USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 39 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 140:sc= -0.997 (180deg=-3.68!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -49:sc= 0.915 USER MOD Single : A 26 ASN : amide:sc= -6.61! C(o=-6.6!,f=-12!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.341 USER MOD Single : A 32 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.0068) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 54 THR OG1 : rot 68:sc= 0.42 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -1.8 (180deg=-2.07!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 65 GLN : amide:sc= -0.419 K(o=-0.42,f=-15!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.662 K(o=-0.66,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.274 4.527 2.581 1.00 0.00 N ATOM 2 CA MET A 1 -13.345 3.451 1.597 1.00 0.00 C ATOM 3 C MET A 1 -14.307 3.809 0.469 1.00 0.00 C ATOM 4 O MET A 1 -15.514 3.920 0.681 1.00 0.00 O ATOM 5 CB MET A 1 -13.788 2.149 2.266 1.00 0.00 C ATOM 6 CG MET A 1 -13.263 0.902 1.574 1.00 0.00 C ATOM 7 SD MET A 1 -14.229 0.457 0.117 1.00 0.00 S ATOM 8 CE MET A 1 -14.410 -1.308 0.356 1.00 0.00 C ATOM 0 H1 MET A 1 -12.614 4.261 3.339 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.940 5.397 2.120 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.218 4.690 2.986 1.00 0.00 H new ATOM 0 HA MET A 1 -12.350 3.314 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.450 2.149 3.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.877 2.112 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.225 1.063 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.271 0.070 2.278 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.987 -1.729 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.425 -1.774 0.385 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.928 -1.497 1.296 1.00 0.00 H new ATOM 16 N ALA A 2 -13.764 3.990 -0.730 1.00 0.00 N ATOM 17 CA ALA A 2 -14.574 4.333 -1.892 1.00 0.00 C ATOM 18 C ALA A 2 -14.510 3.236 -2.950 1.00 0.00 C ATOM 19 O ALA A 2 -15.495 2.541 -3.197 1.00 0.00 O ATOM 20 CB ALA A 2 -14.120 5.661 -2.479 1.00 0.00 C ATOM 0 H ALA A 2 -12.766 3.905 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.610 4.427 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.734 5.904 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.224 6.445 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.076 5.586 -2.783 1.00 0.00 H new ATOM 26 N ARG A 3 -13.345 3.088 -3.572 1.00 0.00 N ATOM 27 CA ARG A 3 -13.154 2.076 -4.604 1.00 0.00 C ATOM 28 C ARG A 3 -12.528 0.814 -4.020 1.00 0.00 C ATOM 29 O ARG A 3 -12.378 0.688 -2.805 1.00 0.00 O ATOM 30 CB ARG A 3 -12.270 2.624 -5.727 1.00 0.00 C ATOM 31 CG ARG A 3 -12.666 4.017 -6.190 1.00 0.00 C ATOM 32 CD ARG A 3 -11.758 4.512 -7.305 1.00 0.00 C ATOM 33 NE ARG A 3 -12.351 5.626 -8.040 1.00 0.00 N ATOM 34 CZ ARG A 3 -11.900 6.056 -9.212 1.00 0.00 C ATOM 35 NH1 ARG A 3 -10.857 5.469 -9.781 1.00 0.00 N ATOM 36 NH2 ARG A 3 -12.493 7.077 -9.819 1.00 0.00 N ATOM 0 H ARG A 3 -12.520 3.656 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.132 1.820 -5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.235 2.644 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.312 1.942 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.699 4.006 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.621 4.708 -5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.803 4.824 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.550 3.693 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.156 6.100 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.398 4.684 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.513 5.802 -10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.296 7.532 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.146 7.407 -10.720 1.00 0.00 H new ATOM 47 N GLY A 4 -12.165 -0.121 -4.893 1.00 0.00 N ATOM 48 CA GLY A 4 -11.561 -1.361 -4.445 1.00 0.00 C ATOM 49 C GLY A 4 -11.126 -2.245 -5.597 1.00 0.00 C ATOM 50 O GLY A 4 -11.737 -2.227 -6.667 1.00 0.00 O ATOM 0 H GLY A 4 -12.279 -0.041 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.698 -1.135 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.273 -1.904 -3.823 1.00 0.00 H new ATOM 54 N SER A 5 -10.068 -3.019 -5.381 1.00 0.00 N ATOM 55 CA SER A 5 -9.549 -3.909 -6.413 1.00 0.00 C ATOM 56 C SER A 5 -9.351 -5.319 -5.865 1.00 0.00 C ATOM 57 O SER A 5 -9.912 -6.285 -6.385 1.00 0.00 O ATOM 58 CB SER A 5 -8.225 -3.373 -6.962 1.00 0.00 C ATOM 59 OG SER A 5 -8.115 -1.976 -6.750 1.00 0.00 O ATOM 0 H SER A 5 -9.553 -3.048 -4.501 1.00 0.00 H new ATOM 0 HA SER A 5 -10.279 -3.951 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.393 -3.884 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.155 -3.589 -8.028 1.00 0.00 H new ATOM 0 HG SER A 5 -7.260 -1.657 -7.108 1.00 0.00 H new ATOM 64 N VAL A 6 -8.549 -5.430 -4.811 1.00 0.00 N ATOM 65 CA VAL A 6 -8.277 -6.721 -4.190 1.00 0.00 C ATOM 66 C VAL A 6 -9.570 -7.465 -3.879 1.00 0.00 C ATOM 67 O VAL A 6 -10.614 -6.851 -3.659 1.00 0.00 O ATOM 68 CB VAL A 6 -7.466 -6.559 -2.891 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.018 -6.212 -3.204 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.096 -5.498 -1.999 1.00 0.00 C ATOM 0 H VAL A 6 -8.076 -4.642 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.692 -7.299 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.479 -7.508 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.461 -6.102 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.574 -7.009 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.981 -5.277 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.510 -5.396 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.115 -4.544 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.114 -5.793 -1.746 1.00 0.00 H new ATOM 80 N SER A 7 -9.494 -8.792 -3.862 1.00 0.00 N ATOM 81 CA SER A 7 -10.661 -9.622 -3.582 1.00 0.00 C ATOM 82 C SER A 7 -11.213 -9.328 -2.190 1.00 0.00 C ATOM 83 O SER A 7 -10.557 -8.682 -1.372 1.00 0.00 O ATOM 84 CB SER A 7 -10.299 -11.103 -3.697 1.00 0.00 C ATOM 85 OG SER A 7 -9.153 -11.410 -2.921 1.00 0.00 O ATOM 0 H SER A 7 -8.637 -9.316 -4.039 1.00 0.00 H new ATOM 0 HA SER A 7 -11.430 -9.386 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.140 -11.713 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.113 -11.355 -4.741 1.00 0.00 H new ATOM 0 HG SER A 7 -8.943 -12.363 -3.010 1.00 0.00 H new ATOM 90 N ASP A 8 -12.424 -9.808 -1.928 1.00 0.00 N ATOM 91 CA ASP A 8 -13.066 -9.599 -0.635 1.00 0.00 C ATOM 92 C ASP A 8 -12.153 -10.045 0.503 1.00 0.00 C ATOM 93 O ASP A 8 -11.954 -9.314 1.473 1.00 0.00 O ATOM 94 CB ASP A 8 -14.391 -10.360 -0.571 1.00 0.00 C ATOM 95 CG ASP A 8 -15.587 -9.464 -0.826 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.937 -8.672 0.074 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.171 -9.553 -1.925 1.00 0.00 O ATOM 0 H ASP A 8 -12.981 -10.344 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.263 -8.533 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.380 -11.165 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.492 -10.826 0.409 1.00 0.00 H new ATOM 101 N GLU A 9 -11.603 -11.248 0.377 1.00 0.00 N ATOM 102 CA GLU A 9 -10.713 -11.790 1.397 1.00 0.00 C ATOM 103 C GLU A 9 -9.613 -10.793 1.745 1.00 0.00 C ATOM 104 O GLU A 9 -9.496 -10.357 2.890 1.00 0.00 O ATOM 105 CB GLU A 9 -10.093 -13.104 0.917 1.00 0.00 C ATOM 106 CG GLU A 9 -10.869 -14.337 1.350 1.00 0.00 C ATOM 107 CD GLU A 9 -10.430 -14.858 2.704 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.131 -14.585 3.701 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.384 -15.538 2.768 1.00 0.00 O ATOM 0 H GLU A 9 -11.758 -11.865 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.303 -11.981 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.028 -13.089 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.074 -13.175 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.932 -14.099 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.742 -15.122 0.604 1.00 0.00 H new ATOM 114 N GLU A 10 -8.807 -10.437 0.749 1.00 0.00 N ATOM 115 CA GLU A 10 -7.715 -9.493 0.950 1.00 0.00 C ATOM 116 C GLU A 10 -8.246 -8.136 1.404 1.00 0.00 C ATOM 117 O GLU A 10 -7.882 -7.640 2.470 1.00 0.00 O ATOM 118 CB GLU A 10 -6.907 -9.332 -0.339 1.00 0.00 C ATOM 119 CG GLU A 10 -5.452 -9.748 -0.201 1.00 0.00 C ATOM 120 CD GLU A 10 -5.146 -11.047 -0.922 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.440 -11.136 -2.133 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.616 -11.974 -0.275 1.00 0.00 O ATOM 0 H GLU A 10 -8.890 -10.789 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.065 -9.889 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.373 -9.925 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.950 -8.290 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.813 -8.958 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.208 -9.857 0.856 1.00 0.00 H new ATOM 127 N MET A 11 -9.108 -7.541 0.586 1.00 0.00 N ATOM 128 CA MET A 11 -9.689 -6.242 0.904 1.00 0.00 C ATOM 129 C MET A 11 -9.966 -6.120 2.399 1.00 0.00 C ATOM 130 O MET A 11 -9.678 -5.093 3.011 1.00 0.00 O ATOM 131 CB MET A 11 -10.982 -6.031 0.115 1.00 0.00 C ATOM 132 CG MET A 11 -11.355 -4.569 -0.064 1.00 0.00 C ATOM 133 SD MET A 11 -11.311 -4.047 -1.790 1.00 0.00 S ATOM 134 CE MET A 11 -10.189 -2.653 -1.694 1.00 0.00 C ATOM 0 H MET A 11 -9.419 -7.937 -0.301 1.00 0.00 H new ATOM 0 HA MET A 11 -8.970 -5.472 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.878 -6.493 -0.867 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.797 -6.545 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.355 -4.401 