 755 C PRO A 46 -10.445 -2.528 5.701 1.00 0.00 C ATOM 756 O PRO A 46 -11.255 -3.367 6.051 1.00 0.00 O ATOM 757 CB PRO A 46 -10.175 -0.835 7.551 1.00 0.00 C ATOM 758 CG PRO A 46 -9.152 0.228 7.808 1.00 0.00 C ATOM 759 CD PRO A 46 -8.175 0.196 6.630 1.00 0.00 C ATOM 0 HA PRO A 46 -9.053 -2.719 7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.042 -0.428 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.536 -1.266 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.624 1.207 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.631 0.044 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.365 1.015 5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.144 0.297 6.968 1.00 0.00 H new ATOM 767 N GLU A 47 -10.380 -2.115 4.465 1.00 0.00 N ATOM 768 CA GLU A 47 -11.304 -2.658 3.436 1.00 0.00 C ATOM 769 C GLU A 47 -10.754 -3.970 2.883 1.00 0.00 C ATOM 770 O GLU A 47 -9.578 -4.259 2.992 1.00 0.00 O ATOM 771 CB GLU A 47 -11.430 -1.652 2.293 1.00 0.00 C ATOM 772 CG GLU A 47 -12.174 -0.411 2.788 1.00 0.00 C ATOM 773 CD GLU A 47 -12.234 0.632 1.669 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.743 0.344 0.590 1.00 0.00 O ATOM 775 OE2 GLU A 47 -12.767 1.702 1.913 1.00 0.00 O ATOM 0 H GLU A 47 -9.719 -1.418 4.123 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.279 -2.836 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.441 -1.375 1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.965 -2.101 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.182 -0.680 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.669 0.005 3.660 1.00 0.00 H new ATOM 782 N PHE A 48 -11.605 -4.764 2.282 1.00 0.00 N ATOM 783 CA PHE A 48 -11.157 -6.065 1.703 1.00 0.00 C ATOM 784 C PHE A 48 -11.686 -6.193 0.275 1.00 0.00 C ATOM 785 O PHE A 48 -12.746 -5.695 -0.060 1.00 0.00 O ATOM 786 CB PHE A 48 -11.698 -7.220 2.556 1.00 0.00 C ATOM 787 CG PHE A 48 -11.678 -6.827 4.015 1.00 0.00 C ATOM 788 CD1 PHE A 48 -12.655 -5.958 4.516 1.00 0.00 C ATOM 789 CD2 PHE A 48 -10.691 -7.336 4.866 1.00 0.00 C ATOM 790 CE1 PHE A 48 -12.643 -5.597 5.869 1.00 0.00 C ATOM 791 CE2 PHE A 48 -10.680 -6.977 6.219 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.656 -6.106 6.720 1.00 0.00 C ATOM 0 H PHE A 48 -12.599 -4.564 2.168 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.068 -6.103 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.715 -7.466 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.093 -8.114 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.418 -5.566 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.937 -8.006 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.396 -4.926 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.919 -7.371 6.876 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.647 -5.827 7.763 1.00 0.00 H new ATOM 802 N TYR A 49 -10.952 -6.865 -0.569 1.00 0.00 N ATOM 803 CA TYR A 49 -11.395 -7.047 -1.977 1.00 0.00 C ATOM 804 C TYR A 49 -10.860 -8.376 -2.505 1.00 0.00 C ATOM 805 O TYR A 49 -9.665 -8.595 -2.581 1.00 0.00 O ATOM 806 CB TYR A 49 -10.871 -5.895 -2.834 1.00 0.00 C ATOM 807 CG TYR A 49 -11.582 -4.619 -2.440 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.952 -4.483 -2.685 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.873 -3.575 -1.833 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.615 -3.304 -2.324 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.535 -2.397 -1.472 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.906 -2.261 -1.716 1.00 0.00 C ATOM 813 OH TYR A 49 -13.560 -1.099 -1.362 1.00 0.00 O ATOM 0 H TYR A 49 -10.058 -7.299 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.484 -7.053 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.795 -5.784 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.037 -6.107 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.499 -5.288 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.815 -3.679 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.673 -3.199 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.988 -1.592 -1.005 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.011 -0.596 -0.724 1.00 0.00 H new ATOM 823 N ASP A 50 -11.742 -9.260 -2.879 1.00 0.00 N ATOM 824 CA ASP A 