USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1036 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 70 TYR OH : rot 180:sc= -0.327 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -144:sc= -0.164 (180deg=0) USER MOD Set 1.3: A 74 ASN : amide:sc= -0.976 K(o=-4.3,f=-2.2) USER MOD Set 1.4: A 75 ASN : amide:sc= -2.86 K(o=-4.3,f=-3.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc=0.000246 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -4.02 K(o=-4,f=-7.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 1.83 (180deg=-2.86) USER MOD Single : A 30 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.009) USER MOD Single : A 35 GLN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.525 X(o=-0.52,f=-0.32) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-2.8e-05) USER MOD Single : A 53 ASN : amide:sc= -1.06 X(o=-1.1,f=-1!) USER MOD Single : A 55 ASN : amide:sc= -0.616 K(o=-0.62,f=-6.6!) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.757 (180deg=-0.814) USER MOD Single : A 71 ASN : amide:sc= -8.95! C(o=-9!,f=-19!) USER MOD Single : A 72 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -7.83! C(o=-7.8!,f=-8.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 152:sc= -3.95! (180deg=-6.93!) USER MOD Single : A 95 MET CE :methyl 163:sc= -6.28! (180deg=-7.61!) USER MOD Single : A 96 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-2.1) USER MOD Single : A 97 TYR OH : rot 170:sc= 1.16 USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 103 ASN : amide:sc= -0.982 K(o=-0.98,f=-7.9!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= -1.31! (180deg=-1.59!) USER MOD Single : A 109 LYS NZ :NH3+ 157:sc= -0.0178 (180deg=-1.11) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= 0.414 (180deg=0.248) USER MOD Single : A 118 GLN : amide:sc= -5.66 K(o=-5.7,f=-18!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.24) USER MOD Single : A 125 GLN : amide:sc= 0.916 K(o=0.92,f=-4.7!) USER MOD Single : A 127 GLN : amide:sc= -9.89! C(o=-9.9!,f=-17!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.094 1.216 18.842 1.00 0.00 N ATOM 2 CA MET A 1 10.681 0.766 17.487 1.00 0.00 C ATOM 3 C MET A 1 11.450 1.513 16.401 1.00 0.00 C ATOM 4 O MET A 1 12.401 2.241 16.688 1.00 0.00 O ATOM 5 CB MET A 1 9.176 1.004 17.332 1.00 0.00 C ATOM 6 CG MET A 1 8.374 -0.275 17.158 1.00 0.00 C ATOM 7 SD MET A 1 6.772 -0.208 17.982 1.00 0.00 S ATOM 8 CE MET A 1 7.202 -0.823 19.608 1.00 0.00 C ATOM 0 H1 MET A 1 10.817 0.501 19.545 1.00 0.00 H new ATOM 0 H2 MET A 1 12.126 1.343 18.866 1.00 0.00 H new ATOM 0 H3 MET A 1 10.629 2.119 19.065 1.00 0.00 H new ATOM 0 HA MET A 1 10.906 -0.295 17.376 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.808 1.537 18.209 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.005 1.650 16.471 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.224 -0.463 16.095 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.946 -1.115 17.553 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.312 -0.841 20.237 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.605 -1.832 19.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.951 -0.171 20.057 1.00 0.00 H new ATOM 20 N ALA A 2 11.032 1.329 15.153 1.00 0.00 N ATOM 21 CA ALA A 2 11.680 1.985 14.025 1.00 0.00 C ATOM 22 C ALA A 2 11.619 3.502 14.163 1.00 0.00 C ATOM 23 O ALA A 2 12.646 4.180 14.133 1.00 0.00 O ATOM 24 CB ALA A 2 11.036 1.546 12.718 1.00 0.00 C ATOM 0 H ALA A 2 10.247 0.730 14.898 1.00 0.00 H new ATOM 0 HA ALA A 2 12.729 1.689 14.018 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.530 2.044 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.137 0.466 12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.979 1.813 12.725 1.00 0.00 H new ATOM 30 N ASP A 3 10.408 4.029 14.314 1.00 0.00 N ATOM 31 CA ASP A 3 10.213 5.467 14.458 1.00 0.00 C ATOM 32 C ASP A 3 10.733 6.212 13.232 1.00 0.00 C ATOM 33 O ASP A 3 11.834 6.762 13.249 1.00 0.00 O ATOM 34 CB ASP A 3 10.919 5.976 15.716 1.00 0.00 C ATOM 35 CG ASP A 3 10.537 5.187 16.953 1.00 0.00 C ATOM 36 OD1 ASP A 3 9.357 4.793 17.064 1.00 0.00 O ATOM 37 OD2 ASP A 3 11.417 4.963 17.810 1.00 0.00 O1- ATOM 0 H ASP A 3 9.548 3.482 14.340 1.00 0.00 H new ATOM 0 HA ASP A 3 9.143 5.656 14.549 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.998 5.920 15.572 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.672 7.027 15.868 1.00 0.00 H new ATOM 42 N GLU A 4 9.933 6.226 12.171 1.00 0.00 N ATOM 43 CA GLU A 4 10.312 6.904 10.937 1.00 0.00 C ATOM 44 C GLU A 4 9.212 7.857 10.480 1.00 0.00 C ATOM 45 O GLU A 4 9.477 9.012 10.148 1.00 0.00 O ATOM 46 CB GLU A 4 10.605 5.881 9.838 1.00 0.00 C ATOM 47 CG GLU A 4 9.566 4.775 9.743 1.00 0.00 C ATOM 48 CD GLU A 4 10.056 3.582 8.946 1.00 0.00 C ATOM 49 OE1 GLU A 4 10.838 2.780 9.498 1.00 0.00 O1- ATOM 50 OE2 GLU A 4 9.658 3.450 7.769 1.00 0.00 O ATOM 0 H GLU A 4 9.018 5.776 12.141 1.00 0.00 H new ATOM 0 HA GLU A 4 11.213 7.485 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.663 6.397 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.583 5.435 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.294 4.450 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.662 5.170 9.280 1.00 0.00 H new ATOM 57 N GLN A 5 7.979 7.364 10.468 1.00 0.00 N ATOM 58 CA GLN A 5 6.837 8.171 10.053 1.00 0.00 C ATOM 59 C GLN A 5 5.538 7.612 10.631 1.00 0.00 C ATOM 60 O GLN A 5 4.586 7.343 9.897 1.00 0.00 O ATOM 61 CB GLN A 5 6.752 8.223 8.526 1.00 0.00 C ATOM 62 CG GLN A 5 7.839 9.070 7.884 1.00 0.00 C ATOM 63 CD GLN A 5 7.893 10.475 8.450 1.00 0.00 C ATOM 64 OE1 GLN A 5 6.935 10.949 9.060 1.00 0.00 O ATOM 65 NE2 GLN A 5 9.019 11.151 8.249 1.00 0.00 N ATOM 0 H GLN A 5 7.744 6.410 10.741 1.00 0.00 H new ATOM 0 HA GLN A 5 6.977 9.182 10.436 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.814 7.208 8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.778 8.618 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.805 8.586 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.667 9.122 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.789 10.719 7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.114 12.102 8.606 1.00 0.00 H new ATOM 74 N PRO A 6 5.481 7.431 11.962 1.00 0.00 N ATOM 75 CA PRO A 6 4.291 6.902 12.636 1.00 0.00 C ATOM 76 C PRO A 6 3.139 7.902 12.647 1.00 0.00 C ATOM 77 O PRO A 6 1.995 7.548 12.363 1.00 0.00 O ATOM 78 CB PRO A 6 4.780 6.634 14.060 1.00 0.00 C ATOM 79 CG PRO A 6 5.912 7.582 14.256 1.00 0.00 C ATOM 80 CD PRO A 6 6.571 7.726 12.912 1.00 0.00 C ATOM 0 HA PRO A 6 3.896 6.019 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.989 6.806 14.789 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.104 5.600 14.179 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.555 8.545 14.621 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.616 7.202 14.997 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.970 8.730 12.766 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.403 7.032 12.796 1.00 0.00 H new ATOM 88 N LYS A 7 3.450 9.151 12.978 1.00 0.00 N ATOM 89 CA LYS A 7 2.440 10.202 13.026 1.00 0.00 C ATOM 90 C LYS A 7 2.940 11.470 12.343 1.00 0.00 C ATOM 91 O LYS A 7 3.987 12.010 12.702 1.00 0.00 O ATOM 92 CB LYS A 7 2.060 10.507 14.477 1.00 0.00 C ATOM 93 CG LYS A 7 0.820 11.375 14.611 1.00 0.00 C ATOM 94 CD LYS A 7 1.173 12.853 14.615 1.00 0.00 C ATOM 95 CE LYS A 7 0.171 13.663 15.421 1.00 0.00 C ATOM 96 NZ LYS A 7 -1.073 13.935 14.650 1.00 0.00 N1+ ATOM 0 H LYS A 7 4.392 9.460 13.217 1.00 0.00 H new ATOM 0 HA LYS A 7 1.558 9.848 12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.895 9.568 15.006 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.897 11.005 14.966 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.137 11.165 13.788 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.296 11.123 15.533 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.171 12.989 15.032 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.202 13.224 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.079 13.125 16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.625 14.607 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.730 14.490 15.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.838 14.471 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.521 13.035 14.385 1.00 0.00 H new ATOM 110 N LYS A 8 2.185 11.941 11.355 1.00 0.00 N ATOM 111 CA LYS A 8 2.552 13.146 10.621 1.00 0.00 C ATOM 112 C LYS A 8 1.480 13.505 9.594 1.00 0.00 C ATOM 113 O LYS A 8 0.673 12.661 9.206 1.00 0.00 O ATOM 114 CB LYS A 8 3.899 12.954 9.922 1.00 0.00 C ATOM 115 CG LYS A 8 3.892 11.847 8.881 1.00 0.00 C ATOM 116 CD LYS A 8 4.849 12.149 7.739 1.00 0.00 C ATOM 117 CE LYS A 8 4.117 12.722 6.536 1.00 0.00 C ATOM 118 NZ LYS A 8 3.099 11.776 6.003 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.316 11.506 11.045 1.00 0.00 H new ATOM 0 HA LYS A 8 2.635 13.965 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.187 13.890 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.659 12.732 10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.170 10.903 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.883 11.722 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.607 12.856 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.370 11.237 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.632 13.657 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.837 12.960 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.088 11.827 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.336 10.808 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.161 12.032 6.372 1.00 0.00 H new ATOM 132 N PRO A 9 1.459 14.770 9.138 1.00 0.00 N ATOM 133 CA PRO A 9 0.480 15.237 8.151 1.00 0.00 C ATOM 134 C PRO A 9 0.433 14.345 6.916 1.00 0.00 C ATOM 135 O PRO A 9 1.390 13.632 6.616 1.00 0.00 O ATOM 136 CB PRO A 9 0.985 16.634 7.783 1.00 0.00 C ATOM 137 CG PRO A 9 1.763 17.082 8.971 1.00 0.00 C ATOM 138 CD PRO A 9 2.387 15.841 9.548 1.00 0.00 C ATOM 0 HA PRO A 9 -0.535 15.227 8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.608 16.607 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.157 17.312 7.574 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.526 17.807 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.116 17.569 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.390 15.676 9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.476 15.903 10.633 1.00 0.00 H new ATOM 146 N VAL A 10 -0.688 14.388 6.203 1.00 0.00 N ATOM 147 CA VAL A 10 -0.860 13.583 5.000 1.00 0.00 C ATOM 148 C VAL A 10 -1.357 14.436 3.833 1.00 0.00 C ATOM 149 O VAL A 10 -1.960 15.490 4.037 1.00 0.00 O ATOM 150 CB VAL A 10 -1.840 12.415 5.242 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.484 11.676 6.522 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.278 12.911 5.291 1.00 0.00 C ATOM 0 H VAL A 10 -1.491 14.972 6.438 1.00 0.00 H new ATOM 0 HA VAL A 10 0.117 13.172 4.746 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.752 11.720 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.186 10.856 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.472 11.278 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.538 12.363 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.948 12.068 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.387 13.632 6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.531 13.388 4.344 1.00 0.00 H new ATOM 162 N PRO A 11 -1.109 13.989 2.591 1.00 0.00 N ATOM 163 CA PRO A 11 -1.533 14.715 1.391 1.00 0.00 C ATOM 164 C PRO A 11 -3.033 14.594 1.140 1.00 0.00 C ATOM 165 O PRO A 11 -3.781 14.132 2.001 1.00 0.00 O ATOM 166 CB PRO A 11 -0.747 14.031 0.273 1.00 0.00 C ATOM 167 CG PRO A 11 -0.528 12.642 0.764 1.00 0.00 C ATOM 168 CD PRO A 11 -0.396 12.741 2.260 1.00 0.00 C ATOM 0 HA PRO A 11 -1.345 15.786 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.304 14.037 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.199 14.539 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.362 11.996 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.370 12.210 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.842 11.881 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.649 12.783 2.568 1.00 0.00 H new ATOM 176 N ALA A 12 -3.464 15.011 -0.046 1.00 0.00 N ATOM 177 CA ALA A 12 -4.874 14.949 -0.411 1.00 0.00 C ATOM 178 C ALA A 12 -5.044 14.648 -1.896 1.00 0.00 C ATOM 179 O ALA A 12 -4.586 15.408 -2.750 1.00 0.00 O ATOM 180 CB ALA A 12 -5.570 16.254 -0.052 1.00 0.00 C ATOM 0 H ALA A 12 -2.857 15.395 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.334 14.137 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.622 16.194 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.488 16.427 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.099 17.077 -0.589 1.00 0.00 H new ATOM 186 N ALA A 13 -5.706 13.536 -2.197 1.00 0.00 N ATOM 187 CA ALA A 13 -5.936 13.135 -3.580 1.00 0.00 C ATOM 188 C ALA A 13 -6.814 11.890 -3.651 1.00 0.00 C ATOM 189 O ALA A 13 -6.969 11.170 -2.665 1.00 0.00 O ATOM 190 CB ALA A 13 -4.611 12.889 -4.285 1.00 0.00 C ATOM 0 H ALA A 13 -6.092 12.897 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.459 13.946 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.798 12.590 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.018 13.803 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.067 12.097 -3.771 1.00 0.00 H new ATOM 196 N GLU A 14 -7.386 11.642 -4.825 1.00 0.00 N ATOM 197 CA GLU A 14 -8.249 10.484 -5.025 1.00 0.00 C ATOM 198 C GLU A 14 -8.560 10.287 -6.506 1.00 0.00 C ATOM 199 O GLU A 14 -9.393 10.992 -7.075 1.00 0.00 O ATOM 200 CB GLU A 14 -9.550 10.647 -4.237 1.00 0.00 C ATOM 201 CG GLU A 14 -9.483 10.079 -2.828 1.00 0.00 C ATOM 202 CD GLU A 14 -10.755 9.358 -2.430 1.00 0.00 C ATOM 203 OE1 GLU A 14 -11.204 8.478 -3.195 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -11.304 9.673 -1.353 1.00 0.00 O ATOM 0 H GLU A 14 -7.267 12.227 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.721 9.602 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.801 11.706 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.358 10.156 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.642 9.390 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.292 10.888 -2.123 1.00 0.00 H new ATOM 211 N GLU A 15 -7.884 9.323 -7.124 1.00 0.00 N ATOM 212 CA GLU A 15 -8.089 9.033 -8.538 1.00 0.00 C ATOM 213 C GLU A 15 -7.256 7.831 -8.973 1.00 0.00 C ATOM 214 O GLU A 15 -6.533 7.241 -8.170 1.00 0.00 O ATOM 215 CB GLU A 15 -7.727 10.253 -9.388 1.00 0.00 C ATOM 216 CG GLU A 15 -8.618 10.431 -10.606 1.00 0.00 C ATOM 217 CD GLU A 15 -8.872 11.890 -10.934 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.831 