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.671 -3.950 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.525 -2.660 -2.559 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.761 -1.725 -1.683 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.597 -2.725 -0.782 1.00 0.00 H new ATOM 142 N MET A 12 -10.528 -7.176 2.979 1.00 0.00 N ATOM 143 CA MET A 12 -10.842 -7.187 4.403 1.00 0.00 C ATOM 144 C MET A 12 -9.568 -7.215 5.242 1.00 0.00 C ATOM 145 O MET A 12 -9.392 -6.397 6.144 1.00 0.00 O ATOM 146 CB MET A 12 -11.718 -8.395 4.744 1.00 0.00 C ATOM 147 CG MET A 12 -13.207 -8.092 4.721 1.00 0.00 C ATOM 148 SD MET A 12 -13.740 -7.119 6.142 1.00 0.00 S ATOM 149 CE MET A 12 -15.513 -7.366 6.076 1.00 0.00 C ATOM 0 H MET A 12 -10.775 -8.034 2.485 1.00 0.00 H new ATOM 0 HA MET A 12 -11.388 -6.273 4.636 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.508 -9.197 4.036 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.446 -8.763 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.450 -7.553 3.805 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.764 -9.029 4.697 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.987 -6.824 6.895 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.897 -6.995 5.126 1.00 0.00 H new ATOM 0 HE3 MET A 12 -15.736 -8.429 6.168 1.00 0.00 H new ATOM 157 N GLU A 13 -8.685 -8.160 4.936 1.00 0.00 N ATOM 158 CA GLU A 13 -7.428 -8.292 5.664 1.00 0.00 C ATOM 159 C GLU A 13 -6.543 -7.068 5.449 1.00 0.00 C ATOM 160 O GLU A 13 -6.197 -6.363 6.399 1.00 0.00 O ATOM 161 CB GLU A 13 -6.687 -9.555 5.220 1.00 0.00 C ATOM 162 CG GLU A 13 -6.934 -10.755 6.119 1.00 0.00 C ATOM 163 CD GLU A 13 -5.877 -10.903 7.197 1.00 0.00 C ATOM 164 OE1 GLU A 13 -5.931 -10.143 8.187 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.999 -11.777 7.050 1.00 0.00 O ATOM 0 H GLU A 13 -8.816 -8.844 4.191 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.659 -8.369 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.990 -9.805 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.617 -9.347 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.914 -10.658 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.958 -11.660 5.512 1.00 0.00 H new ATOM 170 N LEU A 14 -6.179 -6.821 4.196 1.00 0.00 N ATOM 171 CA LEU A 14 -5.334 -5.682 3.855 1.00 0.00 C ATOM 172 C LEU A 14 -5.819 -4.415 4.552 1.00 0.00 C ATOM 173 O LEU A 14 -5.034 -3.695 5.170 1.00 0.00 O ATOM 174 CB LEU A 14 -5.317 -5.469 2.340 1.00 0.00 C ATOM 175 CG LEU A 14 -5.159 -6.728 1.488 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.929 -6.360 0.030 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.015 -7.585 2.010 1.00 0.00 C ATOM 0 H LEU A 14 -6.456 -7.394 3.399 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.322 -5.898 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.244 -4.974 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.503 -4.786 2.098 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.080 -7.307 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.819 -7.269 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.780 -5.788 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.023 -5.760 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.917 -8.477 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.087 -7.014 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.220 -7.878 3.040 1.00 0.00 H new ATOM 188 N ARG A 15 -7.118 -4.151 4.452 1.00 0.00 N ATOM 189 CA ARG A 15 -7.708 -2.972 5.074 1.00 0.00 C ATOM 190 C ARG A 15 -7.503 -2.996 6.587 1.00 0.00 C ATOM 191 O ARG A 15 -7.176 -1.977 7.193 1.00 0.00 O ATOM 192 CB ARG A 15 -9.202 -2.893 4.752 1.00 0.00 C ATOM 193 CG ARG A 15 -9.948 -1.856 5.575 1.00 0.00 C ATOM 194 CD ARG A 15 -10.767 -0.928 4.692 1.00 0.00 C ATOM 195 NE ARG A 15 -10.475 0.479 4.955 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.900 1.127 6.034 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.632 0.500 6.943 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.593 2.408 6.202 1.00 0.00 N ATOM 0 H ARG A 15 -7.782 -4.738 3.946 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.209 -2.091 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.325 -2.662 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.653 -3.871 4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.605 -2.358 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.236 -1.271 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.563 -1.151 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.828 -1.115 4.856 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.915 0.991 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.871 -0.483 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.957 1.001 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.031 2.894 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.919 2.906 7.030 1.00 0.00 H new ATOM 209 N GLU A 16 -7.700 -4.165 7.187 1.00 0.00 N ATOM 210 CA GLU A 16 -7.539 -4.319 8.628 1.00 0.00 C ATOM 211 C GLU A 16 -6.156 -3.854 9.073 1.00 0.00 C ATOM 212 O GLU A 16 -6.030 -3.024 9.974 1.00 0.00 O ATOM 213 CB GLU A 16 -7.752 -5.780 9.033 1.00 0.00 C ATOM 214 CG GLU A 16 -6.768 -6.270 10.082 1.00 0.00 C ATOM 215 CD GLU A 16 -7.205 -7.570 10.729 1.00 0.00 C ATOM 216 OE1 GLU A 16 -6.564 -8.609 10.465 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.186 -7.549 11.501 1.00 0.00 O ATOM 0 H GLU A 16 -7.971 -5.018 6.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.288 -3.699 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.766 -5.898 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.669 -6.410 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.790 -6.409 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.652 -5.506 10.851 1.00 0.00 H new ATOM 222 N ALA A 17 -5.123 -4.394 8.437 1.00 0.00 N ATOM 223 CA ALA A 17 -3.749 -4.033 8.766 1.00 0.00 C ATOM 224 C ALA A 17 -3.486 -2.558 8.481 1.00 0.00 C ATOM 225 O ALA A 17 -3.083 -1.807 9.370 1.00 0.00 O ATOM 226 CB ALA A 17 -2.774 -4.905 7.988 1.00 0.00 C ATOM 0 H ALA A 17 -5.211 -5.083 7.690 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.600 -4.202 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.752 -4.625 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.938 -5.952 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.933 -4.764 6.919 1.00 0.00 H new ATOM 232 N PHE A 18 -3.715 -2.150 7.238 1.00 0.00 N ATOM 233 CA PHE A 18 -3.501 -0.764 6.837 1.00 0.00 C ATOM 234 C PHE A 18 -3.995 0.196 7.913 1.00 0.00 C ATOM 235 O PHE A 18 -3.246 1.048 8.392 1.00 0.00 O ATOM 236 CB PHE A 18 -4.216 -0.478 5.514 1.00 0.00 C ATOM 237 CG PHE A 18 -4.095 0.949 5.064 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.159 1.311 4.109 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.916 1.931 5.597 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.045 2.624 3.692 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.807 3.244 5.184 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.869 3.592 4.231 1.00 0.00 C ATOM 0 H PHE A 18 -4.049 -2.759 6.491 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.430 -0.611 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.808 -1.130 4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.271 -0.729 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.511 0.558 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.649 1.666 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.312 2.892 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.455 3.999 5.606 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.781 4.619 3.908 1.00 0.00 H new ATOM 251 N ALA A 19 -5.261 0.053 8.290 1.00 0.00 N ATOM 252 CA ALA A 19 -5.856 0.907 9.311 1.00 0.00 C ATOM 253 C ALA A 19 -4.986 0.952 10.563 1.00 0.00 C ATOM 254 O ALA A 19 -4.725 2.022 11.112 1.00 0.00 O ATOM 255 CB ALA A 19 -7.255 0.421 9.656 1.00 0.00 C ATOM 0 H ALA A 19 -5.895 -0.646 7.904 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.924 1.918 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.687 1.068 10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.880 0.446 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.203 -0.600 10.033 1.00 0.00 H new ATOM 261 N LYS A 20 -4.542 -0.217 11.012 1.00 0.00 N ATOM 262 CA LYS A 20 -3.701 -0.313 12.199 1.00 0.00 C ATOM 263 C LYS A 20 -2.460 0.564 12.058 1.00 0.00 C ATOM 264 O LYS A 20 -1.909 1.041 13.051 1.00 0.00 O ATOM 265 CB LYS A 20 -3.287 -1.766 12.441 1.00 0.00 C ATOM 266 CG LYS A 20 -4.445 -2.747 12.375 1.00 0.00 C ATOM 267 CD LYS A 20 -4.481 -3.649 13.597 1.00 0.00 C ATOM 268 CE LYS A 20 -3.141 -4.331 13.826 1.00 0.00 C ATOM 269 NZ LYS A 20 -3.207 -5.327 14.931 1.00 0.00 N ATOM 0 H LYS A 20 -4.751 -1.113 10.571 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.279 0.040 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.539 -2.050 11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.813 -1.842 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.384 -2.199 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.357 -3.355 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.747 -3.062 14.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.258 -4.403 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.825 -4.827 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.386 -3.580 14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.274 -5.770 15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.484 -4.850 15.