50 -11.312 -10.581 -3.418 1.00 0.00 C ATOM 825 C ASP A 50 -10.774 -10.389 -4.839 1.00 0.00 C ATOM 826 O ASP A 50 -10.148 -11.266 -5.406 1.00 0.00 O ATOM 827 CB ASP A 50 -12.516 -11.525 -3.451 1.00 0.00 C ATOM 828 CG ASP A 50 -12.916 -11.897 -2.021 1.00 0.00 C ATOM 829 OD1 ASP A 50 -12.165 -11.580 -1.116 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.970 -12.492 -1.859 1.00 0.00 O ATOM 0 H ASP A 50 -12.752 -9.123 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.533 -11.006 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.352 -11.046 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.271 -12.424 -4.016 1.00 0.00 H new ATOM 835 N LEU A 51 -11.020 -9.243 -5.422 1.00 0.00 N ATOM 836 CA LEU A 51 -10.541 -8.985 -6.812 1.00 0.00 C ATOM 837 C LEU A 51 -9.195 -8.260 -6.772 1.00 0.00 C ATOM 838 O LEU A 51 -9.027 -7.253 -6.109 1.00 0.00 O ATOM 839 CB LEU A 51 -11.570 -8.119 -7.548 1.00 0.00 C ATOM 840 CG LEU A 51 -12.944 -8.803 -7.512 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.978 -7.908 -8.202 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.875 -10.159 -8.235 1.00 0.00 C ATOM 0 H LEU A 51 -11.534 -8.473 -4.993 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.418 -9.934 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.631 -7.135 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.257 -7.964 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.235 -8.966 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.954 -8.393 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.035 -6.951 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.682 -7.742 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.854 -10.638 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.579 -10.004 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.143 -10.798 -7.741 1.00 0.00 H new ATOM 854 N GLU A 52 -8.234 -8.781 -7.485 1.00 0.00 N ATOM 855 CA GLU A 52 -6.879 -8.164 -7.525 1.00 0.00 C ATOM 856 C GLU A 52 -6.935 -6.812 -8.241 1.00 0.00 C ATOM 857 O GLU A 52 -6.232 -5.878 -7.894 1.00 0.00 O ATOM 858 CB GLU A 52 -5.929 -9.109 -8.272 1.00 0.00 C ATOM 859 CG GLU A 52 -6.272 -9.149 -9.770 1.00 0.00 C ATOM 860 CD GLU A 52 -7.733 -9.558 -9.965 1.00 0.00 C ATOM 861 OE1 GLU A 52 -8.104 -10.611 -9.473 1.00 0.00 O ATOM 862 OE2 GLU A 52 -8.459 -8.810 -10.601 1.00 0.00 O ATOM 0 H GLU A 52 -8.334 -9.623 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.521 -8.003 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.899 -8.778 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.999 -10.112 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.098 -8.170 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.618 -9.854 -10.282 1.00 0.00 H new ATOM 869 N ALA A 53 -7.753 -6.707 -9.250 1.00 0.00 N ATOM 870 CA ALA A 53 -7.849 -5.428 -10.010 1.00 0.00 C ATOM 871 C ALA A 53 -8.270 -4.299 -9.070 1.00 0.00 C ATOM 872 O ALA A 53 -7.730 -3.207 -9.104 1.00 0.00 O ATOM 873 CB ALA A 53 -8.897 -5.580 -11.113 1.00 0.00 C ATOM 0 H ALA A 53 -8.362 -7.454 -9.583 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.879 -5.191 -10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.973 -4.648 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.603 -6.385 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.863 -5.815 -10.667 1.00 0.00 H new ATOM 879 N ASP A 54 -9.230 -4.555 -8.230 1.00 0.00 N ATOM 880 CA ASP A 54 -9.693 -3.510 -7.276 1.00 0.00 C ATOM 881 C ASP A 54 -8.572 -3.190 -6.283 1.00 0.00 C ATOM 882 O ASP A 54 -8.361 -2.051 -5.904 1.00 0.00 O ATOM 883 CB ASP A 54 -10.911 -4.032 -6.517 1.00 0.00 C ATOM 884 CG ASP A 54 -11.537 -2.894 -5.710 1.00 0.00 C ATOM 885 OD1 ASP A 54 -11.152 -1.757 -5.927 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.391 -3.179 -4.886 1.00 0.00 O ATOM 0 H ASP A 54 -9.718 -5.448 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.959 -2.605 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.641 -4.440 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.618 -4.844 -5.852 1.00 0.00 H new ATOM 891 N ALA A 55 -7.855 -4.193 -5.860 1.00 0.00 N ATOM 892 CA ALA A 55 -6.742 -3.975 -4.891 1.00 0.00 C ATOM 893 C ALA A 55 -5.661 -3.106 -5.538 1.00 0.00 C ATOM 894 O ALA A 55 -5.047 -2.272 -4.897 1.00 0.00 O ATOM 895 CB ALA A 55 -6.141 -5.328 -4.512 1.00 0.00 C ATOM 0 H ALA A 55 -7.992 -5.163 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.124 -3.474 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.326 -5.179 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.909 -5.952 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.759 -5.820 -5.406 1.00 0.00 H new ATOM 901 N GLU A 56 -5.422 -3.300 -6.805 1.00 0.00 N ATOM 902 CA GLU A 56 -4.385 -2.490 -7.509 1.00 0.00 C ATOM 903 C GLU A 56 -4.804 -1.018 -7.532 1.00 0.00 C ATOM 904 O GLU A 56 -4.043 -0.134 -7.182 1.00 0.00 O ATOM 905 CB GLU A 56 -4.267 -2.995 -8.946 1.00 0.00 C ATOM 906 CG GLU A 56 -3.603 -4.371 -8.969 1.00 0.00 C ATOM 907 CD GLU A 56 -2.117 -4.223 -8.640 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.596 -3.135 -8.821 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.524 -5.203 -8.227 1.00 0.00 O ATOM 0 H GLU A 56 -5.901 -3.987 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.431 -2.585 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.256 -3.053 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.683 -2.291 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.083 -5.031 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.726 -4.830 -9.950 1.00 0.00 H new ATOM 916 N ARG A 57 -6.009 -0.753 -7.947 1.00 0.00 N ATOM 917 CA ARG A 57 -6.495 0.655 -8.001 1.00 0.00 C ATOM 918 C ARG A 57 -6.626 1.214 -6.582 1.00 0.00 C ATOM 919 O ARG A 57 -6.243 2.335 -6.299 1.00 0.00 O ATOM 920 CB ARG A 57 -7.866 0.679 -8.682 1.00 0.00 C ATOM 921 CG ARG A 57 -8.350 2.123 -8.831 1.00 0.00 C ATOM 922 CD ARG A 57 -9.716 2.136 -9.521 1.00 0.00 C ATOM 923 NE ARG A 57 -10.106 3.545 -9.829 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.714 4.279 -8.933 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.992 3.794 -7.754 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.045 5.507 -9.224 1.00 0.00 N ATOM 0 H ARG A 57 -6.683 -1.454 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.787 1.265 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.803 0.205 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.583 0.105 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.421 2.597 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.631 2.700 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.677 1.549 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.464 1.673 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.896 3.938 -10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.735 2.834 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.466 4.375 -7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.830 5.889 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.519 6.085 -8.530 1.00 0.00 H new ATOM 940 N VAL A 58 -7.176 0.439 -5.692 1.00 0.00 N ATOM 941 CA VAL A 58 -7.351 0.900 -4.284 1.00 0.00 C ATOM 942 C VAL A 58 -5.987 1.056 -3.604 1.00 0.00 C ATOM 943 O VAL A 58 -5.743 2.005 -2.881 1.00 0.00 O ATOM 944 CB VAL A 58 -8.189 -0.126 -3.518 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.250 0.260 -2.037 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.610 -0.168 -4.094 1.00 0.00 C ATOM 0 H VAL A 58 -7.516 -0.504 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.857 1.865 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.729 -1.109 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.847 -0.473 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.241 0.282 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.705 1.245 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.203 -0.900 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.070 0.816 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.568 -0.450 -5.146 1.00 0.00 H new ATOM 956 N SER A 59 -5.104 0.119 -3.810 1.00 0.00 N ATOM 957 CA SER A 59 -3.764 0.199 -3.161 1.00 0.00 C ATOM 958 C SER A 59 -3.043 1.480 -3.592 1.00 0.00 C ATOM 959 O SER A 59 -2.409 2.146 -2.793 1.00 0.00 O ATOM 960 CB SER A 59 -2.934 -1.026 -3.561 1.00 0.00 C ATOM 961 OG SER A 59 -2.802 -1.065 -4.975 1.00 0.00 O ATOM 0 H SER A 59 -5.252 -0.700 -4.400 1.00 0.00 H new ATOM 0 HA SER A 59 -3.890 0.217 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.950 -0.981 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.415 -1.937 -3.204 1.00 0.00 H new ATOM 0 HG SER A 59 -3.679 -1.229 -5.381 1.00 0.00 H new ATOM 967 N ILE A 60 -3.132 1.837 -4.841 1.00 0.00 N ATOM 968 CA ILE A 60 -2.455 3.083 -5.307 1.00 0.00 C ATOM 969 C ILE A 60 -3.111 4.302 -4.641 1.00 0.00 C ATOM 970 O ILE A 60 -2.444 5.211 -4.172 1.00 0.00 O ATOM 971 CB ILE A 60 -2.593 3.194 -6.829 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.788 2.078 -7.497 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.062 4.551 -7.296 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.169 1.976 -8.976 1.00 0.00 C ATOM 0 H ILE A 60 -3.642 1.323 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.399 3.049 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.644 3.102 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.721 2.279 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.980 1.129 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.161 4.627 -8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.634 5.348 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.012 4.645 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.592 1.179 -9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.233 1.754 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.954 2.922 -9.473 1.00 0.00 H new ATOM 986 N ALA A 61 -4.415 4.324 -4.601 1.00 0.00 N ATOM 987 CA ALA A 61 -5.129 5.472 -3.974 1.00 0.00 C ATOM 988 C ALA A 61 -4.872 5.484 -2.465 1.00 0.00 C ATOM 989 O ALA A 61 -4.589 6.513 -1.874 1.00 0.00 O ATOM 990 CB ALA A 61 -6.633 5.320 -4.227 1.00 0.00 C ATOM 0 H ALA A 61 -5.019 3.593 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.767 6.405 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.165 6.156 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.822 5.311 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.983 4.385 -3.789 1.00 0.00 H new ATOM 996 N CYS A 62 -4.968 4.347 -1.838 1.00 0.00 N ATOM 997 CA CYS A 62 -4.733 4.274 -0.369 1.00 0.00 C ATOM 998 C CYS A 62 -3.262 4.559 -0.060 1.00 0.00 C ATOM 999 O CYS A 62 -2.937 5.330 0.826 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.087 2.868 0.121 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.856 2.567 -0.111 1.00 0.00 S ATOM 0 H CYS A 62 -5.201 3.459 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.354 5.015 0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.507 2.125 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.826 2.763 1.174 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.373 2.139 1.002 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.372 3.947 -0.789 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.920 4.170 -0.545 1.00 0.00 C ATOM 1009 C ALA A 63 -0.636 5.670 -0.443 1.00 0.00 C ATOM 1010 O ALA A 63 0.060 6.123 0.450 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.124 3.583 -1.713 1.00 0.00 C ATOM 0 H ALA A 63 -2.589 3.299 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.628 3.686 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.941 3.741 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.324 2.514 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.421 4.075 -2.639 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.168 6.443 -1.346 1.00 0.00 N ATOM 1018 CA LYS A 64 -0.937 7.916 -1.297 1.00 0.00 C ATOM 1019 C LYS A 64 -1.544 8.484 -0.011 1.00 0.00 C ATOM 1020 O LYS A 64 -0.963 9.328 0.649 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.618 8.571 -2.498 1.00 0.00 C ATOM 1022 CG LYS A 64 -0.934 8.126 -3.791 1.00 0.00 C ATOM 1023 CD LYS A 64 -1.648 8.758 -4.988 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.010 8.263 -6.287 1.00 0.00 C ATOM 1025 NZ LYS A 64 0.387 8.771 -6.380 1.00 0.00 N ATOM 0 H LYS A 64 -1.753 6.121 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 64 0.134 8.118 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.673 8.298 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.571 9.656 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.115 8.423 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.957 7.039 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.707 8.500 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.583 