12.723 -10.004 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -9.111 12.198 -12.120 1.00 0.00 O ATOM 0 H GLU A 15 -7.190 8.730 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.142 8.795 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.789 11.148 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.691 10.163 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.155 9.945 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.570 9.930 -10.431 1.00 0.00 H new ATOM 226 N ALA A 16 -7.364 7.474 -10.249 1.00 0.00 N ATOM 227 CA ALA A 16 -6.621 6.343 -10.791 1.00 0.00 C ATOM 228 C ALA A 16 -6.107 6.646 -12.196 1.00 0.00 C ATOM 229 O ALA A 16 -6.566 7.586 -12.844 1.00 0.00 O ATOM 230 CB ALA A 16 -7.494 5.097 -10.803 1.00 0.00 C ATOM 0 H ALA A 16 -7.959 7.952 -10.926 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.759 6.164 -10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.927 4.260 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.808 4.863 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.373 5.275 -11.422 1.00 0.00 H new ATOM 236 N PRO A 17 -5.143 5.848 -12.687 1.00 0.00 N ATOM 237 CA PRO A 17 -4.568 6.036 -14.022 1.00 0.00 C ATOM 238 C PRO A 17 -5.548 5.670 -15.132 1.00 0.00 C ATOM 239 O PRO A 17 -6.340 4.738 -14.992 1.00 0.00 O ATOM 240 CB PRO A 17 -3.371 5.083 -14.031 1.00 0.00 C ATOM 241 CG PRO A 17 -3.725 4.023 -13.046 1.00 0.00 C ATOM 242 CD PRO A 17 -4.539 4.702 -11.980 1.00 0.00 C ATOM 0 HA PRO A 17 -4.303 7.077 -14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.207 4.663 -15.023 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.453 5.597 -13.747 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.294 3.223 -13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.829 3.569 -12.623 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.299 4.037 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.917 5.027 -11.146 1.00 0.00 H new ATOM 250 N ALA A 18 -5.489 6.410 -16.234 1.00 0.00 N ATOM 251 CA ALA A 18 -6.372 6.164 -17.368 1.00 0.00 C ATOM 252 C ALA A 18 -5.693 5.283 -18.410 1.00 0.00 C ATOM 253 O ALA A 18 -4.944 5.770 -19.257 1.00 0.00 O ATOM 254 CB ALA A 18 -6.810 7.481 -17.991 1.00 0.00 C ATOM 0 H ALA A 18 -4.839 7.185 -16.366 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.254 5.637 -17.004 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.469 7.282 -18.836 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.342 8.076 -17.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.934 8.030 -18.335 1.00 0.00 H new ATOM 260 N ALA A 19 -5.960 3.983 -18.344 1.00 0.00 N ATOM 261 CA ALA A 19 -5.375 3.033 -19.282 1.00 0.00 C ATOM 262 C ALA A 19 -6.381 1.957 -19.674 1.00 0.00 C ATOM 263 O ALA A 19 -7.543 2.002 -19.268 1.00 0.00 O ATOM 264 CB ALA A 19 -4.128 2.400 -18.683 1.00 0.00 C ATOM 0 H ALA A 19 -6.578 3.563 -17.650 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.095 3.577 -20.184 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.702 1.693 -19.394 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.396 3.177 -18.461 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.391 1.876 -17.764 1.00 0.00 H new ATOM 270 N GLU A 20 -5.929 0.990 -20.465 1.00 0.00 N ATOM 271 CA GLU A 20 -6.790 -0.099 -20.912 1.00 0.00 C ATOM 272 C GLU A 20 -5.980 -1.367 -21.160 1.00 0.00 C ATOM 273 O GLU A 20 -5.106 -1.397 -22.027 1.00 0.00 O ATOM 274 CB GLU A 20 -7.535 0.303 -22.186 1.00 0.00 C ATOM 275 CG GLU A 20 -8.833 -0.459 -22.397 1.00 0.00 C ATOM 276 CD GLU A 20 -9.903 0.386 -23.062 1.00 0.00 C ATOM 277 OE1 GLU A 20 -9.785 0.644 -24.278 1.00 0.00 O ATOM 278 OE2 GLU A 20 -10.858 0.789 -22.366 1.00 0.00 O1- ATOM 0 H GLU A 20 -4.971 0.938 -20.810 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.515 -0.302 -20.124 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.752 1.371 -22.149 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.884 0.140 -23.045 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.638 -1.340 -23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.202 -0.815 -21.435 1.00 0.00 H new ATOM 285 N ALA A 21 -6.276 -2.411 -20.394 1.00 0.00 N ATOM 286 CA ALA A 21 -5.575 -3.682 -20.531 1.00 0.00 C ATOM 287 C ALA A 21 -4.082 -3.517 -20.269 1.00 0.00 C ATOM 288 O ALA A 21 -3.612 -2.420 -19.969 1.00 0.00 O ATOM 289 CB ALA A 21 -5.808 -4.266 -21.917 1.00 0.00 C ATOM 0 H ALA A 21 -6.996 -2.402 -19.672 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.974 -4.371 -19.786 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.279 -5.215 -22.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.875 -4.430 -22.068 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.437 -3.572 -22.671 1.00 0.00 H new ATOM 295 N GLU A 22 -3.341 -4.614 -20.385 1.00 0.00 N ATOM 296 CA GLU A 22 -1.900 -4.591 -20.161 1.00 0.00 C ATOM 297 C GLU A 22 -1.218 -5.744 -20.888 1.00 0.00 C ATOM 298 O GLU A 22 -1.829 -6.784 -21.135 1.00 0.00 O ATOM 299 CB GLU A 22 -1.595 -4.664 -18.664 1.00 0.00 C ATOM 300 CG GLU A 22 -0.333 -3.917 -18.263 1.00 0.00 C ATOM 301 CD GLU A 22 -0.603 -2.471 -17.898 1.00 0.00 C ATOM 302 OE1 GLU A 22 -1.459 -1.842 -18.555 1.00 0.00 O1- ATOM 303 OE2 GLU A 22 0.042 -1.966 -16.954 1.00 0.00 O ATOM 0 H GLU A 22 -3.715 -5.530 -20.633 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.510 -3.654 -20.559 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.440 -4.257 -18.109 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.496 -5.710 -18.372 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.130 -4.422 -17.415 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.383 -3.953 -19.084 1.00 0.00 H new ATOM 310 N ALA A 23 0.053 -5.554 -21.228 1.00 0.00 N ATOM 311 CA ALA A 23 0.819 -6.578 -21.927 1.00 0.00 C ATOM 312 C ALA A 23 1.351 -7.625 -20.954 1.00 0.00 C ATOM 313 O ALA A 23 0.970 -8.794 -21.015 1.00 0.00 O ATOM 314 CB ALA A 23 1.965 -5.944 -22.701 1.00 0.00 C ATOM 0 H ALA A 23 0.574 -4.700 -21.030 1.00 0.00 H new ATOM 0 HA ALA A 23 0.153 -7.078 -22.630 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.528 -6.721 -23.218 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.566 -5.239 -23.430 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.623 -5.417 -22.010 1.00 0.00 H new ATOM 320 N GLU A 24 2.233 -7.197 -20.057 1.00 0.00 N ATOM 321 CA GLU A 24 2.817 -8.098 -19.070 1.00 0.00 C ATOM 322 C GLU A 24 2.754 -7.489 -17.673 1.00 0.00 C ATOM 323 O GLU A 24 3.245 -6.384 -17.444 1.00 0.00 O ATOM 324 CB GLU A 24 4.268 -8.416 -19.435 1.00 0.00 C ATOM 325 CG GLU A 24 4.723 -9.793 -18.978 1.00 0.00 C ATOM 326 CD GLU A 24 4.166 -10.907 -19.842 1.00 0.00 C ATOM 327 OE1 GLU A 24 4.420 -10.894 -21.065 1.00 0.00 O1- ATOM 328 OE2 GLU A 24 3.474 -11.792 -19.296 1.00 0.00 O ATOM 0 H GLU A 24 2.559 -6.233 -19.993 1.00 0.00 H new ATOM 0 HA GLU A 24 2.238 -9.022 -19.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.386 -8.344 -20.516 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.919 -7.662 -18.992 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.812 -9.836 -18.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.413 -9.950 -17.945 1.00 0.00 H new ATOM 335 N GLU A 25 2.147 -8.219 -16.742 1.00 0.00 N ATOM 336 CA GLU A 25 2.020 -7.750 -15.367 1.00 0.00 C ATOM 337 C GLU A 25 1.998 -8.924 -14.393 1.00 0.00 C ATOM 338 O GLU A 25 1.289 -9.907 -14.606 1.00 0.00 O ATOM 339 CB GLU A 25 0.749 -6.915 -15.206 1.00 0.00 C ATOM 340 CG GLU A 25 -0.511 -7.630 -15.665 1.00 0.00 C ATOM 341 CD GLU A 25 -1.766 -7.068 -15.025 1.00 0.00 C ATOM 342 OE1 GLU A 25 -1.844 -5.833 -14.858 1.00 0.00 O1- ATOM 343 OE2 GLU A 25 -2.670 -7.863 -14.692 1.00 0.00 O ATOM 0 H GLU A 25 1.736 -9.136 -16.915 1.00 0.00 H new ATOM 0 HA GLU A 25 2.886 -7.128 -15.140 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.637 -6.637 -14.158 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.858 -5.990 -15.772 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.594 -7.552 -16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.430 -8.691 -15.427 1.00 0.00 H new ATOM 350 N GLU A 26 2.778 -8.812 -13.323 1.00 0.00 N ATOM 351 CA GLU A 26 2.848 -9.864 -12.315 1.00 0.00 C ATOM 352 C GLU A 26 1.529 -9.981 -11.558 1.00 0.00 C ATOM 353 O GLU A 26 1.343 -9.355 -10.515 1.00 0.00 O ATOM 354 CB GLU A 26 3.989 -9.585 -11.335 1.00 0.00 C ATOM 355 CG GLU A 26 5.321 -10.176 -11.767 1.00 0.00 C ATOM 356 CD GLU A 26 5.562 -11.556 -11.187 1.00 0.00 C ATOM 357 OE1 GLU A 26 5.266 -11.757 -9.990 1.00 0.00 O1- ATOM 358 OE2 GLU A 26 6.049 -12.435 -11.928 1.00 0.00 O ATOM 0 H GLU A 26 3.370 -8.004 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 26 3.039 -10.809 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.100 -8.507 -11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.723 -9.986 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.353 -10.232 -12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.127 -9.510 -11.458 1.00 0.00 H new ATOM 365 N GLU A 27 0.617 -10.787 -12.091 1.00 0.00 N ATOM 366 CA GLU A 27 -0.686 -10.986 -11.465 1.00 0.00 C ATOM 367 C GLU A 27 -0.732 -12.313 -10.715 1.00 0.00 C ATOM 368 O GLU A 27 0.257 -13.045 -10.668 1.00 0.00 O ATOM 369 CB GLU A 27 -1.793 -10.944 -12.520 1.00 0.00 C ATOM 370 CG GLU A 27 -1.697 -12.060 -13.547 1.00 0.00 C ATOM 371 CD GLU A 27 -3.036 -12.387 -14.179 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.690 -11.459 -14.699 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.431 -13.572 -14.153 1.00 0.00 O1- ATOM 0 H GLU A 27 0.755 -11.313 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.845 -10.179 -10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.761 -11.002 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.757 -9.984 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.992 -11.772 -14.327 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.296 -12.954 -13.070 1.00 0.00 H new ATOM 380 N GLY A 28 -1.886 -12.617 -10.131 1.00 0.00 N ATOM 381 CA GLY A 28 -2.040 -13.856 -9.392 1.00 0.00 C ATOM 382 C GLY A 28 -3.493 -14.217 -9.159 1.00 0.00 C ATOM 383 O GLY A 28 -3.892 -15.367 -9.345 1.00 0.00 O ATOM 0 H GLY A 28 -2.718 -12.027 -10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.552 -14.663 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.533 -13.768 -8.431 1.00 0.00 H new ATOM 387 N LEU A 29 -4.287 -13.232 -8.751 1.00 0.00 N ATOM 388 CA LEU A 29 -5.706 -13.451 -8.492 1.00 0.00 C ATOM 389 C LEU A 29 -6.561 -12.849 -9.602 1.00 0.00 C ATOM 390 O LEU A 29 -6.039 -12.301 -10.573 1.00 0.00 O ATOM 391 CB LEU A 29 -6.099 -12.846 -7.143 1.00 0.00 C ATOM 392 CG LEU A 29 -5.887 -13.761 -5.936 1.00 0.00 C ATOM 393 CD1 LEU A 29 -6.643 -15.068 -6.118 1.00 0.00 C ATOM 394 CD2 LEU A 29 -4.404 -14.025 -5.723 1.00 0.00 C ATOM 0 H LEU A 29 -3.972 -12.275 -8.593 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.883 -14.526 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.526 -11.932 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.150 -12.560 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.278 -13.260 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.480 -15.706 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.708 -14.861 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.283 -15.575 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.271 -14.678 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.989 -14.506 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.888 -13.081 -5.547 1.00 0.00 H new ATOM 406 N HIS A 30 -7.877 -12.954 -9.451 1.00 0.00 N ATOM 407 CA HIS A 30 -8.805 -12.419 -10.441 1.00 0.00 C ATOM 408 C HIS A 30 -9.938 -11.652 -9.766 1.00 0.00 C ATOM 409 O HIS A 30 -11.009 -12.203 -9.513 1.00 0.00 O ATOM 410 CB HIS A 30 -9.378 -13.549 -11.297 1.00 0.00 C ATOM 411 CG HIS A 30 -8.400 -14.106 -12.284 1.00 0.00 C ATOM 412 ND1 HIS A 30 -8.472 -15.395 -12.770 1.00 0.00 N ATOM 413 CD2 HIS A 30 -7.322 -13.542 -12.880 1.00 0.00 C ATOM 414 CE1 HIS A 30 -7.481 -15.599 -13.620 1.00 0.00 C ATOM 415 NE2 HIS A 30 -6.770 -14.490 -13.704 1.00 0.00 N ATOM 0 H HIS A 30 -8.325 -13.404 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.255 -11.730 -11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.719 -14.352 -10.643 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.253 -13.180 -11.833 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.964 -12.534 -12.734 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.286 -16.517 -14.155 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.944 -14.359 -14.287 1.00 0.00 H new ATOM 424 N LEU A 31 -9.694 -10.378 -9.477 1.00 0.00 N ATOM 425 CA LEU A 31 -10.694 -9.535 -8.832 1.00 0.00 C ATOM 426 C LEU A 31 -10.320 -8.061 -8.948 1.00 0.00 C ATOM 427 O LEU A 31 -9.172 -7.681 -8.716 1.00 0.00 O ATOM 428 CB LEU A 31 -10.842 -9.921 -7.359 1.00 0.00 C ATOM 429 CG LEU A 31 -11.834 -9.071 -6.564 1.00 0.00 C ATOM 430 CD1 LEU A 31 -12.389 -9.859 -5.387 1.00 0.00 C ATOM 431 CD2 LEU A 31 -11.171 -7.789 -6.084 1.00 0.00 C ATOM 0 H LEU A 31 -8.812 -9.907 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.646 -9.690 -9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.153 -10.964 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.865 -9.853 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.663 -8.805 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.093 -9.238 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.901 -10.749 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.572 -10.155 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.891 -7.196 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.323 -8.035 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.823 -7.216 -6.943 1.00 0.00 H new ATOM 443 N GLU A 32 -11.296 -7.235 -9.309 1.00 0.00 N ATOM 444 CA GLU A 32 -11.070 -5.802 -9.456 1.00 0.00 C ATOM 445 C GLU A 32 -12.134 -5.004 -8.709 1.00 0.00 C ATOM 446 O GLU A 32 -11.841 -4.337 -7.716 1.00 0.00 O ATOM 447 CB GLU A 32 -11.070 -5.414 -10.935 1.00 0.00 C ATOM 448 CG GLU A 32 -10.074 -4.317 -11.276 1.00 0.00 C ATOM 449 CD GLU A 32 -8.807 -4.857 -11.911 1.00 0.00 C ATOM 450 OE1 GLU A 32 -7.946 -5.375 -11.169 1.00 0.00 O ATOM 451 OE2 GLU A 32 -8.677 -4.763 -13.149 1.00 0.00 O1- ATOM 0 H GLU A 32 -12.251 -7.533 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.096 -5.567 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.845 -6.297 -11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.071 -5.085 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.542 -3.605 -11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.817 -3.770 -10.369 1.00 0.00 H new ATOM 458 N ASP A 33 -13.369 -5.077 -9.192 1.00 0.00 N ATOM 459 CA ASP A 33 -14.477 -4.361 -8.570 1.00 0.00 C ATOM 460 C ASP A 33 -14.222 -2.857 -8.570 1.00 0.00 C ATOM 461 O ASP A 33 -14.574 -2.158 -7.620 1.00 0.00 O ATOM 462 CB