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.909 -6.058 14.698 1.00 0.00 H new ATOM 279 N VAL A 21 -2.025 0.773 10.820 1.00 0.00 N ATOM 280 CA VAL A 21 -0.851 1.594 10.550 1.00 0.00 C ATOM 281 C VAL A 21 -1.247 2.936 9.946 1.00 0.00 C ATOM 282 O VAL A 21 -0.390 3.732 9.562 1.00 0.00 O ATOM 283 CB VAL A 21 0.124 0.881 9.595 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.438 0.581 10.300 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.501 -0.394 9.049 1.00 0.00 C ATOM 0 H VAL A 21 -2.468 0.385 9.987 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.354 1.761 11.506 1.00 0.00 H new ATOM 0 HB VAL A 21 0.333 1.544 8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.114 0.077 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.891 1.513 10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.251 -0.063 11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.202 -0.885 8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.741 -1.064 9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.413 -0.148 8.505 1.00 0.00 H new ATOM 295 N ASP A 22 -2.549 3.182 9.866 1.00 0.00 N ATOM 296 CA ASP A 22 -3.060 4.430 9.310 1.00 0.00 C ATOM 297 C ASP A 22 -3.682 5.296 10.400 1.00 0.00 C ATOM 298 O ASP A 22 -4.770 5.847 10.227 1.00 0.00 O ATOM 299 CB ASP A 22 -4.093 4.142 8.219 1.00 0.00 C ATOM 300 CG ASP A 22 -4.515 5.396 7.477 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.629 6.196 7.111 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.731 5.574 7.260 1.00 0.00 O ATOM 0 H ASP A 22 -3.271 2.533 10.179 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.223 4.974 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.678 3.426 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.970 3.676 8.667 1.00 0.00 H new ATOM 306 N THR A 23 -2.984 5.414 11.527 1.00 0.00 N ATOM 307 CA THR A 23 -3.467 6.211 12.646 1.00 0.00 C ATOM 308 C THR A 23 -3.133 7.686 12.456 1.00 0.00 C ATOM 309 O THR A 23 -3.346 8.502 13.353 1.00 0.00 O ATOM 310 CB THR A 23 -2.868 5.729 13.979 1.00 0.00 C ATOM 311 OG1 THR A 23 -3.387 6.510 15.062 1.00 0.00 O ATOM 312 CG2 THR A 23 -1.349 5.831 13.959 1.00 0.00 C ATOM 0 H THR A 23 -2.082 4.966 11.687 1.00 0.00 H new ATOM 0 HA THR A 23 -4.550 6.088 12.677 1.00 0.00 H new ATOM 0 HB THR A 23 -3.146 4.684 14.118 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.310 7.463 14.845 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.949 5.485 14.912 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.953 5.213 13.153 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.056 6.868 13.798 1.00 0.00 H new ATOM 320 N ASP A 24 -2.611 8.023 11.282 1.00 0.00 N ATOM 321 CA ASP A 24 -2.248 9.402 10.972 1.00 0.00 C ATOM 322 C ASP A 24 -3.467 10.315 11.056 1.00 0.00 C ATOM 323 O ASP A 24 -3.336 11.527 11.218 1.00 0.00 O ATOM 324 CB ASP A 24 -1.626 9.487 9.578 1.00 0.00 C ATOM 325 CG ASP A 24 -0.556 8.436 9.357 1.00 0.00 C ATOM 326 OD1 ASP A 24 -0.916 7.256 9.156 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.641 8.792 9.381 1.00 0.00 O ATOM 0 H ASP A 24 -2.429 7.360 10.528 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.516 9.734 11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.407 9.370 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.193 10.477 9.436 1.00 0.00 H new ATOM 331 N GLY A 25 -4.653 9.724 10.941 1.00 0.00 N ATOM 332 CA GLY A 25 -5.877 10.499 11.005 1.00 0.00 C ATOM 333 C GLY A 25 -6.164 11.238 9.713 1.00 0.00 C ATOM 334 O GLY A 25 -7.026 12.114 9.669 1.00 0.00 O ATOM 0 H GLY A 25 -4.787 8.722 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.711 9.836 11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.807 11.217 11.822 1.00 0.00 H new ATOM 338 N ASN A 26 -5.437 10.885 8.657 1.00 0.00 N ATOM 339 CA ASN A 26 -5.615 11.523 7.358 1.00 0.00 C ATOM 340 C ASN A 26 -6.168 10.532 6.337 1.00 0.00 C ATOM 341 O ASN A 26 -6.720 10.925 5.311 1.00 0.00 O ATOM 342 CB ASN A 26 -4.287 12.096 6.861 1.00 0.00 C ATOM 343 CG ASN A 26 -3.128 11.140 7.074 1.00 0.00 C ATOM 344 OD1 ASN A 26 -3.251 9.938 6.840 1.00 0.00 O ATOM 345 ND2 ASN A 26 -1.997 11.672 7.519 1.00 0.00 N ATOM 0 H ASN A 26 -4.719 10.161 8.676 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.332 12.336 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.370 12.331 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.082 13.033 7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.183 11.079 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.941 12.674 7.699 1.00 0.00 H new ATOM 351 N GLY A 27 -6.015 9.244 6.628 1.00 0.00 N ATOM 352 CA GLY A 27 -6.503 8.216 5.727 1.00 0.00 C ATOM 353 C GLY A 27 -5.380 7.456 5.050 1.00 0.00 C ATOM 354 O GLY A 27 -5.511 6.266 4.763 1.00 0.00 O ATOM 0 H GLY A 27 -5.562 8.894 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.127 7.516 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.137 8.674 4.968 1.00 0.00 H new ATOM 358 N TYR A 28 -4.274 8.144 4.793 1.00 0.00 N ATOM 359 CA TYR A 28 -3.124 7.527 4.142 1.00 0.00 C ATOM 360 C TYR A 28 -1.980 7.325 5.132 1.00 0.00 C ATOM 361 O TYR A 28 -1.778 8.135 6.038 1.00 0.00 O ATOM 362 CB TYR A 28 -2.651 8.389 2.971 1.00 0.00 C ATOM 363 CG TYR A 28 -2.777 9.875 3.222 1.00 0.00 C ATOM 364 CD1 TYR A 28 -1.923 10.525 4.104 1.00 0.00 C ATOM 365 CD2 TYR A 28 -3.752 10.628 2.579 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.035 11.882 4.337 1.00 0.00 C ATOM 367 CE2 TYR A 28 -3.871 11.985 2.806 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.010 12.608 3.686 1.00 0.00 C ATOM 369 OH TYR A 28 -3.126 13.960 3.915 1.00 0.00 O ATOM 0 H TYR A 28 -4.149 9.129 5.025 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.433 6.551 3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.609 8.153 2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.228 8.129 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.158 9.960 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.428 10.144 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.362 12.372 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.634 12.556 2.297 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.861 14.321 3.377 1.00 0.00 H new ATOM 378 N ILE A 29 -1.237 6.238 4.953 1.00 0.00 N ATOM 379 CA ILE A 29 -0.113 5.930 5.829 1.00 0.00 C ATOM 380 C ILE A 29 1.197 6.451 5.247 1.00 0.00 C ATOM 381 O ILE A 29 1.222 7.010 4.151 1.00 0.00 O ATOM 382 CB ILE A 29 0.012 4.414 6.070 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.405 3.700 4.775 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.294 3.854 6.614 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.374 2.191 4.883 1.00 0.00 C ATOM 0 H ILE A 29 -1.393 5.557 4.210 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.308 6.427 6.780 1.00 0.00 H new ATOM 0 HB ILE A 29 0.794 4.242 6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.270 4.013 3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.408 4.015 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.189 2.782 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.535 4.344 7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.094 4.034 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.664 1.752 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.070 1.867 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.634 1.865 5.141 1.00 0.00 H new ATOM 396 N SER A 30 2.283 6.261 5.988 1.00 0.00 N ATOM 397 CA SER A 30 3.598 6.713 5.547 1.00 0.00 C ATOM 398 C SER A 30 4.395 5.560 4.943 1.00 0.00 C ATOM 399 O SER A 30 4.048 4.391 5.117 1.00 0.00 O ATOM 400 CB SER A 30 4.371 7.323 6.718 1.00 0.00 C ATOM 401 OG SER A 30 5.726 7.549 6.372 1.00 0.00 O ATOM 0 H SER A 30 2.279 5.797 6.896 1.00 0.00 H new ATOM 0 HA SER A 30 3.454 7.474 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.906 8.263 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.319 6.657 7.579 1.00 0.00 H new ATOM 0 HG SER A 30 6.198 7.941 7.136 1.00 0.00 H new ATOM 406 N PHE A 31 5.465 5.898 4.231 1.00 0.00 N ATOM 407 CA PHE A 31 6.311 4.893 3.599 1.00 0.00 C ATOM 408 C PHE A 31 6.623 3.757 4.570 1.00 0.00 C ATOM 409 O PHE A 31 6.317 2.596 4.302 1.00 0.00 O ATOM 410 CB PHE A 31 7.613 5.529 3.105 1.00 0.00 C ATOM 411 CG PHE A 31 7.624 5.801 1.628 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.835 6.804 1.089 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.423 5.052 0.779 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.843 7.056 -0.270 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.437 5.301 -0.580 1.00 0.00 C ATOM 416 CZ PHE A 31 7.644 6.304 -1.106 1.00 0.00 C ATOM 0 H PHE A 31 5.767 6.860 4.077 1.00 0.00 H new ATOM 0 HA PHE A 31 5.770 4.482 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.777 6.464 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.446 4.871 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.207 7.396 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.042 4.265 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.223 7.841 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.067 4.713 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.651 6.499 -2.168 1.00 0.00 H new ATOM 425 N ASN A 32 7.237 4.102 5.697 1.00 0.00 N ATOM 426 CA ASN A 32 7.591 3.112 6.707 1.00 0.00 C ATOM 427 C ASN A 32 6.382 2.262 7.085 1.00 0.00 C ATOM 428 O ASN A 32 6.470 1.037 7.158 1.00 0.00 O ATOM 429 CB ASN A 32 8.153 3.801 7.952 1.00 0.00 C ATOM 430 CG ASN A 32 9.606 4.202 7.785 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.962 5.369 7.946 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.453 3.233 7.460 1.00 0.00 N ATOM 0 H ASN A 32 7.499 5.059 5.934 1.00 0.00 H new ATOM 0 HA ASN A 32 8.354 2.458 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.558 4.687 8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.060 3.132 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.443 3.442 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.114 2.279 7.337 1.00 0.00 H new ATOM 438 N GLU A 33 5.253 2.921 7.323 1.00 0.00 N ATOM 439 CA GLU A 33 4.025 2.226 7.694 1.00 0.00 C ATOM 