9.845 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.014 7.173 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.591 8.606 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.492 9.342 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.599 9.358 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.047 7.968 -6.414 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.712 8.028 0.343 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.376 8.530 1.584 1.00 0.00 C ATOM 1041 C ILE A 65 -2.545 8.137 2.809 1.00 0.00 C ATOM 1042 O ILE A 65 -2.333 8.923 3.714 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.772 7.909 1.689 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.663 8.473 0.577 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.383 8.234 3.055 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.981 7.692 0.508 1.00 0.00 C ATOM 0 H ILE A 65 -3.240 7.326 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.458 9.616 1.543 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.696 6.827 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.866 9.528 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.145 8.412 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.376 7.790 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.748 7.829 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.460 9.315 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.606 8.102 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.772 6.643 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.504 7.776 1.461 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.083 6.922 2.841 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.264 6.460 3.995 1.00 0.00 C ATOM 1060 C ILE A 66 0.022 7.285 4.055 1.00 0.00 C ATOM 1061 O ILE A 66 0.442 7.725 5.107 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.934 4.962 3.809 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -2.097 4.081 4.309 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.350 4.594 4.569 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -3.239 4.082 3.292 1.00 0.00 C ATOM 0 H ILE A 66 -2.237 6.224 2.114 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.813 6.590 4.927 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.784 4.782 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.746 3.062 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.456 4.451 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.566 3.535 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.181 5.189 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.215 4.797 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.053 3.456 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.600 5.101 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.879 3.690 2.341 1.00 0.00 H new ATOM 1077 N ILE A 67 0.641 7.496 2.935 1.00 0.00 N ATOM 1078 CA ILE A 67 1.898 8.291 2.916 1.00 0.00 C ATOM 1079 C ILE A 67 1.599 9.716 3.384 1.00 0.00 C ATOM 1080 O ILE A 67 2.325 10.292 4.176 1.00 0.00 O ATOM 1081 CB ILE A 67 2.437 8.313 1.483 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.932 6.913 1.101 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.586 9.316 1.375 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.109 6.819 -0.417 1.00 0.00 C ATOM 0 H ILE A 67 0.332 7.152 2.026 1.00 0.00 H new ATOM 0 HA ILE A 67 2.640 7.848 3.581 1.00 0.00 H new ATOM 0 HB ILE A 67 1.640 8.613 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.878 6.704 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.220 6.161 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.965 9.327 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.227 10.311 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.387 9.027 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.461 5.822 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.154 7.009 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.838 7.560 -0.745 1.00 0.00 H new ATOM 1096 N ASP A 68 0.531 10.282 2.903 1.00 0.00 N ATOM 1097 CA ASP A 68 0.159 11.664 3.314 1.00 0.00 C ATOM 1098 C ASP A 68 -0.185 11.673 4.806 1.00 0.00 C ATOM 1099 O ASP A 68 0.204 12.559 5.547 