ASP A 33 -14.690 -4.855 -7.138 1.00 0.00 C ATOM 463 CG ASP A 33 -15.487 -6.143 -7.083 1.00 0.00 C ATOM 464 OD1 ASP A 33 -16.375 -6.329 -7.941 1.00 0.00 O ATOM 465 OD2 ASP A 33 -15.223 -6.967 -6.182 1.00 0.00 O1- ATOM 0 H ASP A 33 -13.628 -5.625 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.377 -4.558 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.722 -5.010 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.208 -4.086 -6.565 1.00 0.00 H new ATOM 470 N ASP A 34 -13.607 -2.366 -9.641 1.00 0.00 N ATOM 471 CA ASP A 34 -13.304 -0.945 -9.766 1.00 0.00 C ATOM 472 C ASP A 34 -12.345 -0.494 -8.669 1.00 0.00 C ATOM 473 O ASP A 34 -12.662 -0.574 -7.482 1.00 0.00 O ATOM 474 CB ASP A 34 -14.591 -0.119 -9.705 1.00 0.00 C ATOM 475 CG ASP A 34 -15.193 0.114 -11.077 1.00 0.00 C ATOM 476 OD1 ASP A 34 -14.448 0.024 -12.076 1.00 0.00 O1- ATOM 477 OD2 ASP A 34 -16.409 0.388 -11.153 1.00 0.00 O ATOM 0 H ASP A 34 -13.308 -2.932 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.824 -0.786 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.318 -0.630 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.381 0.842 -9.235 1.00 0.00 H new ATOM 482 N GLN A 35 -11.171 -0.021 -9.074 1.00 0.00 N ATOM 483 CA GLN A 35 -10.165 0.442 -8.125 1.00 0.00 C ATOM 484 C GLN A 35 -9.735 -0.686 -7.193 1.00 0.00 C ATOM 485 O GLN A 35 -10.197 -1.820 -7.322 1.00 0.00 O ATOM 486 CB GLN A 35 -10.707 1.616 -7.308 1.00 0.00 C ATOM 487 CG GLN A 35 -10.576 2.958 -8.009 1.00 0.00 C ATOM 488 CD GLN A 35 -11.681 3.199 -9.018 1.00 0.00 C ATOM 489 OE1 GLN A 35 -12.716 3.783 -8.696 1.00 0.00 O ATOM 490 NE2 GLN A 35 -11.468 2.747 -10.249 1.00 0.00 N ATOM 0 H GLN A 35 -10.893 0.052 -10.053 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.294 0.773 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.758 1.435 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.178 1.660 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.588 3.755 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.611 3.007 -8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.596 2.268 -10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.177 2.879 -10.970 1.00 0.00 H new ATOM 499 N GLU A 36 -8.849 -0.368 -6.255 1.00 0.00 N ATOM 500 CA GLU A 36 -8.357 -1.355 -5.301 1.00 0.00 C ATOM 501 C GLU A 36 -8.800 -1.008 -3.882 1.00 0.00 C ATOM 502 O GLU A 36 -8.079 -0.336 -3.145 1.00 0.00 O ATOM 503 CB GLU A 36 -6.831 -1.440 -5.365 1.00 0.00 C ATOM 504 CG GLU A 36 -6.309 -2.035 -6.662 1.00 0.00 C ATOM 505 CD GLU A 36 -6.704 -3.488 -6.837 1.00 0.00 C ATOM 506 OE1 GLU A 36 -6.095 -4.353 -6.174 1.00 0.00 O ATOM 507 OE2 GLU A 36 -7.623 -3.761 -7.637 1.00 0.00 O1- ATOM 0 H GLU A 36 -8.457 0.566 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.779 -2.324 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.414 -0.441 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.474 -2.042 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.690 -1.455 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.222 -1.952 -6.684 1.00 0.00 H new ATOM 514 N PRO A 37 -9.998 -1.466 -3.478 1.00 0.00 N ATOM 515 CA PRO A 37 -10.534 -1.202 -2.139 1.00 0.00 C ATOM 516 C PRO A 37 -9.551 -1.578 -1.036 1.00 0.00 C ATOM 517 O PRO A 37 -8.423 -1.987 -1.310 1.00 0.00 O ATOM 518 CB PRO A 37 -11.778 -2.090 -2.071 1.00 0.00 C ATOM 519 CG PRO A 37 -12.192 -2.272 -3.491 1.00 0.00 C ATOM 520 CD PRO A 37 -10.921 -2.277 -4.294 1.00 0.00 C ATOM 0 HA PRO A 37 -10.741 -0.143 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.556 -3.046 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.568 -1.620 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.740 -3.205 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.853 -1.467 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.543 -3.289 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.069 -1.844 -5.283 1.00 0.00 H new ATOM 528 N ARG A 38 -9.986 -1.435 0.211 1.00 0.00 N ATOM 529 CA ARG A 38 -9.143 -1.760 1.356 1.00 0.00 C ATOM 530 C ARG A 38 -9.919 -2.570 2.390 1.00 0.00 C ATOM 531 O ARG A 38 -11.091 -2.889 2.191 1.00 0.00 O ATOM 532 CB ARG A 38 -8.600 -0.481 1.995 1.00 0.00 C ATOM 533 CG ARG A 38 -9.650 0.603 2.174 1.00 0.00 C ATOM 534 CD ARG A 38 -10.684 0.211 3.217 1.00 0.00 C ATOM 535 NE ARG A 38 -11.498 1.349 3.635 1.00 0.00 N ATOM 536 CZ ARG A 38 -12.616 1.238 4.349 1.00 0.00 C ATOM 537 NH1 ARG A 38 -13.056 0.043 4.726 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -13.297 2.324 4.688 1.00 0.00 N ATOM 0 H ARG A 38 -10.917 -1.096 0.455 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.307 -2.363 1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.172 -0.724 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.790 -0.092 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.167 1.534 2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.146 0.791 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.330 -0.568 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.180 -0.213 4.086 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.192 2.284 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.537 -0.796 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.913 -0.036 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.964 3.245 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.154 2.239 5.235 1.00 0.00 H new ATOM 552 N GLU A 39 -9.257 -2.899 3.495 1.00 0.00 N ATOM 553 CA GLU A 39 -9.885 -3.671 4.561 1.00 0.00 C ATOM 554 C GLU A 39 -9.770 -2.946 5.898 1.00 0.00 C ATOM 555 O GLU A 39 -9.201 -1.858 5.979 1.00 0.00 O ATOM 556 CB GLU A 39 -9.243 -5.056 4.662 1.00 0.00 C ATOM 557 CG GLU A 39 -10.212 -6.146 5.088 1.00 0.00 C ATOM 558 CD GLU A 39 -10.004 -7.441 4.328 1.00 0.00 C ATOM 559 OE1 GLU A 39 -10.330 -7.482 3.123 1.00 0.00 O ATOM 560 OE2 GLU A 39 -9.514 -8.415 4.938 1.00 0.00 O1- ATOM 0 H GLU A 39 -8.286 -2.643 3.675 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.942 -3.784 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.814 -5.320 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.420 -5.014 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.096 -6.333 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.234 -5.799 4.934 1.00 0.00 H new ATOM 567 N HIS A 40 -10.314 -3.558 6.945 1.00 0.00 N ATOM 568 CA HIS A 40 -10.272 -2.971 8.280 1.00 0.00 C ATOM 569 C HIS A 40 -9.258 -3.695 9.162 1.00 0.00 C ATOM 570 O HIS A 40 -9.603 -4.637 9.874 1.00 0.00 O ATOM 571 CB HIS A 40 -11.657 -3.025 8.927 1.00 0.00 C ATOM 572 CG HIS A 40 -12.489 -1.808 8.662 1.00 0.00 C ATOM 573 ND1 HIS A 40 -13.032 -1.034 9.666 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.870 -1.231 7.497 1.00 0.00 C ATOM 575 CE1 HIS A 40 -13.711 -0.035 9.131 1.00 0.00 C ATOM 576 NE2 HIS A 40 -13.628 -0.131 7.817 1.00 0.00 N ATOM 0 H HIS A 40 -10.789 -4.459 6.895 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.964 -1.930 8.182 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.187 -3.904 8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.542 -3.149 10.004 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.926 -1.206 10.666 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.624 -1.572 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.244 0.730 9.676 1.00 0.00 H new ATOM 585 N PRO A 41 -7.986 -3.261 9.126 1.00 0.00 N ATOM 586 CA PRO A 41 -6.920 -3.873 9.926 1.00 0.00 C ATOM 587 C PRO A 41 -7.082 -3.594 11.416 1.00 0.00 C ATOM 588 O PRO A 41 -7.705 -2.607 11.809 1.00 0.00 O ATOM 589 CB PRO A 41 -5.648 -3.209 9.393 1.00 0.00 C ATOM 590 CG PRO A 41 -6.104 -1.903 8.842 1.00 0.00 C ATOM 591 CD PRO A 41 -7.488 -2.142 8.303 1.00 0.00 C ATOM 0 HA PRO A 41 -6.918 -4.959 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.913 -3.069 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.175 -3.820 8.624 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.114 -1.135 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.434 -1.555 8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.117 -1.258 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.468 -2.400 7.244 1.00 0.00 H new ATOM 599 N ILE A 42 -6.518 -4.469 12.242 1.00 0.00 N ATOM 600 CA ILE A 42 -6.600 -4.317 13.689 1.00 0.00 C ATOM 601 C ILE A 42 -5.642 -3.237 14.183 1.00 0.00 C ATOM 602 O ILE A 42 -4.672 -2.898 13.506 1.00 0.00 O ATOM 603 CB ILE A 42 -6.287 -5.644 14.411 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.494 -5.494 15.920 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.866 -6.093 14.107 1.00 0.00 C ATOM 606 CD1 ILE A 42 -6.651 -6.814 16.642 1.00 0.00 C ATOM 0 H ILE A 42 -5.999 -5.291 11.933 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.623 -4.021 13.921 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.973 -6.407 14.045 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.646 -4.956 16.343 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.379 -4.884 16.098 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.662 -7.031 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.753 -6.239 13.033 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.163 -5.332 14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.794 -6.631 17.707 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.516 -7.345 16.246 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.756 -7.418 16.494 1.00 0.00 H new ATOM 618 N MET A 43 -5.921 -2.701 15.367 1.00 0.00 N ATOM 619 CA MET A 43 -5.084 -1.660 15.952 1.00 0.00 C ATOM 620 C MET A 43 -3.646 -2.143 16.116 1.00 0.00 C ATOM 621 O MET A 43 -3.303 -3.252 15.706 1.00 0.00 O ATOM 622 CB MET A 43 -5.646 -1.227 17.307 1.00 0.00 C ATOM 623 CG MET A 43 -5.730 -2.359 18.319 1.00 0.00 C ATOM 624 SD MET A 43 -7.195 -2.248 19.365 1.00 0.00 S ATOM 625 CE MET A 43 -8.256 -3.465 18.591 1.00 0.00 C ATOM 0 H MET A 43 -6.721 -2.971 15.940 1.00 0.00 H new ATOM 0 HA MET A 43 -5.085 -0.806 15.275 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.020 -0.432 17.714 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.641 -0.806 17.161 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.736 -3.313 17.792 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.839 -2.347 18.946 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.204 -3.514 19.126 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.438 -3.182 17.554 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.772 -4.441 18.621 1.00 0.00 H new ATOM 635 N GLY A 44 -2.809 -1.303 16.716 1.00 0.00 N ATOM 636 CA GLY A 44 -1.419 -1.663 16.923 1.00 0.00 C ATOM 637 C GLY A 44 -0.479 -0.493 16.708 1.00 0.00 C ATOM 638 O GLY A 44 -0.898 0.664 16.746 1.00 0.00 O ATOM 0 H GLY A 44 -3.069 -0.379 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.293 -2.045 17.936 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.151 -2.471 16.242 1.00 0.00 H new ATOM 642 N GLY A 45 0.795 -0.794 16.482 1.00 0.00 N ATOM 643 CA GLY A 45 1.777 0.252 16.263 1.00 0.00 C ATOM 644 C GLY A 45 2.805 -0.127 15.215 1.00 0.00 C ATOM 645 O GLY A 45 2.456 -0.631 14.147 1.00 0.00 O ATOM 0 H GLY A 45 1.165 -1.744 16.447 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.268 1.165 15.954 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.284 0.472 17.202 1.00 0.00 H new ATOM 649 N ILE A 46 4.076 0.115 15.520 1.00 0.00 N ATOM 650 CA ILE A 46 5.157 -0.204 14.597 1.00 0.00 C ATOM 651 C ILE A 46 5.811 -1.535 14.955 1.00 0.00 C ATOM 652 O ILE A 46 7.003 -1.735 14.723 1.00 0.00 O ATOM 653 CB ILE A 46 6.235 0.897 14.588 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.586 2.279 14.491 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.206 0.680 13.437 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.832 2.503 13.197 1.00 0.00 C ATOM 0 H ILE A 46 4.382 0.531 16.400 1.00 0.00 H new ATOM 0 HA ILE A 46 4.712 -0.274 13.604 1.00 0.00 H new ATOM 0 HB ILE A 46 6.793 0.844 15.523 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.901 2.409 15.329 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.358 3.042 14.589 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.961 1.466 13.445 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.691 -0.290 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.663 0.708 12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.398 3.503 13.197 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.517 2.405 12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.037 1.763 13.106 1.00 0.00 H new ATOM 668 N TYR A 47 5.023 -2.442 15.523 1.00 0.00 N ATOM 669 CA TYR A 47 5.525 -3.754 15.914 1.00 0.00 C ATOM 670 C TYR A 47 4.619 -4.863 15.389 1.00 0.00 C ATOM 671 O TYR A 47 5.094 -5.863 14.850 1.00 0.00 O ATOM 672 CB TYR A 47 5.636 -3.848 17.436 1.00 0.00 C ATOM 673 CG TYR A 47 6.830 -4.646 17.910 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.109 -4.355 17.452 1.00 0.00 C ATOM 675 CD2 TYR A 47 6.678 -5.689 18.814 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.203 -5.083 17.881 1.00 0.00 C ATOM 677 CE2 TYR A 47 7.767 -6.420 19.249 1.00 0.00 C ATOM 678 CZ TYR A 47 9.026 -6.113 18.780 1.00 0.00 C ATOM 679 OH TYR A 47 10.113 -6.840 19.211 1.00 0.00 O ATOM 0 H TYR A 47 4.034 -2.292 15.723 1.00 0.00 H new ATOM 0 HA TYR A 47 6.515 -3.881 15.476 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.695 -2.841 17.850 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.727 -4.302 17.830 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.251 -3.547 16.