440 C GLU A 33 3.603 1.249 6.600 1.00 0.00 C ATOM 441 O GLU A 33 3.164 0.134 6.885 1.00 0.00 O ATOM 442 CB GLU A 33 2.903 3.232 7.956 1.00 0.00 C ATOM 443 CG GLU A 33 3.237 4.251 9.031 1.00 0.00 C ATOM 444 CD GLU A 33 4.325 3.771 9.972 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.022 2.937 10.851 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.477 4.228 9.830 1.00 0.00 O ATOM 0 H GLU A 33 5.163 3.935 7.266 1.00 0.00 H new ATOM 0 HA GLU A 33 4.217 1.662 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.674 3.757 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.003 2.691 8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.554 5.181 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.338 4.476 9.605 1.00 0.00 H new ATOM 451 N LEU A 34 3.739 1.675 5.349 1.00 0.00 N ATOM 452 CA LEU A 34 3.371 0.839 4.212 1.00 0.00 C ATOM 453 C LEU A 34 4.125 -0.488 4.246 1.00 0.00 C ATOM 454 O LEU A 34 3.519 -1.553 4.354 1.00 0.00 O ATOM 455 CB LEU A 34 3.662 1.570 2.900 1.00 0.00 C ATOM 456 CG LEU A 34 3.766 0.693 1.652 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.398 0.155 1.262 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.381 1.476 0.500 1.00 0.00 C ATOM 0 H LEU A 34 4.101 2.594 5.096 1.00 0.00 H new ATOM 0 HA LEU A 34 2.303 0.632 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.877 2.308 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.597 2.119 3.013 1.00 0.00 H new ATOM 0 HG LEU A 34 4.415 -0.153 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.492 -0.467 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.995 -0.441 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.726 0.987 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.447 0.836 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.757 2.341 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.379 1.812 0.780 1.00 0.00 H new ATOM 469 N ASN A 35 5.448 -0.413 4.155 1.00 0.00 N ATOM 470 CA ASN A 35 6.284 -1.608 4.176 1.00 0.00 C ATOM 471 C ASN A 35 5.896 -2.523 5.334 1.00 0.00 C ATOM 472 O ASN A 35 5.710 -3.726 5.151 1.00 0.00 O ATOM 473 CB ASN A 35 7.761 -1.221 4.291 1.00 0.00 C ATOM 474 CG ASN A 35 8.672 -2.431 4.359 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.669 -3.275 3.463 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.456 -2.521 5.427 1.00 0.00 N ATOM 0 H ASN A 35 5.965 0.462 4.066 1.00 0.00 H new ATOM 0 HA ASN A 35 6.128 -2.147 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.041 -0.607 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.905 -0.610 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.090 -3.314 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.425 -1.797 6.145 1.00 0.00 H new ATOM 482 N ASP A 36 5.774 -1.944 6.523 1.00 0.00 N ATOM 483 CA ASP A 36 5.405 -2.707 7.710 1.00 0.00 C ATOM 484 C ASP A 36 4.034 -3.351 7.537 1.00 0.00 C ATOM 485 O ASP A 36 3.782 -4.445 8.045 1.00 0.00 O ATOM 486 CB ASP A 36 5.406 -1.802 8.944 1.00 0.00 C ATOM 487 CG ASP A 36 6.786 -1.266 9.268 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.924 -0.557 10.288 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.729 -1.554 8.502 1.00 0.00 O ATOM 0 H ASP A 36 5.925 -0.949 6.691 1.00 0.00 H new ATOM 0 HA ASP A 36 6.143 -3.498 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.725 -0.967 8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.026 -2.359 9.800 1.00 0.00 H new ATOM 493 N LEU A 37 3.150 -2.667 6.820 1.00 0.00 N ATOM 494 CA LEU A 37 1.802 -3.173 6.582 1.00 0.00 C ATOM 495 C LEU A 37 1.827 -4.356 5.618 1.00 0.00 C ATOM 496 O LEU A 37 1.025 -5.283 5.737 1.00 0.00 O ATOM 497 CB LEU A 37 0.911 -2.063 6.022 1.00 0.00 C ATOM 498 CG LEU A 37 -0.178 -2.505 5.043 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.133 -3.480 5.713 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.934 -1.298 4.505 1.00 0.00 C ATOM 0 H LEU A 37 3.342 -1.761 6.393 1.00 0.00 H new ATOM 0 HA LEU A 37 1.394 -3.512 7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.434 -1.551 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.546 -1.332 5.522 1.00 0.00 H new ATOM 0 HG LEU A 37 0.298 -3.013 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.901 -3.784 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.581 -4.358 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.603 -2.998 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.705 -1.632 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.399 -0.761 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.240 -0.636 3.987 1.00 0.00 H new ATOM 511 N PHE A 38 2.753 -4.316 4.666 1.00 0.00 N ATOM 512 CA PHE A 38 2.883 -5.386 3.683 1.00 0.00 C ATOM 513 C PHE A 38 3.348 -6.679 4.344 1.00 0.00 C ATOM 514 O PHE A 38 2.904 -7.769 3.984 1.00 0.00 O ATOM 515 CB PHE A 38 3.867 -4.978 2.584 1.00 0.00 C ATOM 516 CG PHE A 38 3.210 -4.708 1.261 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.684 -3.458 0.976 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.116 -5.704 0.302 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.079 -3.206 -0.240 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.513 -5.458 -0.917 1.00 0.00 C ATOM 521 CZ PHE A 38 1.992 -4.207 -1.187 1.00 0.00 C ATOM 0 H PHE A 38 3.424 -3.556 4.554 1.00 0.00 H new ATOM 0 HA PHE A 38 1.903 -5.560 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.405 -4.085 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.607 -5.768 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.748 -2.671 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.519 -6.684 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.674 -2.227 -0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.449 -6.242 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.517 -4.012 -2.137 1.00 0.00 H new ATOM 530 N LYS A 39 4.247 -6.550 5.315 1.00 0.00 N ATOM 531 CA LYS A 39 4.774 -7.707 6.029 1.00 0.00 C ATOM 532 C LYS A 39 3.861 -8.095 7.187 1.00 0.00 C ATOM 533 O LYS A 39 3.745 -9.269 7.533 1.00 0.00 O ATOM 534 CB LYS A 39 6.182 -7.412 6.552 1.00 0.00 C ATOM 535 CG LYS A 39 7.082 -6.743 5.530 1.00 0.00 C ATOM 536 CD LYS A 39 8.468 -6.478 6.095 1.00 0.00 C ATOM 537 CE LYS A 39 8.411 -5.542 7.292 1.00 0.00 C ATOM 538 NZ LYS A 39 9.759 -5.025 7.657 1.00 0.00 N ATOM 0 H LYS A 39 4.626 -5.655 5.625 1.00 0.00 H new ATOM 0 HA LYS A 39 4.820 -8.543 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.107 -6.773 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.644 -8.345 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.163 -7.376 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.633 -5.803 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.928 -7.421 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.101 -6.043 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.750 -4.705 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.981 -6.068 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.658 -4.134 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.250 -5.724 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.312 -4.856 6.792 1.00 0.00 H new ATOM 548 N ALA A 40 3.211 -7.098 7.782 1.00 0.00 N ATOM 549 CA ALA A 40 2.306 -7.335 8.898 1.00 0.00 C ATOM 550 C ALA A 40 1.018 -8.003 8.429 1.00 0.00 C ATOM 551 O ALA A 40 0.369 -8.723 9.186 1.00 0.00 O ATOM 552 CB ALA A 40 1.993 -6.028 9.611 1.00 0.00 C ATOM 0 H ALA A 40 3.296 -6.119 7.508 1.00 0.00 H new ATOM 0 HA ALA A 40 2.801 -8.009 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.315 -6.221 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.917 -5.590 9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.522 -5.336 8.912 1.00 0.00 H new ATOM 558 N ALA A 41 0.654 -7.759 7.173 1.00 0.00 N ATOM 559 CA ALA A 41 -0.556 -8.338 6.602 1.00 0.00 C ATOM 560 C ALA A 41 -0.269 -9.697 5.973 1.00 0.00 C ATOM 561 O ALA A 41 -1.099 -10.241 5.243 1.00 0.00 O ATOM 562 CB ALA A 41 -1.158 -7.393 5.573 1.00 0.00 C ATOM 0 H ALA A 41 1.180 -7.165 6.532 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.275 -8.485 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.061 -7.838 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.408 -6.446 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.437 -7.217 4.775 1.00 0.00 H new ATOM 568 N CYS A 42 0.909 -10.240 6.259 1.00 0.00 N ATOM 569 CA CYS A 42 1.305 -11.536 5.719 1.00 0.00 C ATOM 570 C CYS A 42 1.098 -11.581 4.209 1.00 0.00 C ATOM 571 O CYS A 42 0.508 -12.525 3.681 1.00 0.00 O ATOM 572 CB CYS A 42 0.509 -12.656 6.390 1.00 0.00 C ATOM 573 SG CYS A 42 0.845 -12.844 8.157 1.00 0.00 S ATOM 0 H CYS A 42 1.607 -9.803 6.862 1.00 0.00 H new ATOM 0 HA CYS A 42 2.365 -11.681 5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.555 -12.464 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.731 -13.597 5.887 1.00 0.00 H new ATOM 0 HG CYS A 42 0.123 -13.814 8.635 1.00 0.00 H new ATOM 578 N LEU A 43 1.585 -10.557 3.518 1.00 0.00 N ATOM 579 CA LEU A 43 1.452 -10.479 2.067 1.00 0.00 C ATOM 580 C LEU A 43 2.506 -11.338 1.378 1.00 0.00 C ATOM 581 O LEU A 43 3.559 -11.643 1.938 1.00 0.00 O ATOM 582 CB LEU A 43 1.575 -9.027 1.602 1.00 0.00 C ATOM 583 CG LEU A 43 0.524 -8.057 2.141 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.360 -6.872 1.202 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.806 -8.769 2.341 1.00 0.00 C ATOM 0 H LEU A 43 2.076 -9.768 3.939 1.00 0.00 H new ATOM 0 HA LEU A 43 0.467 -10.858 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.560 -8.658 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.531 -9.011 0.513 1.00 0.00 H new ATOM 0 HG LEU A 43 0.863 -7.684 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.392 -6.192 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.311 -6.347 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.044 -7.226 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.542 -8.063 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.151 -9.170 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.679 -9.584 3.053 1.00 0.00 H new ATOM 596 N PRO A 44 2.219 -11.738 0.130 1.00 0.00 N ATOM 597 CA PRO A 44 3.130 -12.566 -0.666 1.00 0.00 C ATOM 598 C PRO A 44 4.381 -11.805 -1.092 1.00 0.00 C ATOM 599 O PRO A 44 5.501 -12.293 -0.935 1.00 0.00 O ATOM 600 CB PRO A 44 2.292 -12.943 -1.889 1.00 0.00 C ATOM 601 CG PRO A 44 1.282 -11.854 -2.007 1.00 0.00 C ATOM 602 CD PRO A 44 0.983 -11.413 -0.601 1.00 0.00 C ATOM 0 HA PRO A 44 3.496 -13.425 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.908 -13.010 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.814 -13.914 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.668 -11.026 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.380 -12.210 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.757 -10.348 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.122 -11.940 -0.189 1.00 0.00 H new ATOM 607 N LEU A 45 4.185 -10.607 -1.631 1.00 0.00 N ATOM 608 CA LEU A 45 5.297 -9.777 -2.080 1.00 0.00 C ATOM 609 C LEU A 45 6.379 -9.691 -1.009 1.00 0.00 C ATOM 610 O LEU A 45 6.098 -9.583 0.185 1.00 0.00 O ATOM 611 CB LEU A 45 4.802 -8.375 -2.436 1.00 0.00 C ATOM 612 CG LEU A 45 3.689 -8.300 -3.481 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.812 -7.026 -4.303 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.723 -9.525 -4.384 1.00 0.00 C ATOM 0 H LEU A 45 3.265 -10.188 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 45 5.727 -10.239 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.449 -7.894 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.650 -7.793 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 45 2.731 -8.281 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.011 -6.991 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.738 -6.160 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.776 -7.013 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.924 -9.455 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.685 -9.574 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.584 -10.424 -3.783 1.00 0.00 H new ATOM 625 N PRO A 46 7.647 -9.737 -1.443 1.00 0.00 N ATOM 626 CA PRO A 46 8.798 -9.664 -0.536 1.00 0.00 C ATOM 627 C PRO A 46 8.957 -8.280 0.084 1.00 0.00 C ATOM 628 O PRO A 46 8.078 -7.429 -0.035 1.00 0.00 O ATOM 629 CB PRO A 46 9.987 -9.982 -1.446 1.00 0.00 C ATOM 630 CG PRO A 46 9.535 -9.593 -2.812 1.00 0.00 C ATOM 631 CD PRO A 46 8.056 -9.866 -2.852 1.00 0.00 C ATOM 0 HA PRO A 46 8.697 -10.345 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.874 -9.422 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.248 -11.039 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.743 -8.541 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.059 -10.169 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.533 -9.153 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.841 -10.860 -3.243 1.00 0.00 H new ATOM 636 N GLY A 47 10.088 -8.062 0.749 1.00 0.00 N ATOM 637 CA GLY A 47 10.343 -6.780 1.379 1.00 0.00 C ATOM 638 C GLY A 47 10.870 -5.748 0.401 1.00 0.00 C ATOM 639 O GLY A 47 10.489 -4.578 0.457 1.00 0.00 O ATOM 0 H GLY A 47 10.832 -8.751 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.422 -6.411 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.063 -6.912 2.186 1.00 0.00 H new ATOM 643 N TYR A 48 11.748 -6.181 -0.497 1.00 0.00 N ATOM 644 CA TYR A 48 12.331 -5.284 -1.489 1.00 0.00 C ATOM 645 C TYR A 48 11.280 -4.834 -2.500 1.00 0.00 C ATOM 646 O TYR A 48 11.264 -3.677 -2.921 1.00 0.00 O ATOM 647 CB TYR A 48 13.488 -5.975 -2.212 1.00 0.00 C ATOM 648 CG TYR A 48 13.064 -7.180 -3.021 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.680 -7.050 -4.349 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.047 -8.450 -2.455 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.291 -8.149 -5.092 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.661 -9.554 -3.190 1.00 0.00 C ATOM 653 CZ TYR A 48 12.284 -9.398 -4.508 1.00 0.00 C ATOM 654 OH TYR A 48 11.897 -10.496 -5.243 1.00 0.00 O ATOM 0 H TYR A 48 12.072 -7.146 -0.559 1.00 0.00 H new ATOM 0 HA TYR A 48 12.709 -4.404 -0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.973 -5.257 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.231 -6.285 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.685 -6.073 -4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.341 -8.575 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.994 -8.030 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.654 -10.534 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 48 11.950 -11.299 -4.684 1.00 0.00 H new ATOM 663 N ARG A 49 10.404 -5.757 -2.885 1.00 0.00 N ATOM 664 CA ARG A 49 9.351 -5.456 -3.846 1.00 0.00 C ATOM 665 C ARG A 49 8.540 -4.242 -3.403 1.00 0.00 C ATOM 666 O ARG A 49 8.322 -3.311 -4.177 1.00 0.00 O ATOM 667 CB ARG A 49 8.428 -6.664 -4.019 1.00 0.00 C ATOM 668 CG ARG A 49 8.806 -7.558 -5.188 1.00 0.00 C ATOM 669 CD ARG A 49 7.875 -7.349 -6.372 1.00 0.00 C ATOM 670 NE ARG A 49 7.343 -8.611 -6.879 1.00 0.00 N ATOM 671 CZ ARG A 49 8.030 -9.437 -7.661 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.270 -9.136 -8.021 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.476 -10.567 -8.081 1.00 0.00 N ATOM 0 H ARG A 49 10.403 -6.719 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 49 9.822 -5.227 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.441 -7.254 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.406 -6.312 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.833 -7.350 -5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.771 -8.602 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.050 -6.701 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.412 -6.836 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 49 6.392 -8.873 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.699 -8.269 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.795 -9.772 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.523 -10.802 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.003 -11.201 -8.681 1.00 0.00 H new ATOM 684 N VAL A 50 8.095 -4.261 -2.150 1.00 0.00 N ATOM 685 CA VAL A 50 7.308 -3.162 -1.603 1.00 0.00 C ATOM 686 C VAL A 50 8.133 -1.882 -1.522 1.00 0.00 C ATOM 687 O VAL A 50 7.795 -0.873 -2.142 1.00 0.00 O ATOM 688 CB VAL A 50 6.769 -3.502 -0.200 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.817 -2.418 0.284 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.083 -4.859 -0.207 1.00 0.00 C ATOM 0 H VAL A 50 8.266 -5.024 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 50 6.468 -3.007 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 50 7.611 -3.549 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.447 -2.676 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.344 -1.465 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.978 -2.336 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.709 -5.083 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.251 -4.842 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.797 -5.626 -0.507 1.00 0.00 H new ATOM 700 N ARG A 51 9.216 -1.931 -0.754 1.00 0.00 N ATOM 701 CA ARG A 51 10.090 -0.775 -0.592 1.00 0.00 C ATOM 702 C ARG A 51 10.469 -0.185 -1.947 1.00 0.00 C ATOM 703 O ARG A 51 10.578 1.031 -2.096 1.00 0.00 O ATOM 704 CB ARG A 51 11.354 -1.168 0.176 1.00 0.00 C ATOM 705 CG ARG A 51 12.089 0.016 0.785 1.00 0.00 C ATOM 706 CD ARG A 51 13.473 0.183 0.178 1.00 0.00 C ATOM 707 NE ARG A 51 14.502 0.353 1.199 1.00 0.00 N ATOM 708 CZ ARG A 51 15.770 0.638 0.925 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.163 0.784 -0.333 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.648 0.777 1.910 1.00 0.00 N ATOM 0 H ARG A 51 9.509 -2.758 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 51 9.548 -0.019 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.085 -1.865 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.029 -1.697 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.509 0.926 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.177 -0.124 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.709 -0.689 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.475 1.047 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 51 14.232 0.247 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.491 0.677 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.137 1.003 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.349 0.665 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.622 0.996 1.698 1.00 0.00 H new ATOM 721 N GLU A 52 10.669 -1.057 -2.931 1.00 0.00 N ATOM 722 CA GLU A 52 11.037 -0.621 -4.273 1.00 0.00 C ATOM 723 C GLU A 52 9.851 0.029 -4.979 1.00 0.00 C ATOM 724 O GLU A 52 9.941 1.163 -5.450 1.00 0.00 O ATOM 725 CB GLU A 52 11.548 -1.806 -5.095 1.00 0.00 C ATOM 726 CG GLU A 52 11.766 -1.478 -6.563 1.00 0.00 C ATOM 727 CD GLU A 52 12.593 -2.529 -7.279 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.384 -2.721 -8.494 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.448 -3.160 -6.623 1.00 0.00 O ATOM 0 H GLU A 52 10.582 -2.068 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 52 11.832 0.119 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.487 -2.157 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.835 -2.627 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.799 -1.383 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.263 -0.511 -6.646 1.00 0.00 H new ATOM 734 N ILE A 53 8.740 -0.697 -5.046 1.00 0.00 N ATOM 735 CA ILE A 53 7.536 -0.191 -5.693 1.00 0.00 C ATOM 736 