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.060 12.108 2.503 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.466 13.526 2.907 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.897 14.038 3.856 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.343 14.074 2.260 1.00 0.00 O ATOM 0 H ASP A 68 -0.106 9.844 2.237 1.00 0.00 H new ATOM 0 HA ASP A 68 0.990 12.345 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.830 12.076 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.889 11.421 2.671 1.00 0.00 H new ATOM 1108 N SER A 69 -0.911 10.685 5.247 1.00 0.00 N ATOM 1109 CA SER A 69 -1.289 10.604 6.687 1.00 0.00 C ATOM 1110 C SER A 69 -0.054 10.285 7.529 1.00 0.00 C ATOM 1111 O SER A 69 0.081 10.734 8.654 1.00 0.00 O ATOM 1112 CB SER A 69 -2.330 9.500 6.873 1.00 0.00 C ATOM 1113 OG SER A 69 -2.723 9.448 8.239 1.00 0.00 O ATOM 0 H SER A 69 -1.262 9.923 4.667 1.00 0.00 H new ATOM 0 HA SER A 69 -1.704 11.560 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.197 9.692 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.917 8.539 6.565 1.00 0.00 H new ATOM 0 HG SER A 69 -3.392 8.742 8.360 1.00 0.00 H new ATOM 1119 N HIS A 70 0.847 9.509 6.998 1.00 0.00 N ATOM 1120 CA HIS A 70 2.072 9.158 7.766 1.00 0.00 C ATOM 1121 C HIS A 70 2.800 10.451 8.152 1.00 0.00 C ATOM 1122 O HIS A 70 3.211 10.641 9.284 1.00 0.00 O ATOM 1123 CB HIS A 70 2.983 8.269 6.876 1.00 0.00 C ATOM 1124 CG HIS A 70 4.386 8.835 6.808 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.981 9.207 5.614 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.303 9.127 7.786 1.00 0.00 C ATOM 1127 CE1 HIS A 70 6.200 9.691 5.904 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.447 9.663 7.213 1.00 0.00 N ATOM 0 H HIS A 70 0.788 9.102 6.064 1.00 0.00 H new ATOM 0 HA HIS A 70 1.814 8.610 8.672 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.014 7.256 7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.564 8.202 5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.156 8.964 8.843 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.896 10.059 5.165 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.294 9.970 7.691 1.00 0.00 H new ATOM 1136 N LEU A 71 2.974 11.328 7.210 1.00 0.00 N ATOM 1137 CA LEU A 71 3.683 12.601 7.500 1.00 0.00 C ATOM 1138 C LEU A 71 2.866 13.404 8.502 1.00 0.00 C ATOM 1139 O LEU A 71 3.395 14.012 9.417 1.00 0.00 O ATOM 1140 CB LEU A 71 3.853 13.396 6.199 1.00 0.00 C ATOM 1141 CG LEU A 71 4.845 12.683 5.264 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.755 13.297 3.861 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.284 12.837 5.793 1.00 0.00 C ATOM 0 H LEU A 71 2.655 11.219 6.247 1.00 0.00 H new ATOM 0 HA LEU A 71 4.668 12.395 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.889 13.505 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.211 14.401 6.423 1.00 0.00 H new ATOM 0 HG LEU A 71 4.592 11.624 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.457 12.793 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.742 13.178 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.001 14.358 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.975 12.328 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.542 13.895 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.355 12.398 6.788 1.00 0.00 H new ATOM 1155 N ASP A 72 1.579 13.402 8.337 1.00 0.00 N ATOM 1156 CA ASP A 72 0.697 14.149 9.269 1.00 0.00 C ATOM 1157 C ASP A 72 0.437 13.306 10.522 1.00 0.00 C ATOM 1158 O ASP A 72 1.026 13.520 11.567 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.635 14.429 8.571 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.571 15.179 9.521 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -1.211 15.339 10.675 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.636 15.578 9.078 1.00 0.00 O ATOM 0 H ASP A 72 1.093 12.909 7.588 1.00 0.00 H new ATOM 0 HA ASP A 72 1.177 15.085 9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.467 15.019 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.095 13.492 8.257 1.00 0.00 H new ATOM 1167 N ARG A 73 -0.453 12.356 10.422 1.00 0.00 N ATOM 1168 CA ARG A 73 -0.779 11.498 11.597 1.00 0.00 C ATOM 1169 C ARG A 73 0.273 10.396 11.771 1.00 0.00 C ATOM 