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.693 -5.933 19.183 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.191 -4.846 17.514 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.632 -7.228 19.953 1.00 0.00 H new ATOM 0 HH TYR A 47 9.817 -7.528 19.843 1.00 0.00 H new ATOM 689 N ASP A 48 3.313 -4.680 15.551 1.00 0.00 N ATOM 690 CA ASP A 48 2.340 -5.666 15.094 1.00 0.00 C ATOM 691 C ASP A 48 2.466 -5.901 13.593 1.00 0.00 C ATOM 692 O ASP A 48 2.134 -5.031 12.787 1.00 0.00 O ATOM 693 CB ASP A 48 0.920 -5.206 15.432 1.00 0.00 C ATOM 694 CG ASP A 48 0.602 -5.350 16.907 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.319 -4.744 17.731 1.00 0.00 O1- ATOM 696 OD2 ASP A 48 -0.365 -6.068 17.239 1.00 0.00 O ATOM 0 H ASP A 48 2.904 -3.858 15.995 1.00 0.00 H new ATOM 0 HA ASP A 48 2.543 -6.605 15.608 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.799 -4.164 15.137 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.205 -5.787 14.850 1.00 0.00 H new ATOM 701 N ALA A 49 2.948 -7.083 13.223 1.00 0.00 N ATOM 702 CA ALA A 49 3.118 -7.434 11.819 1.00 0.00 C ATOM 703 C ALA A 49 2.727 -8.889 11.562 1.00 0.00 C ATOM 704 O ALA A 49 3.499 -9.656 10.987 1.00 0.00 O ATOM 705 CB ALA A 49 4.556 -7.186 11.386 1.00 0.00 C ATOM 0 H ALA A 49 3.228 -7.814 13.877 1.00 0.00 H new ATOM 0 HA ALA A 49 2.456 -6.800 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.671 -7.452 10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.801 -6.133 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.228 -7.796 11.990 1.00 0.00 H new ATOM 711 N PRO A 50 1.516 -9.290 11.988 1.00 0.00 N ATOM 712 CA PRO A 50 1.029 -10.658 11.802 1.00 0.00 C ATOM 713 C PRO A 50 0.570 -10.921 10.373 1.00 0.00 C ATOM 714 O PRO A 50 0.716 -12.029 9.856 1.00 0.00 O ATOM 715 CB PRO A 50 -0.153 -10.738 12.767 1.00 0.00 C ATOM 716 CG PRO A 50 -0.669 -9.343 12.840 1.00 0.00 C ATOM 717 CD PRO A 50 0.529 -8.442 12.686 1.00 0.00 C ATOM 0 HA PRO A 50 1.805 -11.400 11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.917 -11.425 12.403 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.159 -11.098 13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.400 -9.157 12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.171 -9.163 13.790 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.288 -7.550 12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.903 -8.104 13.652 1.00 0.00 H new ATOM 725 N LEU A 51 0.014 -9.894 9.742 1.00 0.00 N ATOM 726 CA LEU A 51 -0.471 -10.007 8.370 1.00 0.00 C ATOM 727 C LEU A 51 -1.482 -11.143 8.241 1.00 0.00 C ATOM 728 O LEU A 51 -1.350 -12.013 7.380 1.00 0.00 O ATOM 729 CB LEU A 51 0.699 -10.234 7.409 1.00 0.00 C ATOM 730 CG LEU A 51 0.460 -9.757 5.975 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.772 -9.357 5.319 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.236 -10.839 5.164 1.00 0.00 C ATOM 0 H LEU A 51 -0.113 -8.972 10.158 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.968 -9.073 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.578 -9.724 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.931 -11.299 7.388 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.187 -8.881 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.582 -9.021 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.232 -8.549 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.445 -10.214 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.398 -10.483 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.387 -11.733 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.196 -11.077 5.623 1.00 0.00 H new ATOM 744 N ASN A 52 -2.493 -11.128 9.104 1.00 0.00 N ATOM 745 CA ASN A 52 -3.528 -12.156 9.088 1.00 0.00 C ATOM 746 C ASN A 52 -4.226 -12.207 7.733 1.00 0.00 C ATOM 747 O ASN A 52 -4.671 -13.266 7.292 1.00 0.00 O ATOM 748 CB ASN A 52 -4.553 -11.894 10.193 1.00 0.00 C ATOM 749 CG ASN A 52 -3.978 -12.111 11.579 1.00 0.00 C ATOM 750 OD1 ASN A 52 -3.609 -11.160 12.267 1.00 0.00 O ATOM 751 ND2 ASN A 52 -3.900 -13.370 11.996 1.00 0.00 N ATOM 0 H ASN A 52 -2.618 -10.415 9.823 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.050 -13.119 9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.918 -10.870 10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.411 -12.551 10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.522 -13.579 12.920 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.218 -14.128 11.392 1.00 0.00 H new ATOM 758 N ASN A 53 -4.316 -11.055 7.076 1.00 0.00 N ATOM 759 CA ASN A 53 -4.959 -10.969 5.770 1.00 0.00 C ATOM 760 C ASN A 53 -4.006 -11.419 4.666 1.00 0.00 C ATOM 761 O ASN A 53 -3.672 -10.649 3.765 1.00 0.00 O ATOM 762 CB ASN A 53 -5.432 -9.538 5.507 1.00 0.00 C ATOM 763 CG ASN A 53 -6.882 -9.327 5.898 1.00 0.00 C ATOM 764 OD1 ASN A 53 -7.759 -10.102 5.516 1.00 0.00 O ATOM 765 ND2 ASN A 53 -7.141 -8.274 6.664 1.00 0.00 N ATOM 0 H ASN A 53 -3.952 -10.169 7.426 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.823 -11.633 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.804 -8.843 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.306 -9.305 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.098 -8.081 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.383 -7.658 6.957 1.00 0.00 H new ATOM 772 N GLU A 54 -3.573 -12.673 4.742 1.00 0.00 N ATOM 773 CA GLU A 54 -2.659 -13.228 3.750 1.00 0.00 C ATOM 774 C GLU A 54 -3.409 -14.053 2.706 1.00 0.00 C ATOM 775 O GLU A 54 -2.808 -14.847 1.983 1.00 0.00 O ATOM 776 CB GLU A 54 -1.599 -14.094 4.433 1.00 0.00 C ATOM 777 CG GLU A 54 -2.171 -15.311 5.142 1.00 0.00 C ATOM 778 CD GLU A 54 -1.180 -16.454 5.229 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.126 -16.278 5.876 1.00 0.00 O ATOM 780 OE2 GLU A 54 -1.458 -17.526 4.651 1.00 0.00 O1- ATOM 0 H GLU A 54 -3.840 -13.324 5.480 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.172 -12.396 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.877 -14.425 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.055 -13.485 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.483 -15.028 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.063 -15.648 4.615 1.00 0.00 H new ATOM 787 N ASN A 55 -4.724 -13.861 2.630 1.00 0.00 N ATOM 788 CA ASN A 55 -5.547 -14.591 1.672 1.00 0.00 C ATOM 789 C ASN A 55 -5.086 -14.323 0.243 1.00 0.00 C ATOM 790 O ASN A 55 -5.210 -15.181 -0.631 1.00 0.00 O ATOM 791 CB ASN A 55 -7.017 -14.198 1.828 1.00 0.00 C ATOM 792 CG ASN A 55 -7.219 -12.696 1.808 1.00 0.00 C ATOM 793 OD1 ASN A 55 -6.567 -11.960 2.549 1.00 0.00 O ATOM 794 ND2 ASN A 55 -8.128 -12.232 0.958 1.00 0.00 N ATOM 0 H ASN A 55 -5.240 -13.208 3.219 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.439 -15.656 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.598 -14.651 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.400 -14.601 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.308 -11.230 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.646 -12.878 0.362 1.00 0.00 H new ATOM 801 N GLY A 56 -4.553 -13.127 0.013 1.00 0.00 N ATOM 802 CA GLY A 56 -4.080 -12.767 -1.311 1.00 0.00 C ATOM 803 C GLY A 56 -4.799 -11.556 -1.873 1.00 0.00 C ATOM 804 O GLY A 56 -4.169 -10.651 -2.422 1.00 0.00 O ATOM 0 H GLY A 56 -4.440 -12.401 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.010 -12.563 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.217 -13.613 -1.985 1.00 0.00 H new ATOM 808 N PHE A 57 -6.120 -11.539 -1.737 1.00 0.00 N ATOM 809 CA PHE A 57 -6.925 -10.429 -2.236 1.00 0.00 C ATOM 810 C PHE A 57 -6.654 -9.160 -1.435 1.00 0.00 C ATOM 811 O PHE A 57 -6.614 -8.061 -1.988 1.00 0.00 O ATOM 812 CB PHE A 57 -8.412 -10.780 -2.170 1.00 0.00 C ATOM 813 CG PHE A 57 -8.883 -11.620 -3.323 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.686 -11.199 -4.629 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.521 -12.829 -3.102 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.118 -11.969 -5.692 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.955 -13.604 -4.161 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.753 -13.173 -5.458 1.00 0.00 C ATOM 0 H PHE A 57 -6.656 -12.280 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.648 -10.249 -3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.610 -11.311 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.993 -9.858 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.189 -10.259 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.681 -13.170 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.959 -11.630 -6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.451 -14.545 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.091 -13.776 -6.287 1.00 0.00 H new ATOM 828 N ASP A 58 -6.467 -9.320 -0.129 1.00 0.00 N ATOM 829 CA ASP A 58 -6.199 -8.187 0.750 1.00 0.00 C ATOM 830 C ASP A 58 -4.795 -7.639 0.517 1.00 0.00 C ATOM 831 O ASP A 58 -4.610 -6.436 0.333 1.00 0.00 O ATOM 832 CB ASP A 58 -6.362 -8.601 2.213 1.00 0.00 C ATOM 833 CG ASP A 58 -6.303 -7.417 3.159 1.00 0.00 C ATOM 834 OD1 ASP A 58 -5.197 -6.872 3.360 1.00 0.00 O ATOM 835 OD2 ASP A 58 -7.362 -7.034 3.698 1.00 0.00 O1- ATOM 0 H ASP A 58 -6.496 -10.223 0.344 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.919 -7.401 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.315 -9.115 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.579 -9.312 2.476 1.00 0.00 H new ATOM 840 N LYS A 59 -3.808 -8.529 0.527 1.00 0.00 N ATOM 841 CA LYS A 59 -2.420 -8.134 0.318 1.00 0.00 C ATOM 842 C LYS A 59 -2.244 -7.470 -1.046 1.00 0.00 C ATOM 843 O LYS A 59 -1.598 -6.428 -1.163 1.00 0.00 O ATOM 844 CB LYS A 59 -1.497 -9.350 0.440 1.00 0.00 C ATOM 845 CG LYS A 59 -1.579 -10.305 -0.740 1.00 0.00 C ATOM 846 CD LYS A 59 -0.654 -11.497 -0.557 1.00 0.00 C ATOM 847 CE LYS A 59 0.751 -11.192 -1.048 1.00 0.00 C ATOM 848 NZ LYS A 59 1.789 -11.860 -0.215 1.00 0.00 N1+ ATOM 0 H LYS A 59 -3.944 -9.529 0.678 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.151 -7.410 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.469 -9.004 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.745 -9.893 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.605 -10.654 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.316 -9.776 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.620 -11.774 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.052 -12.354 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.852 -11.517 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.914 -10.114 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.723 -11.460 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.577 -11.707 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.793 -12.880 -0.417 1.00 0.00 H new ATOM 862 N GLU A 60 -2.825 -8.081 -2.074 1.00 0.00 N ATOM 863 CA GLU A 60 -2.735 -7.550 -3.429 1.00 0.00 C ATOM 864 C GLU A 60 -3.517 -6.247 -3.556 1.00 0.00 C ATOM 865 O GLU A 60 -3.072 -5.307 -4.213 1.00 0.00 O ATOM 866 CB GLU A 60 -3.261 -8.574 -4.436 1.00 0.00 C ATOM 867 CG GLU A 60 -2.464 -9.868 -4.461 1.00 0.00 C ATOM 868 CD GLU A 60 -1.494 -9.932 -5.625 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.953 -9.874 -6.785 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.274 -10.041 -5.376 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.363 -8.944 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.686 -7.345 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.301 -8.802 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.250 -8.131 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.912 -9.969 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.151 -10.713 -4.518 1.00 0.00 H new ATOM 877 N ASP A 61 -4.683 -6.199 -2.920 1.00 0.00 N ATOM 878 CA ASP A 61 -5.526 -5.010 -2.962 1.00 0.00 C ATOM 879 C ASP A 61 -4.790 -3.803 -2.391 1.00 0.00 C ATOM 880 O ASP A 61 -4.744 -2.741 -3.011 1.00 0.00 O ATOM 881 CB ASP A 61 -6.820 -5.249 -2.181 1.00 0.00 C ATOM 882 CG ASP A 61 -7.904 -5.876 -3.036 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.967 -5.557 -4.243 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.690 -6.685 -2.500 1.00 0.00 O ATOM 0 H ASP A 61 -5.065 -6.969 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.771 -4.805 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.613 -5.897 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.180 -4.301 -1.780 1.00 0.00 H new ATOM 889 N LEU A 62 -4.213 -3.974 -1.206 1.00 0.00 N ATOM 890 CA LEU A 62 -3.476 -2.899 -0.552 1.00 0.00 C ATOM 891 C LEU A 62 -2.233 -2.524 -1.351 1.00 0.00 C ATOM 892 O LEU A 62 -2.028 -1.359 -1.688 1.00 0.00 O ATOM 893 CB LEU A 62 -3.075 -3.312 0.862 1.00 0.00 C ATOM 894 CG LEU A 62 -2.913 -2.154 1.847 1.00 0.00 C ATOM 895 CD1 LEU A 62 -2.057 -1.048 1.248 1.00 0.00 C ATOM 896 CD2 LEU A 62 -4.271 -1.613 2.260 1.00 0.00 C ATOM 0 H LEU A 62 -4.242 -4.847 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.130 -2.029 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.826 -3.999 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.135 -3.862 0.812 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.406 -2.532 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.956 -0.236 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.070 -1.442 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.530 -0.672 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.137 -0.789 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.804 -1.256 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.848 -2.405 2.737 1.00 0.00 H new ATOM 908 N ALA A 63 -1.403 -3.520 -1.646 1.00 0.00 N ATOM 909 CA ALA A 63 -0.176 -3.295 -2.402 1.00 0.00 C ATOM 910 C ALA A 63 -0.461 -2.578 -3.718 1.00 0.00 C ATOM 911 O ALA A 63 0.123 -1.533 -4.005 1.00 0.00 O ATOM 912 CB ALA A 63 0.533 -4.616 -2.662 1.00 0.00 C ATOM 0 H ALA A 63 -1.558 -4.490 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 63 0.475 -2.656 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.447 -4.433 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.782 -5.088 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.122 -5.274 -3.234 1.00 0.00 H new ATOM 918 N ARG A 64 -1.362 -3.144 -4.513 1.00 0.00 N ATOM 919 CA ARG A 64 -1.723 -2.555 -5.797 1.00 0.00 C ATOM 920 C ARG A 64 -2.348 -1.176 -5.608 1.00 0.00 C ATOM 921 O ARG A 64 -2.137 -0.272 -6.417 1.00 0.00 O ATOM 922 CB ARG A 64 -2.694 -3.469 -6.546 1.00 0.00 C ATOM 923 CG ARG A 64 -2.580 -3.369 -8.059 1.00 0.00 C ATOM 924 CD ARG A 64 -2.805 -1.945 -8.541 1.00 0.00 C ATOM 925 NE ARG A 64 -3.124 -1.893 -9.966 1.00 0.00 N ATOM 926 CZ ARG A 64 -4.255 -2.360 -10.489 1.00 0.00 C ATOM 927 NH1 ARG A 64 -5.177 -2.913 -9.711 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -4.466 -2.273 -11.796 1.00 0.00 N ATOM 0 H ARG A 64 -1.855 -4.009 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.812 -2.443 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.515 -4.501 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.714 -3.223 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.594 -3.709 -8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.310 -4.032 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.617 -1.493 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.911 -1.351 -8.348 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.440 -1.474 -10.596 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.021 -2.982 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.042 -3.269 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.762 -1.848 -12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.333 -2.631 -12.198 1.00 0.00 H new ATOM 942 N PHE A 65 -3.118 -1.022 -4.536 1.00 0.00 N ATOM 943 CA PHE A 65 -3.774 0.246 -4.240 1.00 0.00 C ATOM 944 C PHE A 65 -2.747 1.338 -3.956 1.00 0.00 C ATOM 945 O PHE A 65 -2.716 2.363 -4.634 1.00 0.00 O ATOM 946 CB PHE A 65 -4.718 0.092 -3.046 1.00 0.00 C ATOM 947 CG PHE A 65 -5.438 1.359 -2.679 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.348 1.932 -3.553 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.204 1.976 -1.461 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.011 3.097 -3.219 