C ILE A 53 7.201 1.215 -5.209 1.00 0.00 C ATOM 737 O ILE A 53 6.777 2.069 -5.988 1.00 0.00 O ATOM 738 CB ILE A 53 6.329 -1.113 -5.435 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.501 -2.436 -6.183 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.038 -0.425 -5.854 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.791 -3.598 -5.526 1.00 0.00 C ATOM 0 H ILE A 53 8.649 -1.637 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 53 7.740 -0.164 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 53 6.275 -1.326 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.127 -2.320 -7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.564 -2.666 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.194 -1.089 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.912 0.493 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.081 -0.186 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.956 -4.503 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.182 -3.740 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.722 -3.389 -5.475 1.00 0.00 H new ATOM 752 N THR A 54 7.394 1.452 -3.914 1.00 0.00 N ATOM 753 CA THR A 54 7.114 2.754 -3.324 1.00 0.00 C ATOM 754 C THR A 54 8.157 3.783 -3.742 1.00 0.00 C ATOM 755 O THR A 54 7.829 4.803 -4.347 1.00 0.00 O ATOM 756 CB THR A 54 7.072 2.677 -1.787 1.00 0.00 C ATOM 757 OG1 THR A 54 6.852 1.325 -1.369 1.00 0.00 O ATOM 758 CG2 THR A 54 5.973 3.570 -1.230 1.00 0.00 C ATOM 0 H THR A 54 7.744 0.757 -3.254 1.00 0.00 H new ATOM 0 HA THR A 54 6.136 3.063 -3.691 1.00 0.00 H new ATOM 0 HB THR A 54 8.031 3.024 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.637 0.782 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.963 3.499 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.159 4.603 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.009 3.249 -1.624 1.00 0.00 H new ATOM 766 N GLU A 55 9.417 3.508 -3.417 1.00 0.00 N ATOM 767 CA GLU A 55 10.508 4.412 -3.760 1.00 0.00 C ATOM 768 C GLU A 55 10.477 4.766 -5.243 1.00 0.00 C ATOM 769 O GLU A 55 10.833 5.876 -5.636 1.00 0.00 O ATOM 770 CB GLU A 55 11.856 3.779 -3.403 1.00 0.00 C ATOM 771 CG GLU A 55 12.622 4.540 -2.334 1.00 0.00 C ATOM 772 CD GLU A 55 13.663 5.474 -2.916 1.00 0.00 C ATOM 773 OE1 GLU A 55 13.274 6.442 -3.603 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.867 5.240 -2.684 1.00 0.00 O ATOM 0 H GLU A 55 9.707 2.667 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 55 10.380 5.328 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.689 2.758 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.469 3.717 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.920 5.115 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.109 3.829 -1.666 1.00 0.00 H new ATOM 779 N ASN A 56 10.048 3.812 -6.064 1.00 0.00 N ATOM 780 CA ASN A 56 9.971 4.021 -7.506 1.00 0.00 C ATOM 781 C ASN A 56 8.628 4.630 -7.896 1.00 0.00 C ATOM 782 O ASN A 56 8.498 5.248 -8.953 1.00 0.00 O ATOM 783 CB ASN A 56 10.178 2.698 -8.246 1.00 0.00 C ATOM 784 CG ASN A 56 11.630 2.463 -8.614 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.507 2.446 -7.750 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.891 2.280 -9.904 1.00 0.00 N ATOM 0 H ASN A 56 9.749 2.887 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 56 10.761 4.716 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.827 1.877 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.571 2.692 -9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.850 2.117 -10.212 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.133 2.302 -10.586 1.00 0.00 H new ATOM 792 N LEU A 57 7.631 4.452 -7.035 1.00 0.00 N ATOM 793 CA LEU A 57 6.297 4.983 -7.288 1.00 0.00 C ATOM 794 C LEU A 57 6.322 6.507 -7.357 1.00 0.00 C ATOM 795 O LEU A 57 6.004 7.097 -8.389 1.00 0.00 O ATOM 796 CB LEU A 57 5.328 4.527 -6.196 1.00 0.00 C ATOM 797 CG LEU A 57 4.308 3.464 -6.606 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.594 2.910 -5.382 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.304 4.042 -7.594 1.00 0.00 C ATOM 0 H LEU A 57 7.722 3.944 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 57 5.957 4.599 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.910 4.140 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.787 5.400 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 57 4.839 2.646 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.872 2.155 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.323 2.460 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.075 3.718 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.586 3.272 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.778 4.877 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.828 4.391 -8.484 1.00 0.00 H new ATOM 810 N MET A 58 6.705 7.137 -6.251 1.00 0.00 N ATOM 811 CA MET A 58 6.775 8.592 -6.187 1.00 0.00 C ATOM 812 C MET A 58 8.043 9.105 -6.863 1.00 0.00 C ATOM 813 O MET A 58 8.182 10.301 -7.116 1.00 0.00 O ATOM 814 CB MET A 58 6.732 9.063 -4.733 1.00 0.00 C ATOM 815 CG MET A 58 7.736 8.358 -3.836 1.00 0.00 C ATOM 816 SD MET A 58 9.114 9.422 -3.365 1.00 0.00 S ATOM 817 CE MET A 58 9.253 9.042 -1.620 1.00 0.00 C ATOM 0 H MET A 58 6.971 6.663 -5.388 1.00 0.00 H new ATOM 0 HA MET A 58 5.913 8.996 -6.717 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.920 10.136 -4.702 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.729 8.903 -4.337 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.230 8.006 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.121 7.477 -4.350 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.925 9.756 -1.144 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.269 9.104 -1.155 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.649 8.034 -1.498 1.00 0.00 H new ATOM 825 N ALA A 59 8.966 8.193 -7.151 1.00 0.00 N ATOM 826 CA ALA A 59 10.221 8.554 -7.798 1.00 0.00 C ATOM 827 C ALA A 59 9.977 9.442 -9.013 1.00 0.00 C ATOM 828 O ALA A 59 10.842 10.225 -9.408 1.00 0.00 O ATOM 829 CB ALA A 59 10.985 7.302 -8.202 1.00 0.00 C ATOM 0 H ALA A 59 8.868 7.199 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 59 10.821 9.118 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.920 7.586 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.200 6.705 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.382 6.716 -8.896 1.00 0.00 H new ATOM 835 N THR A 60 8.793 9.316 -9.604 1.00 0.00 N ATOM 836 CA THR A 60 8.435 10.106 -10.776 1.00 0.00 C ATOM 837 C THR A 60 7.443 11.206 -10.415 1.00 0.00 C ATOM 838 O THR A 60 7.708 12.389 -10.626 1.00 0.00 O ATOM 839 CB THR A 60 7.828 9.225 -11.884 1.00 0.00 C ATOM 840 OG1 THR A 60 6.973 8.232 -11.307 1.00 0.00 O ATOM 841 CG2 THR A 60 8.922 8.550 -12.698 1.00 0.00 C ATOM 0 H THR A 60 8.065 8.674 -9.290 1.00 0.00 H new ATOM 0 HA THR A 60 9.355 10.558 -11.146 1.00 0.00 H new ATOM 0 HB THR A 60 7.245 9.864 -12.548 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.590 7.677 -12.018 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.470 7.933 -13.474 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.553 9.309 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.528 7.923 -12.044 1.00 0.00 H new ATOM 849 N GLY A 61 6.298 10.808 -9.870 1.00 0.00 N ATOM 850 CA GLY A 61 5.283 11.773 -9.489 1.00 0.00 C ATOM 851 C GLY A 61 3.981 11.113 -9.077 1.00 0.00 C ATOM 852 O GLY A 61 2.902 11.563 -9.460 1.00 0.00 O ATOM 0 H GLY A 61 6.055 9.835 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.655 12.381 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.096 12.448 -10.324 1.00 0.00 H new ATOM 856 N ASP A 62 4.084 10.043 -8.296 1.00 0.00 N ATOM 857 CA ASP A 62 2.905 9.320 -7.833 1.00 0.00 C ATOM 858 C ASP A 62 2.410 9.882 -6.503 1.00 0.00 C ATOM 859 O ASP A 62 1.238 10.233 -6.364 1.00 0.00 O ATOM 860 CB ASP A 62 3.220 7.831 -7.685 1.00 0.00 C ATOM 861 CG ASP A 62 3.119 7.084 -9.001 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.944 7.350 -9.899 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.215 6.233 -9.131 1.00 0.00 O ATOM 0 H ASP A 62 4.971 9.658 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 62 2.117 9.445 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.225 7.714 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.533 7.387 -6.965 1.00 0.00 H new ATOM 867 N LEU A 63 3.311 9.964 -5.530 1.00 0.00 N ATOM 868 CA LEU A 63 2.966 10.483 -4.211 1.00 0.00 C ATOM 869 C LEU A 63 3.315 11.963 -4.099 1.00 0.00 C ATOM 870 O LEU A 63 3.659 12.451 -3.022 1.00 0.00 O ATOM 871 CB LEU A 63 3.695 9.692 -3.123 1.00 0.00 C ATOM 872 CG LEU A 63 3.444 8.183 -3.107 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.135 7.679 -4.509 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.643 7.448 -2.527 1.00 0.00 C ATOM 0 H LEU A 63 4.285 9.678 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 63 1.890 10.371 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.766 9.861 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.408 10.098 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 63 2.580 7.985 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.959 6.604 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.245 8.182 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.979 7.890 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.446 6.376 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.524 7.653 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.819 7.788 -1.506 1.00 0.00 H new ATOM 885 N ASP A 64 3.223 12.673 -5.218 1.00 0.00 N ATOM 886 CA ASP A 64 3.527 14.099 -5.245 1.00 0.00 C ATOM 887 C ASP A 64 2.466 14.895 -4.490 1.00 0.00 C ATOM 888 O ASP A 64 2.625 16.093 -4.258 1.00 0.00 O ATOM 889 CB ASP A 64 3.620 14.594 -6.690 1.00 0.00 C ATOM 890 CG ASP