1170 O ARG A 73 0.836 9.893 10.816 1.00 0.00 O ATOM 1171 CB ARG A 73 -2.157 10.860 11.396 1.00 0.00 C ATOM 1172 CG ARG A 73 -3.239 11.943 11.434 1.00 0.00 C ATOM 1173 CD ARG A 73 -4.613 11.304 11.211 1.00 0.00 C ATOM 1174 NE ARG A 73 -5.673 12.358 11.247 1.00 0.00 N ATOM 1175 CZ ARG A 73 -6.004 13.006 10.158 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -5.391 12.762 9.032 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -6.949 13.905 10.201 1.00 0.00 N ATOM 0 H ARG A 73 -0.971 12.136 9.571 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.785 12.120 12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.189 10.334 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.343 10.120 12.174 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.218 12.459 12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.046 12.692 10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.633 10.788 10.251 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.805 10.555 11.980 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.142 12.574 12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.649 12.063 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.654 13.270 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.427 14.101 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.210 14.412 9.355 1.00 0.00 H new ATOM 1191 N HIS A 74 0.527 10.023 13.002 1.00 0.00 N ATOM 1192 CA HIS A 74 1.524 8.955 13.302 1.00 0.00 C ATOM 1193 C HIS A 74 2.901 9.336 12.743 1.00 0.00 C ATOM 1194 O HIS A 74 3.074 9.556 11.558 1.00 0.00 O ATOM 1195 CB HIS A 74 1.058 7.618 12.706 1.00 0.00 C ATOM 1196 CG HIS A 74 -0.230 7.197 13.365 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -0.991 6.142 12.889 1.00 0.00 N ATOM 1198 CD2 HIS A 74 -0.904 7.678 14.464 1.00 0.00 C ATOM 1199 CE1 HIS A 74 -2.068 6.023 13.689 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -2.064 6.935 14.665 1.00 0.00 N ATOM 0 H HIS A 74 0.075 10.423 13.824 1.00 0.00 H new ATOM 0 HA HIS A 74 1.608 8.848 14.383 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.913 7.718 11.630 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.822 6.855 12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.582 8.506 15.078 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.841 5.280 13.557 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.761 7.060 15.399 1.00 0.00 H new ATOM 1208 N ASP A 75 3.890 9.403 13.602 1.00 0.00 N ATOM 1209 CA ASP A 75 5.270 9.759 13.161 1.00 0.00 C ATOM 1210 C ASP A 75 6.053 8.473 12.869 1.00 0.00 C ATOM 1211 O ASP A 75 7.068 8.485 12.194 1.00 0.00 O ATOM 1212 CB ASP A 75 5.968 10.539 14.281 1.00 0.00 C ATOM 1213 CG ASP A 75 7.303 11.091 13.773 1.00 0.00 C ATOM 1214 OD1 ASP A 75 7.518 11.057 12.573 1.00 0.00 O ATOM 1215 OD2 ASP A 75 8.088 11.540 14.594 1.00 0.00 O ATOM 0 H ASP A 75 3.795 9.223 14.602 1.00 0.00 H new ATOM 0 HA ASP A 75 5.226 10.371 12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.331 11.356 14.619 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.136 9.889 15.140 1.00 0.00 H new ATOM 1220 N GLN A 76 5.588 7.362 13.377 1.00 0.00 N ATOM 1221 CA GLN A 76 6.293 6.067 13.138 1.00 0.00 C ATOM 1222 C GLN A 76 5.910 5.521 11.759 1.00 0.00 C ATOM 1223 O GLN A 76 6.449 4.529 11.300 1.00 0.00 O ATOM 1224 CB GLN A 76 5.888 5.062 14.224 1.00 0.00 C ATOM 1225 CG GLN A 76 6.325 5.579 15.601 1.00 0.00 C ATOM 1226 CD GLN A 76 7.852 5.680 15.657 1.00 0.00 C ATOM 1227 OE1 GLN A 76 8.548 4.716 15.395 1.00 0.00 O ATOM 1228 NE2 GLN A 76 8.406 6.814 15.986 1.00 0.00 N ATOM 0 H GLN A 76 4.747 7.295 13.950 1.00 0.00 H new ATOM 0 HA GLN A 76 7.371 6.225 13.173 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.809 4.911 14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.348 4.094 14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.880 6.556 15.791 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.967 4.908 16.382 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.823 7.622 16.205 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.422 6.893 16.024 1.00 0.00 H new ATOM 1237 N GLY A 77 4.978 6.165 11.100 1.00 0.00 N ATOM 1238 CA GLY A 77 4.534 5.709 9.742 1.00 0.00 C ATOM 1239 C GLY A 77 5.731 5.230 