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.864 3.142 -1.121 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.769 3.703 -2.001 1.00 0.00 C ATOM 0 H PHE A 65 -3.303 -1.760 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.354 0.538 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.453 -0.681 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.147 -0.254 -2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.541 1.462 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.498 1.541 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.718 3.534 -3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.672 3.614 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.286 4.614 -1.738 1.00 0.00 H new ATOM 962 N ALA A 66 -1.910 1.111 -2.948 1.00 0.00 N ATOM 963 CA ALA A 66 -0.883 2.078 -2.576 1.00 0.00 C ATOM 964 C ALA A 66 0.036 2.385 -3.754 1.00 0.00 C ATOM 965 O ALA A 66 0.202 3.543 -4.144 1.00 0.00 O ATOM 966 CB ALA A 66 -0.075 1.561 -1.395 1.00 0.00 C ATOM 0 H ALA A 66 -1.923 0.267 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.379 3.004 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.688 2.292 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.737 1.400 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.404 0.620 -1.666 1.00 0.00 H new ATOM 972 N VAL A 67 0.628 1.338 -4.322 1.00 0.00 N ATOM 973 CA VAL A 67 1.526 1.493 -5.460 1.00 0.00 C ATOM 974 C VAL A 67 0.871 2.318 -6.564 1.00 0.00 C ATOM 975 O VAL A 67 1.388 3.360 -6.963 1.00 0.00 O ATOM 976 CB VAL A 67 1.951 0.124 -6.030 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.930 0.299 -7.181 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.556 -0.745 -4.937 1.00 0.00 C ATOM 0 H VAL A 67 0.502 0.374 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 67 2.413 2.015 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 67 1.062 -0.377 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.216 -0.679 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.459 0.879 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.818 0.823 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.850 -1.707 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.432 -0.248 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.820 -0.903 -4.149 1.00 0.00 H new ATOM 988 N ARG A 68 -0.273 1.845 -7.047 1.00 0.00 N ATOM 989 CA ARG A 68 -1.004 2.539 -8.102 1.00 0.00 C ATOM 990 C ARG A 68 -1.388 3.950 -7.663 1.00 0.00 C ATOM 991 O ARG A 68 -1.455 4.868 -8.481 1.00 0.00 O ATOM 992 CB ARG A 68 -2.259 1.749 -8.481 1.00 0.00 C ATOM 993 CG ARG A 68 -3.116 2.431 -9.537 1.00 0.00 C ATOM 994 CD ARG A 68 -4.119 1.468 -10.153 1.00 0.00 C ATOM 995 NE ARG A 68 -5.496 1.915 -9.961 1.00 0.00 N ATOM 996 CZ ARG A 68 -6.180 1.749 -8.831 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.618 1.148 -7.789 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -7.429 2.186 -8.741 1.00 0.00 N ATOM 0 H ARG A 68 -0.714 0.984 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.353 2.616 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.962 0.766 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.860 1.588 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.646 3.271 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.475 2.839 -10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.916 1.366 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.993 0.481 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.961 2.382 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.657 0.811 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.147 1.024 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.866 2.649 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.953 2.059 -7.875 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.639 4.115 -6.368 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.017 5.414 -5.822 1.00 0.00 C ATOM 1014 C GLU A 69 -0.907 6.436 -6.033 1.00 0.00 C ATOM 1015 O GLU A 69 -1.159 7.566 -6.450 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.332 5.291 -4.330 1.00 0.00 C ATOM 1017 CG GLU A 69 -2.864 6.574 -3.713 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.126 7.068 -4.393 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -4.027 7.591 -5.523 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -5.215 6.931 -3.796 1.00 0.00 O1- ATOM 0 H GLU A 69 -1.588 3.366 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.908 5.756 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.065 4.497 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.428 4.990 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.067 6.407 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.097 7.347 -3.772 1.00 0.00 H new ATOM 1027 N TYR A 70 0.323 6.033 -5.739 1.00 0.00 N ATOM 1028 CA TYR A 70 1.473 6.917 -5.894 1.00 0.00 C ATOM 1029 C TYR A 70 2.090 6.788 -7.288 1.00 0.00 C ATOM 1030 O TYR A 70 2.960 7.570 -7.663 1.00 0.00 O ATOM 1031 CB TYR A 70 2.512 6.613 -4.807 1.00 0.00 C ATOM 1032 CG TYR A 70 3.718 5.831 -5.286 1.00 0.00 C ATOM 1033 CD1 TYR A 70 3.675 4.447 -5.388 1.00 0.00 C ATOM 1034 CD2 TYR A 70 4.898 6.479 -5.631 1.00 0.00 C ATOM 1035 CE1 TYR A 70 4.774 3.729 -5.823 1.00 0.00 C ATOM 1036 CE2 TYR A 70 6.000 5.768 -6.067 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.933 4.395 -6.161 1.00 0.00 C ATOM 1038 OH TYR A 70 7.029 3.684 -6.594 1.00 0.00 O ATOM 0 H TYR A 70 0.550 5.101 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 70 1.134 7.947 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.854 7.554 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.028 6.054 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.769 3.923 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.955 7.555 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.725 2.653 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.910 6.286 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 70 7.763 4.303 -6.792 1.00 0.00 H new ATOM 1048 N ASN A 71 1.642 5.795 -8.047 1.00 0.00 N ATOM 1049 CA ASN A 71 2.161 5.576 -9.393 1.00 0.00 C ATOM 1050 C ASN A 71 1.327 6.313 -10.437 1.00 0.00 C ATOM 1051 O ASN A 71 1.824 6.655 -11.511 1.00 0.00 O ATOM 1052 CB ASN A 71 2.192 4.082 -9.718 1.00 0.00 C ATOM 1053 CG ASN A 71 3.533 3.453 -9.407 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.607 2.424 -8.738 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.604 4.073 -9.892 1.00 0.00 N ATOM 0 H ASN A 71 0.924 5.131 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 71 3.176 5.972 -9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.414 3.573 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.962 3.937 -10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.535 3.697 -9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.495 4.925 -10.442 1.00 0.00 H new ATOM 1062 N ASN A 72 0.059 6.552 -10.122 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.835 7.243 -11.043 1.00 0.00 C ATOM 1064 C ASN A 72 -0.561 8.744 -11.050 1.00 0.00 C ATOM 1065 O ASN A 72 -0.732 9.413 -12.069 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.299 6.966 -10.673 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.842 7.928 -9.632 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.253 9.043 -9.955 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -2.847 7.501 -8.375 1.00 0.00 N ATOM 0 H ASN A 72 -0.372 6.278 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.649 6.862 -12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.913 7.028 -11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.386 5.946 -10.297 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.201 8.105 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.497 6.569 -8.151 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.141 9.269 -9.902 1.00 0.00 N ATOM 1077 CA LYS A 73 0.148 10.695 -9.775 1.00 0.00 C ATOM 1078 C LYS A 73 1.069 11.178 -10.899 1.00 0.00 C ATOM 1079 O LYS A 73 0.604 11.720 -11.902 1.00 0.00 O ATOM 1080 CB LYS A 73 0.767 11.011 -8.409 1.00 0.00 C ATOM 1081 CG LYS A 73 1.641 9.904 -7.854 1.00 0.00 C ATOM 1082 CD LYS A 73 2.791 10.464 -7.027 1.00 0.00 C ATOM 1083 CE LYS A 73 4.139 9.994 -7.548 1.00 0.00 C ATOM 1084 NZ LYS A 73 5.190 11.037 -7.391 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.007 8.730 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.799 11.228 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.361 11.921 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.033 11.218 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.038 9.238 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.038 9.306 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.754 11.553 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.675 10.157 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.440 9.092 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.048 9.726 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.839 11.001 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.744 11.975 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.722 10.864 -6.514 1.00 0.00 H new ATOM 1098 N ASN A 74 2.374 10.980 -10.727 1.00 0.00 N ATOM 1099 CA ASN A 74 3.353 11.397 -11.725 1.00 0.00 C ATOM 1100 C ASN A 74 4.668 10.642 -11.547 1.00 0.00 C ATOM 1101 O ASN A 74 5.727 11.127 -11.943 1.00 0.00 O ATOM 1102 CB ASN A 74 3.607 12.900 -11.610 1.00 0.00 C ATOM 1103 CG ASN A 74 3.957 13.313 -10.193 1.00 0.00 C ATOM 1104 OD1 ASN A 74 3.176 13.984 -9.519 1.00 0.00 O ATOM 1105 ND2 ASN A 74 5.139 12.913 -9.733 1.00 0.00 N ATOM 0 H ASN A 74 2.777 10.532 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 74 2.951 11.168 -12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.419 13.182 -12.280 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.720 13.443 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.429 13.161 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.756 12.358 -10.326 1.00 0.00 H new ATOM 1112 N ASN A 75 4.600 9.463 -10.937 1.00 0.00 N ATOM 1113 CA ASN A 75 5.794 8.661 -10.698 1.00 0.00 C ATOM 1114 C ASN A 75 6.272 7.980 -11.979 1.00 0.00 C ATOM 1115 O ASN A 75 5.832 8.319 -13.078 1.00 0.00 O ATOM 1116 CB ASN A 75 5.519 7.612 -9.620 1.00 0.00 C ATOM 1117 CG ASN A 75 6.678 7.456 -8.655 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.026 8.386 -7.928 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.285 6.275 -8.646 1.00 0.00 N ATOM 0 H ASN A 75 3.734 9.043 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 75 6.583 9.330 -10.356 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.623 7.891 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.314 6.653 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.073 6.111 -8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.963 5.532 -9.266 1.00 0.00 H new ATOM 1126 N ALA A 76 7.179 7.019 -11.825 1.00 0.00 N ATOM 1127 CA ALA A 76 7.727 6.285 -12.960 1.00 0.00 C ATOM 1128 C ALA A 76 6.722 5.277 -13.508 1.00 0.00 C ATOM 1129 O ALA A 76 6.761 4.927 -14.687 1.00 0.00 O ATOM 1130 CB ALA A 76 9.010 5.578 -12.553 1.00 0.00 C ATOM 0 H ALA A 76 7.551 6.730 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 76 7.947 7.002 -13.751 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.412 5.033 -13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.740 6.314 -12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.799 4.880 -11.743 1.00 0.00 H new ATOM 1136 N LEU A 77 5.825 4.811 -12.641 1.00 0.00 N ATOM 1137 CA LEU A 77 4.805 3.837 -13.028 1.00 0.00 C ATOM 1138 C LEU A 77 5.395 2.432 -13.114 1.00 0.00 C ATOM 1139 O LEU A 77 5.743 1.959 -14.196 1.00 0.00 O ATOM 1140 CB LEU A 77 4.167 4.219 -14.368 1.00 0.00 C ATOM 1141 CG LEU A 77 2.693 3.838 -14.520 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.481 2.370 -14.180 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.822 4.722 -13.640 1.00 0.00 C ATOM 0 H LEU A 77 5.784 5.093 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 77 4.033 3.843 -12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.263 5.296 -14.504 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.733 3.745 -15.170 1.00 0.00 H new ATOM 0 HG LEU A 77 2.403 3.993 -15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.427 2.119 -14.294 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.076 1.751 -14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.788 2.187 -13.150 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.777 4.438 -13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.114 4.598 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.950 5.765 -13.931 1.00 0.00 H new ATOM 1155 N LEU A 78 5.499 1.769 -11.966 1.00 0.00 N ATOM 1156 CA LEU A 78 6.042 0.415 -11.907 1.00 0.00 C ATOM 1157 C LEU A 78 4.938 -0.591 -11.587 1.00 0.00 C ATOM 1158 O LEU A 78 3.759 -0.238 -11.555 1.00 0.00 O ATOM 1159 CB LEU A 78 7.162 0.324 -10.862 1.00 0.00 C ATOM 1160 CG LEU A 78 7.188 1.449 -9.823 1.00 0.00 C ATOM 1161 CD1 LEU A 78 6.062 1.276 -8.815 1.00 0.00 C ATOM 1162 CD2 LEU A 78 8.534 1.489 -9.115 1.00 0.00 C ATOM 0 H LEU A 78 5.214 2.148 -11.063 1.00 0.00 H new ATOM 0 HA LEU A 78 6.461 0.174 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.070 -0.628 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.120 0.311 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 78 7.041 2.397 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.099 2.086 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.103 1.297 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.176 0.321 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.535 2.294 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.709 0.538 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.324 1.663 -9.845 1.00 0.00 H new ATOM 1174 N GLU A 79 5.321 -1.844 -11.354 1.00 0.00 N ATOM 1175 CA GLU A 79 4.349 -2.888 -11.043 1.00 0.00 C ATOM 1176 C GLU A 79 4.797 -3.723 -9.847 1.00 0.00 C ATOM 1177 O GLU A 79 5.938 -4.177 -9.787 1.00 0.00 O ATOM 1178 CB GLU A 79 4.137 -3.793 -12.258 1.00 0.00 C ATOM 1179 CG GLU A 79 3.164 -3.224 -13.278 1.00 0.00 C ATOM 1180 CD GLU A 79 3.561 -3.546 -14.705 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.776 -3.641 -14.976 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 2.656 -3.701 -15.552 1.00 0.00 O ATOM 0 H GLU A 79 6.291 -2.159 -11.374 1.00 0.00 H new ATOM 0 HA GLU A 79 3.408 -2.402 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.098 -3.968 -12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.770 -4.762 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.167 -3.620 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.107 -2.142 -13.156 1.00 0.00 H new ATOM 1189 N PHE A 80 3.886 -3.927 -8.899 1.00 0.00 N ATOM 1190 CA PHE A 80 4.184 -4.712 -7.707 1.00 0.00 C ATOM 1191 C PHE A 80 4.011 -6.204 -7.986 