A 64 4.466 15.845 -6.818 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.427 15.996 -6.035 1.00 0.00 O ATOM 892 OD2 ASP A 64 4.168 16.674 -7.704 1.00 0.00 O ATOM 0 H ASP A 64 2.941 12.285 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 64 4.488 14.250 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.043 13.807 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.618 14.796 -7.067 1.00 0.00 H new ATOM 896 N GLN A 65 1.386 14.220 -4.110 1.00 0.00 N ATOM 897 CA GLN A 65 0.300 14.865 -3.382 1.00 0.00 C ATOM 898 C GLN A 65 0.757 15.296 -1.992 1.00 0.00 C ATOM 899 O GLN A 65 0.200 16.224 -1.405 1.00 0.00 O ATOM 900 CB GLN A 65 -0.898 13.921 -3.268 1.00 0.00 C ATOM 901 CG GLN A 65 -0.818 12.975 -2.081 1.00 0.00 C ATOM 902 CD GLN A 65 0.167 11.844 -2.301 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.345 11.956 -1.961 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.312 10.745 -2.873 1.00 0.00 N ATOM 0 H GLN A 65 1.240 13.227 -4.294 1.00 0.00 H new ATOM 0 HA GLN A 65 0.001 15.754 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.810 14.513 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.977 13.335 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.528 13.536 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.806 12.558 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.296 10.696 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.304 9.951 -3.046 1.00 0.00 H new ATOM 911 N ASP A 66 1.770 14.615 -1.470 1.00 0.00 N ATOM 912 CA ASP A 66 2.302 14.927 -0.149 1.00 0.00 C ATOM 913 C ASP A 66 3.461 14.000 0.203 1.00 0.00 C ATOM 914 O ASP A 66 4.358 14.369 0.961 1.00 0.00 O ATOM 915 CB ASP A 66 1.203 14.812 0.907 1.00 0.00 C ATOM 916 CG ASP A 66 0.851 16.153 1.523 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.386 16.168 2.683 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.042 17.185 0.848 1.00 0.00 O ATOM 0 H ASP A 66 2.240 13.842 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 66 2.672 15.952 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.312 14.378 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.527 14.128 1.692 1.00 0.00 H new ATOM 922 N GLY A 67 3.436 12.791 -0.353 1.00 0.00 N ATOM 923 CA GLY A 67 4.489 11.829 -0.084 1.00 0.00 C ATOM 924 C GLY A 67 3.987 10.617 0.674 1.00 0.00 C ATOM 925 O GLY A 67 4.704 9.628 0.821 1.00 0.00 O ATOM 0 H GLY A 67 2.706 12.462 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.932 11.507 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.279 12.311 0.491 1.00 0.00 H new ATOM 929 N ARG A 68 2.752 10.694 1.160 1.00 0.00 N ATOM 930 CA ARG A 68 2.156 9.595 1.910 1.00 0.00 C ATOM 931 C ARG A 68 1.650 8.506 0.970 1.00 0.00 C ATOM 932 O ARG A 68 1.949 8.517 -0.225 1.00 0.00 O ATOM 933 CB ARG A 68 1.006 10.108 2.779 1.00 0.00 C ATOM 934 CG ARG A 68 1.318 11.413 3.494 1.00 0.00 C ATOM 935 CD ARG A 68 2.604 11.312 4.301 1.00 0.00 C ATOM 936 NE ARG A 68 2.561 12.139 5.504 1.00 0.00 N ATOM 937 CZ ARG A 68 3.630 12.415 6.243 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.817 11.934 5.904 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.510 13.176 7.325 1.00 0.00 N ATOM 0 H ARG A 68 2.145 11.506 1.048 1.00 0.00 H new ATOM 0 HA ARG A 68 2.926 9.167 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.124 10.248 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.755 9.349 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.408 12.217 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.492 11.674 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.775 10.273 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.446 11.618 3.681 1.00 0.00 H new ATOM 0 HE ARG A 68 1.662 12.525 5.792 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.912 11.350 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.636 12.148 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.597 13.548 7.588 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.330 13.388 7.893 1.00 0.00 H new ATOM 950 N ILE A 69 0.884 7.568 1.516 1.00 0.00 N ATOM 951 CA ILE A 69 0.336 6.473 0.725 1.00 0.00 C ATOM 952 C ILE A 69 -1.034 6.052 1.244 1.00 0.00 C ATOM 953 O ILE A 69 -1.156 5.532 2.352 1.00 0.00 O ATOM 954 CB ILE A 69 1.273 5.251 0.732 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.697 5.670 0.359 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.762 4.186 -0.226 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.725 4.584 0.586 1.00 0.00 C ATOM 0 H ILE A 69 0.629 7.544 2.503 1.00 0.00 H new ATOM 0 HA ILE A 69 0.237 6.840 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 69 1.289 4.831 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.717 5.965 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.973 6.548 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.435 3.329 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.235 3.870 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.720 4.595 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.711 4.951 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.733 4.305 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.473 3.712 -0.018 1.00 0.00 H new ATOM 968 N SER A 70 -2.063 6.278 0.433 1.00 0.00 N ATOM 969 CA SER A 70 -3.426 5.925 0.811 1.00 0.00 C ATOM 970 C SER A 70 -3.708 4.455 0.512 1.00 0.00 C ATOM 971 O SER A 70 -3.057 3.846 -0.337 1.00 0.00 O ATOM 972 CB SER A 70 -4.430 6.809 0.068 1.00 0.00 C ATOM 973 OG SER A 70 -5.091 6.084 -0.953 1.00 0.00 O ATOM 0 H SER A 70 -1.978 6.704 -0.490 1.00 0.00 H new ATOM 0 HA SER A 70 -3.533 6.088 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.163 7.202 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.914 7.665 -0.366 1.00 0.00 H new ATOM 0 HG SER A 70 -5.728 6.671 -1.411 1.00 0.00 H new ATOM 978 N PHE A 71 -4.683 3.891 1.217 1.00 0.00 N ATOM 979 CA PHE A 71 -5.052 2.493 1.030 1.00 0.00 C ATOM 980 C PHE A 71 -5.159 2.153 -0.454 1.00 0.00 C ATOM 981 O PHE A 71 -4.795 1.056 -0.878 1.00 0.00 O ATOM 982 CB PHE A 71 -6.380 2.195 1.729 1.00 0.00 C ATOM 983 CG PHE A 71 -6.677 0.728 1.851 1.00 0.00 C ATOM 984 CD1 PHE A 71 -7.974 0.258 1.720 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.661 -0.181 2.099 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.252 -1.092 1.830 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.932 -1.531 2.210 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.229 -1.987 2.078 1.00 0.00 C ATOM 0 H PHE A 71 -5.232 4.381 1.923 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.270 1.875 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.365 2.639 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.188 2.676 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.777 0.954 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.645 0.170 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.267 -1.446 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.130 -2.229 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.443 -3.042 2.169 1.00 0.00 H new ATOM 997 N ASP A 72 -5.661 3.101 -1.238 1.00 0.00 N ATOM 998 CA ASP A 72 -5.817 2.904 -2.674 1.00 0.00 C ATOM 999 C ASP A 72 -4.493 2.491 -3.311 1.00 0.00 C ATOM 1000 O ASP A 72 -4.407 1.452 -3.964 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.338 4.183 -3.333 1.00 0.00 C ATOM 1002 CG ASP A 72 -7.767 4.497 -2.935 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.288 3.832 -2.016 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.364 5.410 -3.543 1.00 0.00 O ATOM 0 H ASP A 72 -5.967 4.014 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.541 2.104 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.695 5.019 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.280 4.080 -4.417 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.467 3.314 -3.120 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.150 3.034 -3.678 1.00 0.00 C ATOM 1010 C GLU A 73 -1.669 1.645 -3.269 1.00 0.00 C ATOM 1011 O GLU A 73 -1.204 0.867 -4.102 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.143 4.090 -3.219 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.858 5.156 -4.264 1.00 0.00 C ATOM 1014 CD GLU A 73 -0.420 4.569 -5.592 1.00 0.00 C ATOM 1015 OE1 GLU A 73 0.168 3.468 -5.588 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -0.667 5.210 -6.635 1.00 0.00 O ATOM 0 H GLU A 73 -3.523 4.180 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.230 3.066 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.520 4.570 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.209 3.597 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.753 5.760 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.081 5.825 -3.893 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.786 1.341 -1.981 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.362 0.046 -1.460 1.00 0.00 C ATOM 1023 C PHE A 74 -1.975 -1.093 -2.270 1.00 0.00 C ATOM 1024 O PHE A 74 -1.268 -1.986 -2.739 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.757 -0.090 0.012 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.650 -1.493 0.534 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.664 -2.410 0.310 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.534 -1.896 1.251 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.567 -3.703 0.789 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.432 -3.187 1.732 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.450 -4.092 1.502 1.00 0.00 C ATOM 0 H PHE A 74 -2.171 1.973 -1.