8.915 1.00 0.00 C ATOM 1240 O GLY A 77 6.012 4.047 8.834 1.00 0.00 O ATOM 0 H GLY A 77 4.500 6.996 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.809 4.902 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.031 6.526 9.225 1.00 0.00 H new ATOM 1244 N LEU A 78 6.434 6.142 8.300 1.00 0.00 N ATOM 1245 CA LEU A 78 7.620 5.772 7.470 1.00 0.00 C ATOM 1246 C LEU A 78 8.890 6.243 8.184 1.00 0.00 C ATOM 1247 O LEU A 78 9.872 6.608 7.563 1.00 0.00 O ATOM 1248 CB LEU A 78 7.502 6.451 6.104 1.00 0.00 C ATOM 1249 CG LEU A 78 6.120 6.156 5.510 1.00 0.00 C ATOM 1250 CD1 LEU A 78 6.000 6.819 4.133 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.917 4.640 5.376 1.00 0.00 C ATOM 0 H LEU A 78 6.235 7.142 8.337 1.00 0.00 H new ATOM 0 HA LEU A 78 7.665 4.692 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.645 7.527 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.283 6.088 5.436 1.00 0.00 H new ATOM 0 HG LEU A 78 5.354 6.558 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.017 6.608 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.127 7.897 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.770 6.424 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.932 4.441 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.684 4.227 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.991 4.175 6.359 1.00 0.00 H new ATOM 1263 N ALA A 79 8.875 6.227 9.489 1.00 0.00 N ATOM 1264 CA ALA A 79 10.071 6.660 10.266 1.00 0.00 C ATOM 1265 C ALA A 79 11.258 5.755 9.916 1.00 0.00 C ATOM 1266 O ALA A 79 12.393 6.187 9.865 1.00 0.00 O ATOM 1267 CB ALA A 79 9.763 6.541 11.760 1.00 0.00 C ATOM 0 H ALA A 79 8.079 5.930 10.054 1.00 0.00 H new ATOM 0 HA ALA A 79 10.318 7.693 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.633 6.856 12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.913 7.177 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.523 5.505 12.001 1.00 0.00 H new ATOM 1273 N ASP A 80 10.997 4.498 9.680 1.00 0.00 N ATOM 1274 CA ASP A 80 12.101 3.552 9.332 1.00 0.00 C ATOM 1275 C ASP A 80 12.730 3.977 8.002 1.00 0.00 C ATOM 1276 O ASP A 80 13.931 3.882 7.808 1.00 0.00 O ATOM 1277 CB ASP A 80 11.529 2.131 9.197 1.00 0.00 C ATOM 1278 CG ASP A 80 11.439 1.451 10.569 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.903 2.032 11.534 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.911 0.352 10.623 1.00 0.00 O ATOM 0 H ASP A 80 10.066 4.083 9.713 1.00 0.00 H new ATOM 0 HA ASP A 80 12.859 3.567 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.540 2.173 8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.161 1.541 8.534 1.00 0.00 H new ATOM 1285 N LEU A 81 11.936 4.441 7.083 1.00 0.00 N ATOM 1286 CA LEU A 81 12.489 4.873 5.770 1.00 0.00 C ATOM 1287 C LEU A 81 12.929 6.332 5.877 1.00 0.00 C ATOM 1288 O LEU A 81 13.523 6.886 4.970 1.00 0.00 O ATOM 1289 CB LEU A 81 11.400 4.729 4.699 1.00 0.00 C ATOM 1290 CG LEU A 81 10.906 3.277 4.652 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.756 3.163 3.644 1.00 0.00 C ATOM 1292 CD2 LEU A 81 12.053 2.342 4.226 1.00 0.00 C ATOM 0 H LEU A 81 10.926 4.541 7.183 1.00 0.00 H new ATOM 0 HA LEU A 81 13.345 4.257 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.569 5.399 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.794 5.021 3.725 1.00 0.00 H new ATOM 0 HG LEU A 81 10.558 2.986 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.404 2.132 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.938 3.816 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.108 3.460 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.692 1.314 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.410 2.631 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.870 2.419 4.943 1.00 0.00 H new ATOM 1304 N GLY A 82 12.654 6.953 6.991 1.00 0.00 N ATOM 1305 CA GLY A 82 13.061 8.375 7.175 1.00 0.00 C ATOM 1306 C GLY A 82 12.363 8.948 8.410 1.00 0.00 C ATOM 1307 O GLY A 82 11.275 9.482 8.256 1.00 0.00 O ATOM 1308 OXT GLY A 82 12.925 8.843 9.486 1.00 0.00 O ATOM 0 H GLY A 82 12.164 6.537 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.143 8.443 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.798 8.957 6.292 1.00 0.00 H new TER 1312 GLY A 82