1.00 0.00 C ATOM 1192 O PHE A 80 3.185 -6.599 -8.809 1.00 0.00 O ATOM 1193 CB PHE A 80 3.290 -4.265 -6.539 1.00 0.00 C ATOM 1194 CG PHE A 80 2.123 -5.175 -6.263 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.968 -5.095 -7.026 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.184 -6.109 -5.242 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.103 -5.930 -6.775 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.115 -6.947 -4.986 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.030 -6.858 -5.753 1.00 0.00 C ATOM 0 H PHE A 80 2.935 -3.559 -8.934 1.00 0.00 H new ATOM 0 HA PHE A 80 5.224 -4.541 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.900 -4.193 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.913 -3.264 -6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.905 -4.372 -7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.077 -6.183 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.997 -5.858 -7.377 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.175 -7.671 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.866 -7.512 -5.555 1.00 0.00 H new ATOM 1209 N VAL A 81 4.794 -7.027 -7.296 1.00 0.00 N ATOM 1210 CA VAL A 81 4.724 -8.472 -7.473 1.00 0.00 C ATOM 1211 C VAL A 81 4.031 -9.137 -6.289 1.00 0.00 C ATOM 1212 O VAL A 81 3.278 -10.096 -6.458 1.00 0.00 O ATOM 1213 CB VAL A 81 6.126 -9.087 -7.646 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.690 -8.753 -9.018 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.060 -8.607 -6.545 1.00 0.00 C ATOM 0 H VAL A 81 5.483 -6.718 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 81 4.144 -8.652 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 81 6.039 -10.171 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.681 -9.196 -9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.031 -9.152 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.763 -7.671 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.045 -9.052 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.143 -7.521 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.662 -8.904 -5.575 1.00 0.00 H new ATOM 1225 N ARG A 82 4.289 -8.619 -5.091 1.00 0.00 N ATOM 1226 CA ARG A 82 3.690 -9.160 -3.875 1.00 0.00 C ATOM 1227 C ARG A 82 4.216 -8.434 -2.642 1.00 0.00 C ATOM 1228 O ARG A 82 5.220 -7.726 -2.709 1.00 0.00 O ATOM 1229 CB ARG A 82 3.975 -10.655 -3.754 1.00 0.00 C ATOM 1230 CG ARG A 82 5.448 -10.982 -3.855 1.00 0.00 C ATOM 1231 CD ARG A 82 5.675 -12.427 -4.270 1.00 0.00 C ATOM 1232 NE ARG A 82 6.838 -12.570 -5.141 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.083 -13.650 -5.880 1.00 0.00 C ATOM 1234 NH1 ARG A 82 6.249 -14.682 -5.856 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.165 -13.698 -6.646 1.00 0.00 N ATOM 0 H ARG A 82 4.910 -7.824 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 82 2.612 -9.009 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.592 -11.017 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.435 -11.187 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.920 -10.317 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.928 -10.800 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.810 -13.043 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.789 -12.800 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 82 7.502 -11.797 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.415 -14.650 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.442 -15.507 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.809 -12.908 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.353 -14.525 -7.212 1.00 0.00 H new ATOM 1249 N VAL A 83 3.532 -8.614 -1.516 1.00 0.00 N ATOM 1250 CA VAL A 83 3.932 -7.973 -0.272 1.00 0.00 C ATOM 1251 C VAL A 83 4.887 -8.856 0.527 1.00 0.00 C ATOM 1252 O VAL A 83 4.742 -10.079 0.553 1.00 0.00 O ATOM 1253 CB VAL A 83 2.706 -7.622 0.599 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.631 -6.941 -0.236 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.150 -8.863 1.286 1.00 0.00 C ATOM 0 H VAL A 83 2.699 -9.198 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 83 4.448 -7.052 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 83 3.030 -6.927 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.776 -6.702 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.032 -6.023 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.314 -7.609 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.287 -8.587 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.846 -9.590 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.918 -9.300 1.924 1.00 0.00 H new ATOM 1265 N VAL A 84 5.859 -8.228 1.177 1.00 0.00 N ATOM 1266 CA VAL A 84 6.837 -8.953 1.979 1.00 0.00 C ATOM 1267 C VAL A 84 6.713 -8.598 3.461 1.00 0.00 C ATOM 1268 O VAL A 84 7.174 -9.344 4.325 1.00 0.00 O ATOM 1269 CB VAL A 84 8.275 -8.661 1.507 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.589 -7.177 1.628 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.278 -9.494 2.292 1.00 0.00 C ATOM 0 H VAL A 84 5.991 -7.217 1.164 1.00 0.00 H new ATOM 0 HA VAL A 84 6.628 -10.015 1.849 1.00 0.00 H new ATOM 0 HB VAL A 84 8.354 -8.939 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.609 -6.992 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.893 -6.607 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.490 -6.868 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.287 -9.273 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.200 -9.254 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.067 -10.553 2.143 1.00 0.00 H new ATOM 1281 N LYS A 85 6.090 -7.458 3.751 1.00 0.00 N ATOM 1282 CA LYS A 85 5.912 -7.014 5.130 1.00 0.00 C ATOM 1283 C LYS A 85 4.586 -6.282 5.299 1.00 0.00 C ATOM 1284 O LYS A 85 4.060 -5.702 4.349 1.00 0.00 O ATOM 1285 CB LYS A 85 7.066 -6.102 5.553 1.00 0.00 C ATOM 1286 CG LYS A 85 8.427 -6.571 5.065 1.00 0.00 C ATOM 1287 CD LYS A 85 9.543 -6.085 5.976 1.00 0.00 C ATOM 1288 CE LYS A 85 10.890 -6.117 5.272 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.020 -6.211 6.237 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.701 -6.827 3.051 1.00 0.00 H new ATOM 0 HA LYS A 85 5.905 -7.898 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.881 -5.097 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.084 -6.034 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.442 -7.660 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.597 -6.206 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.328 -5.069 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.583 -6.709 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.923 -6.967 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.004 -5.218 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.920 -6.230 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.004 -5.387 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.926 -7.082 6.798 1.00 0.00 H new ATOM 1303 N ALA A 86 4.050 -6.314 6.515 1.00 0.00 N ATOM 1304 CA ALA A 86 2.784 -5.656 6.807 1.00 0.00 C ATOM 1305 C ALA A 86 2.648 -5.345 8.294 1.00 0.00 C ATOM 1306 O ALA A 86 2.969 -6.175 9.145 1.00 0.00 O ATOM 1307 CB ALA A 86 1.628 -6.523 6.337 1.00 0.00 C ATOM 0 H ALA A 86 4.473 -6.788 7.313 1.00 0.00 H new ATOM 0 HA ALA A 86 2.762 -4.709 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.685 -6.024 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.708 -6.685 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.660 -7.483 6.852 1.00 0.00 H new ATOM 1313 N LYS A 87 2.168 -4.143 8.596 1.00 0.00 N ATOM 1314 CA LYS A 87 1.984 -3.713 9.978 1.00 0.00 C ATOM 1315 C LYS A 87 0.764 -2.806 10.101 1.00 0.00 C ATOM 1316 O LYS A 87 0.303 -2.234 9.113 1.00 0.00 O ATOM 1317 CB LYS A 87 3.231 -2.981 10.477 1.00 0.00 C ATOM 1318 CG LYS A 87 4.484 -3.841 10.472 1.00 0.00 C ATOM 1319 CD LYS A 87 5.318 -3.604 9.224 1.00 0.00 C ATOM 1320 CE LYS A 87 6.661 -4.310 9.309 1.00 0.00 C ATOM 1321 NZ LYS A 87 7.719 -3.425 9.873 1.00 0.00 N1+ ATOM 0 H LYS A 87 1.899 -3.447 7.900 1.00 0.00 H new ATOM 0 HA LYS A 87 1.823 -4.599 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.401 -2.103 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.051 -2.622 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.081 -3.621 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.205 -4.893 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.774 -3.959 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.476 -2.534 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.564 -5.201 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.959 -4.644 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.620 -3.943 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.830 -2.587 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.447 -3.126 10.831 1.00 0.00 H new ATOM 1335 N GLU A 88 0.244 -2.679 11.317 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.925 -1.841 11.562 1.00 0.00 C ATOM 1337 C GLU A 88 -0.672 -0.866 12.707 1.00 0.00 C ATOM 1338 O GLU A 88 -0.070 -1.224 13.720 1.00 0.00 O ATOM 1339 CB GLU A 88 -2.143 -2.711 11.879 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.851 -3.832 12.863 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.359 -5.093 12.181 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.885 -4.999 11.029 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.447 -6.175 12.799 1.00 0.00 O1- ATOM 0 H GLU A 88 0.612 -3.144 12.147 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.121 -1.265 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.934 -2.080 12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.522 -3.142 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.102 -3.495 13.580 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.755 -4.058 13.429 1.00 0.00 H new ATOM 1350 N GLN A 89 -1.138 0.367 12.539 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.968 1.397 13.558 1.00 0.00 C ATOM 1352 C GLN A 89 -2.184 2.317 13.607 1.00 0.00 C ATOM 1353 O GLN A 89 -2.861 2.522 12.598 1.00 0.00 O ATOM 1354 CB GLN A 89 0.296 2.214 13.286 1.00 0.00 C ATOM 1355 CG GLN A 89 0.440 2.654 11.839 1.00 0.00 C ATOM 1356 CD GLN A 89 1.886 2.880 11.441 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.344 4.018 11.342 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.612 1.792 11.211 1.00 0.00 N ATOM 0 H GLN A 89 -1.637 0.678 11.706 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.868 0.903 14.525 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.292 3.096 13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.168 1.622 13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.001 1.898 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.124 3.574 11.685 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.190 0.868 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.591 1.880 10.940 1.00 0.00 H new ATOM 1367 N VAL A 90 -2.458 2.866 14.786 1.00 0.00 N ATOM 1368 CA VAL A 90 -3.596 3.759 14.965 1.00 0.00 C ATOM 1369 C VAL A 90 -3.158 5.220 14.990 1.00 0.00 C ATOM 1370 O VAL A 90 -2.287 5.606 15.769 1.00 0.00 O ATOM 1371 CB VAL A 90 -4.360 3.443 16.264 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -5.656 4.237 16.327 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -4.635 1.951 16.372 1.00 0.00 C ATOM 0 H VAL A 90 -1.908 2.708 15.630 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.257 3.597 14.113 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.739 3.737 17.110 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.183 4.001 17.252 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.431 5.303 16.299 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.284 3.976 15.475 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.176 1.747 17.296 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.236 1.629 15.521 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.691 1.406 16.376 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.774 6.026 14.132 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.460 7.448 14.048 1.00 0.00 C ATOM 1385 C VAL A 91 -4.567 8.201 13.318 1.00 0.00 C ATOM 1386 O VAL A 91 -4.613 8.218 12.088 1.00 0.00 O ATOM 1387 CB VAL A 91 -2.122 7.694 13.322 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.952 7.460 14.264 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -2.008 6.808 12.090 1.00 0.00 C ATOM 0 H VAL A 91 -4.497 5.717 13.482 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.376 7.817 15.070 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.095 8.734 12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.017 7.638 13.734 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.025 8.142 15.111 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.975 6.431 14.624 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.057 6.997 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.059 5.761 12.389 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.826 7.030 11.405 1.00 0.00 H new ATOM 1399 N SER A 92 -5.465 8.812 14.084 1.00 0.00 N ATOM 1400 CA SER A 92 -6.579 9.554 13.506 1.00 0.00 C ATOM 1401 C SER A 92 -7.464 8.630 12.674 1.00 0.00 C ATOM 1402 O SER A 92 -8.146 9.071 11.749 1.00 0.00 O ATOM 1403 CB SER A 92 -6.062 10.704 12.639 1.00 0.00 C ATOM 1404 OG SER A 92 -5.061 11.444 13.317 1.00 0.00 O ATOM 0 H SER A 92 -5.443 8.808 15.104 1.00 0.00 H new ATOM 0 HA SER A 92 -7.174 9.967 14.321 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.658 10.308 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.888 11.363 12.373 1.00 0.00 H new ATOM 0 HG SER A 92 -4.746 12.172 12.741 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.442 7.343 13.009 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.237 6.370 12.287 1.00 0.00 C ATOM 1412 C GLY A 93 -7.551 5.020 12.207 1.00 0.00 C ATOM 1413 O GLY A 93 -7.427 4.320 13.212 1.00 0.00 O ATOM 0 H GLY A 93 -6.885 6.957 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.204 6.256 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.432 6.737 11.280 1.00 0.00 H new ATOM 1417 N MET A 94 -7.101 4.656 11.011 1.00 0.00 N ATOM 1418 CA MET A 94 -6.419 3.384 10.807 1.00 0.00 C ATOM 1419 C MET A 94 -5.379 3.499 9.697 1.00 0.00 C ATOM 1420 O MET A 94 -5.720 3.719 8.535 1.00 0.00 O ATOM 1421 CB MET A 94 -7.430 2.288 10.464 1.00 0.00 C ATOM 1422 CG MET A 94 -8.311 1.886 11.635 1.00 0.00 C ATOM 1423 SD MET A 94 -7.444 0.857 12.836 1.00 0.00 S ATOM 1424 CE MET A 94 -7.662 1.823 14.329 1.00 0.00 C ATOM 0 H MET A 94 -7.196 5.224 10.169 1.00 0.00 H new ATOM 0 HA MET A 94 -5.909 3.120 11.733 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.062 2.632 9.645 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.894 1.410 10.105 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.681 