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.277 -0.014 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.122 0.562 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.782 0.259 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.541 -2.111 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.265 -1.193 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.364 -4.408 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.444 -3.489 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.373 -5.101 1.879 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.294 -1.055 -2.428 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.002 -2.083 -3.182 1.00 0.00 C ATOM 1042 C ILE A 75 -3.452 -2.204 -4.599 1.00 0.00 C ATOM 1043 O ILE A 75 -3.085 -3.291 -5.044 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.512 -1.790 -3.252 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.112 -1.750 -1.846 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.216 -2.834 -4.105 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -5.979 -3.057 -1.096 1.00 0.00 C ATOM 0 H ILE A 75 -3.894 -0.324 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.847 -3.024 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.656 -0.814 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.625 -0.961 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.167 -1.487 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.283 -2.613 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.804 -2.817 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.066 -3.822 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.426 -2.956 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.491 -3.846 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.924 -3.312 -0.993 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.396 -1.078 -5.304 1.00 0.00 N ATOM 1059 CA LYS A 76 -2.888 -1.055 -6.670 1.00 0.00 C ATOM 1060 C LYS A 76 -1.544 -1.770 -6.763 1.00 0.00 C ATOM 1061 O LYS A 76 -1.268 -2.467 -7.739 1.00 0.00 O ATOM 1062 CB LYS A 76 -2.745 0.388 -7.158 1.00 0.00 C ATOM 1063 CG LYS A 76 -2.976 0.552 -8.650 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.136 1.681 -9.225 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.785 2.284 -10.460 1.00 0.00 C ATOM 1066 NZ LYS A 76 -2.445 3.727 -10.616 1.00 0.00 N ATOM 0 H LYS A 76 -3.697 -0.170 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.602 -1.578 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.453 1.017 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.746 0.748 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.733 -0.380 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.031 0.752 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.999 2.455 -8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.145 1.305 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.461 1.737 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.867 2.171 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.906 4.102 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.777 4.254 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.414 3.833 -10.705 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.713 -1.593 -5.742 1.00 0.00 N ATOM 1077 CA ILE A 77 0.601 -2.224 -5.708 1.00 0.00 C ATOM 1078 C ILE A 77 0.485 -3.721 -5.441 1.00 0.00 C ATOM 1079 O ILE A 77 1.227 -4.523 -6.008 1.00 0.00 O ATOM 1080 CB ILE A 77 1.502 -1.591 -4.631 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.702 -0.101 -4.915 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.842 -2.309 -4.573 1.00 0.00 C ATOM 1083 CD1 ILE A 77 2.029 0.712 -3.682 1.00 0.00 C ATOM 0 H ILE A 77 -0.926 -1.018 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 77 1.052 -2.065 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 77 1.014 -1.695 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.506 0.017 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.797 0.298 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.468 -1.850 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.682 -3.359 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.338 -2.233 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.157 1.758 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.215 0.625 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.951 0.340 -3.235 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.453 -4.092 -4.575 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.667 -5.493 -4.232 1.00 0.00 C ATOM 1096 C PHE A 78 -1.250 -6.258 -5.416 1.00 0.00 C ATOM 1097 O PHE A 78 -1.100 -7.476 -5.518 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.601 -5.608 -3.026 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.947 -7.026 -2.669 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.028 -7.659 -3.261 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -1.193 -7.724 -1.740 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.349 -8.963 -2.935 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -1.508 -9.028 -1.411 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.588 -9.649 -2.008 1.00 0.00 C ATOM 0 H PHE A 78 -1.077 -3.441 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 78 0.298 -5.931 -3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.132 -5.129 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.520 -5.060 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.627 -7.127 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.349 -7.243 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.194 -9.445 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.910 -9.562 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.837 -10.668 -1.751 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.918 -5.536 -6.311 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.525 -6.146 -7.488 1.00 0.00 C ATOM 1115 C HIS A 79 -1.548 -6.155 -8.659 1.00 0.00 C ATOM 1116 O HIS A 79 -1.539 -7.083 -9.466 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.799 -5.397 -7.877 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.042 -6.224 -7.752 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -6.018 -6.268 -8.726 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.464 -7.044 -6.761 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.987 -7.077 -8.339 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.675 -7.561 -7.150 1.00 0.00 N ATOM 0 H HIS A 79 -2.052 -4.527 -6.243 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.780 -7.177 -7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.897 -4.512 -7.248 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.706 -5.049 -8.906 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.995 -5.755 -9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.945 -7.253 -5.837 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.882 -7.304 -8.899 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.726 -5.113 -8.746 1.00 0.00 N ATOM 1130 CA GLY A 80 0.243 -5.020 -9.823 1.00 0.00 C ATOM 1131 C GLY A 80 -0.403 -5.100 -11.192 1.00 0.00 C ATOM 1132 O GLY A 80 -0.025 -5.933 -12.017 1.00 0.00 O ATOM 0 H GLY A 80 -0.714 -4.332 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.789 -4.080 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.973 -5.823 -9.721 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.380 -4.235 -11.436 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.081 -4.211 -12.715 1.00 0.00 C ATOM 1138 C LEU A 81 -2.361 -2.778 -13.157 1.00 0.00 C ATOM 1139 O LEU A 81 -2.891 -1.974 -12.392 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.393 -4.991 -12.613 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.263 -6.508 -12.462 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.245 -7.026 -11.423 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.485 -7.199 -13.799 1.00 0.00 C ATOM 0 H LEU A 81 -1.706 -3.540 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.441 -4.682 -13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.955 -4.608 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.985 -4.784 -13.504 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.252 -6.735 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.139 -8.107 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.039 -6.556 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.262 -6.787 -11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.389 -8.277 -13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.484 -6.965 -14.168 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.742 -6.851 -14.516 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.003 -2.468 -14.398 1.00 0.00 N ATOM 1155 CA LYS A 82 -2.217 -1.133 -14.946 1.00 0.00 C ATOM 1156 C LYS A 82 -3.673 -0.709 -14.786 1.00 0.00 C ATOM 1157 O LYS A 82 -3.990 0.170 -13.983 1.00 0.00 O ATOM 1158 CB LYS A 82 -1.823 -1.096 -16.423 1.00 0.00 C ATOM 1159 CG LYS A 82 -0.324 -1.195 -16.655 1.00 0.00 C ATOM 1160 CD LYS A 82 0.283 0.164 -16.957 1.00 0.00 C ATOM 1161 CE LYS A 82 -0.094 0.647 -18.349 1.00 0.00 C ATOM 1162 NZ LYS A 82 0.952 0.313 -19.355 1.00 0.00 N ATOM 0 H LYS A 82 -1.563 -3.123 -15.044 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.589 -0.434 -14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.318 -1.916 -16.943 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.190 -0.170 -16.865 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.154 -1.621 -15.773 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.127 -1.875 -17.484 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.056 0.888 -16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.368 0.106 -16.873 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.041 0.195 -18.646 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.248 1.726 -18.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.657 0.659 -20.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.849 0.765 -19.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.081 -0.718 -19.392 1.00 0.00 H new TER 1172 LYS A 82