2.783 12.131 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.181 1.347 11.261 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.651 1.161 15.195 1.00 0.00 H new ATOM 0 HE2 MET A 94 -6.852 2.547 14.415 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.616 2.349 14.286 1.00 0.00 H new ATOM 1434 N MET A 95 -4.109 3.349 10.062 1.00 0.00 N ATOM 1435 CA MET A 95 -3.022 3.435 9.093 1.00 0.00 C ATOM 1436 C MET A 95 -2.318 2.089 8.949 1.00 0.00 C ATOM 1437 O MET A 95 -1.937 1.468 9.942 1.00 0.00 O ATOM 1438 CB MET A 95 -2.018 4.511 9.512 1.00 0.00 C ATOM 1439 CG MET A 95 -1.569 5.400 8.364 1.00 0.00 C ATOM 1440 SD MET A 95 -0.594 6.813 8.918 1.00 0.00 S ATOM 1441 CE MET A 95 -1.854 8.082 8.999 1.00 0.00 C ATOM 0 H MET A 95 -3.808 3.168 11.020 1.00 0.00 H new ATOM 0 HA MET A 95 -3.448 3.707 8.127 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.465 5.132 10.288 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.144 4.030 9.952 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.980 4.810 7.662 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.445 5.758 7.823 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.492 8.916 9.600 1.00 0.00 H new ATOM 0 HE2 MET A 95 -2.083 8.432 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.755 7.671 9.454 1.00 0.00 H new ATOM 1451 N HIS A 96 -2.151 1.643 7.709 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.497 0.368 7.437 1.00 0.00 C ATOM 1453 C HIS A 96 -0.140 0.576 6.772 1.00 0.00 C ATOM 1454 O HIS A 96 -0.038 1.230 5.734 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.385 -0.504 6.547 1.00 0.00 C ATOM 1456 CG HIS A 96 -2.270 -1.968 6.838 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -2.957 -2.589 7.860 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.541 -2.937 6.234 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -2.657 -3.875 7.872 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.800 -4.112 6.896 1.00 0.00 N ATOM 0 H HIS A 96 -2.459 2.145 6.876 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.337 -0.137 8.390 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.423 -0.197 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.124 -0.328 5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.880 -2.809 5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.046 -4.608 8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.396 -5.021 6.670 1.00 0.00 H new ATOM 1469 N TYR A 97 0.898 0.007 7.376 1.00 0.00 N ATOM 1470 CA TYR A 97 2.253 0.119 6.846 1.00 0.00 C ATOM 1471 C TYR A 97 2.749 -1.241 6.369 1.00 0.00 C ATOM 1472 O TYR A 97 3.135 -2.085 7.177 1.00 0.00 O ATOM 1473 CB TYR A 97 3.200 0.668 7.915 1.00 0.00 C ATOM 1474 CG TYR A 97 3.038 2.149 8.175 1.00 0.00 C ATOM 1475 CD1 TYR A 97 1.790 2.695 8.452 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.134 3.001 8.147 1.00 0.00 C ATOM 1477 CE1 TYR A 97 1.641 4.047 8.692 1.00 0.00 C ATOM 1478 CE2 TYR A 97 3.993 4.354 8.387 1.00 0.00 C ATOM 1479 CZ TYR A 97 2.745 4.872 8.659 1.00 0.00 C ATOM 1480 OH TYR A 97 2.600 6.220 8.898 1.00 0.00 O ATOM 0 H TYR A 97 0.827 -0.538 8.235 1.00 0.00 H new ATOM 0 HA TYR A 97 2.235 0.807 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.035 0.125 8.846 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.228 0.473 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.923 2.052 8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.113 2.599 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.664 4.456 8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.856 5.003 8.362 1.00 0.00 H new ATOM 0 HH TYR A 97 3.484 6.632 8.996 1.00 0.00 H new ATOM 1490 N LEU A 98 2.734 -1.455 5.057 1.00 0.00 N ATOM 1491 CA LEU A 98 3.181 -2.726 4.496 1.00 0.00 C ATOM 1492 C LEU A 98 4.192 -2.518 3.375 1.00 0.00 C ATOM 1493 O LEU A 98 4.068 -1.593 2.572 1.00 0.00 O ATOM 1494 CB LEU A 98 1.989 -3.539 3.982 1.00 0.00 C ATOM 1495 CG LEU A 98 0.861 -2.725 3.345 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.390 -1.878 2.199 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.244 -3.649 2.859 1.00 0.00 C ATOM 0 H LEU A 98 2.420 -0.772 4.368 1.00 0.00 H new ATOM 0 HA LEU A 98 3.671 -3.281 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.352 -4.259 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.576 -4.111 4.813 1.00 0.00 H new ATOM 0 HG LEU A 98 0.449 -2.056 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.571 -1.307 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.150 -1.193 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.828 -2.526 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.041 -3.058 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.159 -4.340 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.644 -4.213 3.702 1.00 0.00 H new ATOM 1509 N THR A 99 5.191 -3.392 3.327 1.00 0.00 N ATOM 1510 CA THR A 99 6.226 -3.320 2.305 1.00 0.00 C ATOM 1511 C THR A 99 6.013 -4.401 1.254 1.00 0.00 C ATOM 1512 O THR A 99 5.681 -5.540 1.583 1.00 0.00 O ATOM 1513 CB THR A 99 7.609 -3.472 2.940 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.621 -2.938 4.251 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.707 -2.787 2.155 1.00 0.00 C ATOM 0 H THR A 99 5.305 -4.161 3.987 1.00 0.00 H new ATOM 0 HA THR A 99 6.165 -2.345 1.821 1.00 0.00 H new ATOM 0 HB THR A 99 7.806 -4.544 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.514 -3.047 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.662 -2.934 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.758 -3.213 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.494 -1.720 2.086 1.00 0.00 H new ATOM 1523 N VAL A 100 6.199 -4.042 -0.012 1.00 0.00 N ATOM 1524 CA VAL A 100 6.017 -4.992 -1.102 1.00 0.00 C ATOM 1525 C VAL A 100 7.128 -4.868 -2.141 1.00 0.00 C ATOM 1526 O VAL A 100 7.822 -3.853 -2.207 1.00 0.00 O ATOM 1527 CB VAL A 100 4.644 -4.804 -1.788 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.544 -4.648 -0.748 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.660 -3.608 -2.732 1.00 0.00 C ATOM 0 H VAL A 100 6.474 -3.105 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 100 6.058 -5.989 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 100 4.439 -5.696 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.585 -4.517 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.507 -5.539 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.751 -3.776 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.681 -3.501 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.895 -2.704 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.415 -3.763 -3.502 1.00 0.00 H new ATOM 1539 N GLU A 101 7.285 -5.907 -2.954 1.00 0.00 N ATOM 1540 CA GLU A 101 8.304 -5.915 -3.996 1.00 0.00 C ATOM 1541 C GLU A 101 7.747 -5.326 -5.286 1.00 0.00 C ATOM 1542 O GLU A 101 6.638 -5.659 -5.703 1.00 0.00 O ATOM 1543 CB GLU A 101 8.803 -7.340 -4.242 1.00 0.00 C ATOM 1544 CG GLU A 101 10.008 -7.717 -3.396 1.00 0.00 C ATOM 1545 CD GLU A 101 10.248 -9.214 -3.358 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.372 -9.943 -2.848 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.313 -9.656 -3.837 1.00 0.00 O ATOM 0 H GLU A 101 6.719 -6.755 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 101 9.142 -5.303 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.993 -8.040 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.061 -7.449 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.894 -7.221 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.863 -7.350 -2.380 1.00 0.00 H new ATOM 1554 N VAL A 102 8.516 -4.441 -5.909 1.00 0.00 N ATOM 1555 CA VAL A 102 8.087 -3.799 -7.145 1.00 0.00 C ATOM 1556 C VAL A 102 9.144 -3.920 -8.237 1.00 0.00 C ATOM 1557 O VAL A 102 10.343 -3.844 -7.969 1.00 0.00 O ATOM 1558 CB VAL A 102 7.772 -2.309 -6.917 1.00 0.00 C ATOM 1559 CG1 VAL A 102 7.091 -1.711 -8.139 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.912 -2.128 -5.675 1.00 0.00 C ATOM 0 H VAL A 102 9.437 -4.152 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 102 7.183 -4.316 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 102 8.712 -1.779 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.877 -0.658 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.748 -1.804 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.159 -2.242 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.700 -1.069 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.976 -2.672 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.444 -2.514 -4.805 1.00 0.00 H new ATOM 1570 N ASN A 103 8.684 -4.103 -9.471 1.00 0.00 N ATOM 1571 CA ASN A 103 9.578 -4.229 -10.615 1.00 0.00 C ATOM 1572 C ASN A 103 9.309 -3.122 -11.629 1.00 0.00 C ATOM 1573 O ASN A 103 8.185 -2.627 -11.740 1.00 0.00 O ATOM 1574 CB ASN A 103 9.404 -5.597 -11.276 1.00 0.00 C ATOM 1575 CG ASN A 103 10.461 -5.869 -12.328 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.553 -5.161 -13.331 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.266 -6.901 -12.104 1.00 0.00 N ATOM 0 H ASN A 103 7.693 -4.167 -9.704 1.00 0.00 H new ATOM 0 HA ASN A 103 10.604 -4.136 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.446 -6.374 -10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.416 -5.653 -11.734 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.996 -7.134 -12.777 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.154 -7.461 -11.259 1.00 0.00 H new ATOM 1584 N ASP A 104 10.345 -2.735 -12.367 1.00 0.00 N ATOM 1585 CA ASP A 104 10.217 -1.684 -13.371 1.00 0.00 C ATOM 1586 C ASP A 104 11.199 -1.900 -14.517 1.00 0.00 C ATOM 1587 O ASP A 104 12.404 -1.696 -14.363 1.00 0.00 O ATOM 1588 CB ASP A 104 10.452 -0.313 -12.735 1.00 0.00 C ATOM 1589 CG ASP A 104 9.687 0.790 -13.440 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.502 0.574 -13.769 1.00 0.00 O ATOM 1591 OD2 ASP A 104 10.274 1.870 -13.662 1.00 0.00 O1- ATOM 0 H ASP A 104 11.281 -3.133 -12.289 1.00 0.00 H new ATOM 0 HA ASP A 104 9.205 -1.723 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.154 -0.346 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.517 -0.083 -12.756 1.00 0.00 H new ATOM 1596 N ALA A 105 10.677 -2.312 -15.668 1.00 0.00 N ATOM 1597 CA ALA A 105 11.506 -2.554 -16.844 1.00 0.00 C ATOM 1598 C ALA A 105 12.620 -3.551 -16.539 1.00 0.00 C ATOM 1599 O ALA A 105 13.696 -3.496 -17.134 1.00 0.00 O ATOM 1600 CB ALA A 105 12.092 -1.246 -17.352 1.00 0.00 C ATOM 0 H ALA A 105 9.682 -2.486 -15.812 1.00 0.00 H new ATOM 0 HA ALA A 105 10.874 -2.985 -17.620 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.709 -1.440 -18.230 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.284 -0.565 -17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.704 -0.794 -16.571 1.00 0.00 H new ATOM 1606 N GLY A 106 12.354 -4.461 -15.608 1.00 0.00 N ATOM 1607 CA GLY A 106 13.344 -5.457 -15.241 1.00 0.00 C ATOM 1608 C GLY A 106 13.965 -5.185 -13.886 1.00 0.00 C ATOM 1609 O GLY A 106 14.400 -6.110 -13.199 1.00 0.00 O ATOM 0 H GLY A 106 11.471 -4.527 -15.101 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.878 -6.442 -15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.128 -5.482 -15.998 1.00 0.00 H new ATOM 1613 N LYS A 107 14.007 -3.914 -13.499 1.00 0.00 N ATOM 1614 CA LYS A 107 14.580 -3.526 -12.215 1.00 0.00 C ATOM 1615 C LYS A 107 13.675 -3.955 -11.065 1.00 0.00 C ATOM 1616 O LYS A 107 12.595 -3.400 -10.872 1.00 0.00 O ATOM 1617 CB LYS A 107 14.800 -2.012 -12.169 1.00 0.00 C ATOM 1618 CG LYS A 107 16.130 -1.573 -12.759 1.00 0.00 C ATOM 1619 CD LYS A 107 17.186 -1.393 -11.681 1.00 0.00 C ATOM 1620 CE LYS A 107 17.279 0.055 -11.229 1.00 0.00 C ATOM 1621 NZ LYS A 107 18.182 0.854 -12.104 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.652 -3.136 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 107 15.540 -4.030 -12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.992 -1.519 -12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.743 -1.676 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.470 -2.314 -13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.998 -0.636 -13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.948 -2.027 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.154 -1.720 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 107 16.284 0.500 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.643 0.092 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.218 1.835 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.138 0.445 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.822 0.840 -13.079 1.00 0.00 H new ATOM 1635 N LYS A 108 14.125 -4.948 -10.306 1.00 0.00 N ATOM 1636 CA LYS A 108 13.357 -5.455 -9.174 1.00 0.00 C ATOM 1637 C LYS A 108 13.901 -4.907 -7.859 1.00 0.00 C ATOM 1638 O LYS A 108 15.114 -4.852 -7.653 1.00 0.00 O ATOM 1639 CB LYS A 108 13.390 -6.985 -9.156 1.00 0.00 C ATOM 1640 CG LYS A 108 12.608 -7.599 -8.006 1.00 0.00 C ATOM 1641 CD LYS A 108 11.228 -8.056 -8.451 1.00 0.00 C ATOM 1642 CE LYS A 108 10.312 -8.295 -7.263 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.234 -9.738 -6.903 1.00 0.00 N1+ ATOM 0 H LYS A 108 15.018 -5.418 -10.454 1.00 0.00 H new ATOM 0 HA LYS A 108 12.325 -5.121 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.989 -7.359 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.427 -7.317 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.160 -8.447 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.509 -6.870 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.788 -7.304 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.317 -8.973 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.673 -7.726 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.313 -7.924 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.802 -9.838 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.655 -10.240 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.191 -10.145 -6.889 1.00 0.00 H new ATOM 1657 N LYS A 109 12.998 -4.503 -6.970 1.00 0.00 N ATOM 1658 CA LYS A 109 13.393 -3.961 -5.676 1.00 0.00 C ATOM 1659 C LYS A 109 12.249 -4.046 -4.671 1.00 0.00 C ATOM 1660 O LYS A 109 11.132 -4.434 -5.016 1.00 0.00 O ATOM 1661 CB LYS A 109 13.848 -2.508 -5.826 1.00 0.00 C ATOM 1662 CG LYS A 109 15.330 -2.362 -6.128 1.00 0.00 C ATOM 1663 CD LYS A 109 15.883 -1.054 -5.586 1.00 0.00 C ATOM 1664 CE LYS A 109 17.381 -0.944 -5.817 1.00 0.00 C ATOM 1665 NZ LYS A 109 18.159 -1.329 -4.607 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.990 -4.541 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 109 14.223 -4.560 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.275 -2.037 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.618 -1.968 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.876 -3.198 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.489 -2.407 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.377 -0.217 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.672 -0.983 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.668 -1.584 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.631 0.079 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 19.118 -1.618 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.218 -0.517 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.685 -2.121 -4.127 1.00 0.00 H new ATOM 1679 N LEU A 110 12.536 -3.676 -3.427 1.00 0.00 N ATOM 1680 CA LEU A 110 11.536 -3.706 -2.366 1.00 0.00 C ATOM 1681 C LEU A 110 11.223 -2.292 -1.885 1.00 0.00 C ATOM 1682 O LEU A 110 12.108 -1.578 -1.413 1.00 0.00 O ATOM 1683 CB LEU A 110 12.029 -4.566 -1.198 1.00 0.00 C ATOM 1684 CG LEU A 110 11.223 -4.440 0.098 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.738 -4.617 -0.175 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.703 -5.456 1.124 1.00 0.00 C ATOM 0 H LEU A 110 13.456 -3.351 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 110 10.622 -4.146 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.022 -5.610 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.066 -4.303 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 110 11.379 -3.440 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.183 -4.524 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.403 -3.851 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.562 -5.603 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.120 -5.353 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.578 -6.463 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.756 -5.281 1.344 1.00 0.00 H new ATOM 1698 N TYR A 111 9.961 -1.893 -2.008 1.00 0.00 N ATOM 1699 CA TYR A 111 9.537 -0.563 -1.588 1.00 0.00 C ATOM 1700 C TYR A 111 8.450 -0.644 -0.520 1.00 0.00 C ATOM 1701 O TYR A 111 7.570 -1.503 -0.579 1.00 0.00 O ATOM 1702 CB TYR A 111 9.031 0.236 -2.791 1.00 0.00 C ATOM 1703 CG TYR A 111 9.942 0.169 -3.998 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.323 0.092 -3.853 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.420 0.185 -5.285 1.00 0.00 C ATOM 1706 CE1 TYR A 111 12.155 0.032 -4.955 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.246 0.125 -6.392 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.611 0.049 -6.221 1.00 0.00 C ATOM 1709 OH TYR A 111 12.436 -0.010 -7.321 1.00 0.00 O ATOM 0 H TYR A 111 9.215 -2.471 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 111 10.400 -0.054 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 111 8.045 -0.134 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.909 1.279 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.753 0.079 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.351 0.245 -5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.225 -0.028 -4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.823 0.138 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 111 11.894 0.011 -8.138 1.00 0.00 H new ATOM 1719 N GLU A 112 8.518 0.258 0.454 1.00 0.00 N ATOM 1720 CA GLU A 112 7.541 0.294 1.536 1.00 0.00 C ATOM 1721 C GLU A 112 6.410 1.265 1.216 1.00 0.00 C ATOM 1722 O GLU A 112 6.630 2.307 0.597 1.00 0.00 O ATOM 1723 CB GLU A 112 8.218 0.695 2.849 1.00 0.00 C ATOM 1724 CG GLU A 112 7.626 0.012 4.071 1.00 0.00 C ATOM 1725 CD GLU A 112 6.745 0.937 4.887 1.00 0.00 C ATOM 1726 OE1 GLU A 112 5.799 1.515 4.311 1.00 0.00 O ATOM 1727 OE2 GLU A 112 7.000 1.083 6.101 1.00 0.00 O1- ATOM 0 H GLU A 112 9.241 0.975 0.516 1.00 0.00 H new ATOM 0 HA GLU A 112 7.118 -0.705 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.280 0.457 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.140 1.775 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.043 -0.852 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.434 -0.363 4.700 1.00 0.00 H new ATOM 1734 N ALA A 113 5.199 0.918 1.640 1.00 0.00 N ATOM 1735 CA ALA A 113 4.035 1.760 1.396 1.00 0.00 C ATOM 1736 C ALA A 113 3.154 1.860 2.637 1.00 0.00 C ATOM 1737 O ALA A 113 2.887 0.859 3.305 1.00 0.00 O ATOM 1738 CB ALA A 113 3.233 1.221 0.221 1.00 0.00 C ATOM 0 H ALA A 113 4.999 0.060 2.154 1.00 0.00 H new ATOM 0 HA ALA A 113 4.389 2.762 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.366 1.859 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.858 1.210 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.899 0.207 0.443 1.00 0.00 H new ATOM 1744 N LYS A 114 2.703 3.075 2.939 1.00 0.00 N ATOM 1745 CA LYS A 114 1.847 3.304 4.098 1.00 0.00 C ATOM 1746 C LYS A 114 0.543 3.981 3.687 1.00 0.00 C ATOM 1747 O LYS A 114 0.551 5.072 3.118 1.00 0.00 O ATOM 1748 CB LYS A 114 2.572 4.155 5.142 1.00 0.00 C ATOM 1749 CG LYS A 114 3.105 5.464 4.591 1.00 0.00 C ATOM 1750 CD LYS A 114 4.364 5.906 5.321 1.00 0.00 C ATOM 1751 CE LYS A 114 5.576 5.100 4.881 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.449 4.737 6.031 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.916 3.913 2.398 1.00 0.00 H new ATOM 0 HA LYS A 114 1.610 2.335 4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.889 4.367 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.400 3.580 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.320 5.352 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.341 6.236 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.542 6.965 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.221 5.793 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.245 4.193 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.151 5.676 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.077 3.955 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.022 5.561 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.859 4.442 6.835 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.574 3.323 3.978 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.889 3.856 3.639 1.00 0.00 C ATOM 1768 C VAL A 115 -2.658 4.258 4.893 1.00 0.00 C ATOM 1769 O VAL A 115 -2.472 3.675 5.960 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.723 2.832 2.846 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.001 3.471 2.326 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.906 2.250 1.702 1.00 0.00 C ATOM 0 H VAL A 115 -0.595 2.418 4.449 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.723 4.737 3.019 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.999 2.018 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.577 2.732 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.594 3.835 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.750 4.305 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.511 1.529 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.598 3.051 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.023 1.752 2.102 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.522 5.260 4.757 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.318 5.740 5.882 1.00 0.00 C ATOM 1784 C TRP A 116 -5.808 5.690 5.559 1.00 0.00 C ATOM 1785 O TRP A 116 -6.219 5.953 4.428 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.911 7.168 6.249 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.640 7.708 7.442 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.789 7.102 8.657 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.323 8.964 7.532 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.520 7.906 9.498 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.859 9.054 8.831 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.531 10.021 6.642 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.590 10.160 9.259 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.257 11.118 7.068 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.779 11.180 8.367 1.00 0.00 C ATOM 0 H TRP A 116 -3.689 5.754 3.881 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.129 5.085 6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.839 7.193 6.446 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.094 7.820 5.395 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.391 6.133 8.918 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.770 7.684 10.462 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.132 9.982 5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.993 10.210 10.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.424 11.941 6.388 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.342 12.050 8.670 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.610 5.352 6.565 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.057 5.266 6.400 1.00 0.00 C ATOM 1808 C GLU A 117 -8.766 5.528 7.726 1.00 0.00 C ATOM 1809 O GLU A 117 -8.496 4.864 8.727 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.448 3.889 5.859 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.949 3.689 5.722 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.530 2.848 6.841 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -10.556 1.607 6.699 1.00 0.00 O ATOM 1814 OE2 GLU A 117 -10.960 3.429 7.859 1.00 0.00 O1- ATOM 0 H GLU A 117 -6.281 5.133 7.505 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.366 6.028 5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.981 3.745 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.047 3.121 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.442 4.661 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.162 3.212 4.766 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.672 6.500 7.727 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.416 6.851 8.929 1.00 0.00 C ATOM 1823 C GLN A 118 -11.813 6.239 8.905 1.00 0.00 C ATOM 1824 O GLN A 118 -12.222 5.638 7.912 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.520 8.371 9.063 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.292 9.118 8.565 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.373 9.453 7.089 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.202 10.260 6.668 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.510 8.833 6.293 1.00 0.00 N ATOM 0 H GLN A 118 -9.908 7.059 6.907 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.877 6.450 9.787 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.393 8.716 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.687 8.623 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.174 10.038 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.404 8.513 8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.840 8.171 6.684 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.517 9.018 5.290 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.541 6.400 10.005 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.894 5.869 10.113 1.00 0.00 C ATOM 1840 C VAL A 119 -14.911 6.996 10.276 1.00 0.00 C ATOM 1841 O VAL A 119 -16.008 6.942 9.720 1.00 0.00 O ATOM 1842 CB VAL A 119 -14.022 4.895 11.301 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.721 5.603 12.613 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.408 4.265 11.332 1.00 0.00 C ATOM 0 H VAL A 119 -12.216 6.895 10.835 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.100 5.328 9.189 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.289 4.099 11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.817 4.897 13.438 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.705 5.997 12.589 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.425 6.423 12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.478 3.581 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.161 5.047 11.434 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.579 3.716 10.406 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.535 8.018 11.038 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.409 9.161 11.274 1.00 0.00 C ATOM 1856 C TRP A 120 -15.327 10.160 10.122 1.00 0.00 C ATOM 1857 O TRP A 120 -16.233 10.971 9.927 1.00 0.00 O ATOM 1858 CB TRP A 120 -15.034 9.851 12.586 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.590 10.243 12.657 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -13.028 11.392 12.181 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.523 9.482 13.235 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.676 11.394 12.429 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.342 10.232 13.075 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.452 8.241 13.873 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -10.107 9.780 13.530 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.224 7.794 14.324 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -10.066 8.562 14.151 1.00 0.00 C ATOM 0 H TRP A 120 -13.629 8.078 11.503 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.433 8.794 11.340 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.651 10.741 12.710 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.264 9.185 13.418 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.567 12.184 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -11.027 12.139 12.174 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.340 7.642 14.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.212 10.370 13.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -11.157 6.836 14.818 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.122 8.185 14.515 1.00 0.00 H new ATOM 1878 N MET A 121 -14.239 10.096 9.360 1.00 0.00 N ATOM 1879 CA MET A 121 -14.043 10.993 8.228 1.00 0.00 C ATOM 1880 C MET A 121 -14.457 10.315 6.926 1.00 0.00 C ATOM 1881 O MET A 121 -14.808 10.980 5.951 1.00 0.00 O ATOM 1882 CB MET A 121 -12.580 11.434 8.146 1.00 0.00 C ATOM 1883 CG MET A 121 -12.293 12.382 6.992 1.00 0.00 C ATOM 1884 SD MET A 121 -11.338 13.827 7.496 1.00 0.00 S ATOM 1885 CE MET A 121 -10.138 13.919 6.171 1.00 0.00 C ATOM 0 H MET A 121 -13.479 9.431 9.507 1.00 0.00 H new ATOM 0 HA MET A 121 -14.670 11.872 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.303 11.920 9.082 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.948 10.551 8.046 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.749 11.846 6.214 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.236 12.710 6.554 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.473 14.766 6.341 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.554 12.999 6.144 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.655 14.049 5.220 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.413 8.986 6.919 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.783 8.213 5.741 1.00 0.00 C ATOM 1897 C ASN A 122 -13.857 8.528 4.570 1.00 0.00 C ATOM 1898 O ASN A 122 -14.312 8.804 3.460 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.236 8.496 5.353 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.214 7.594 6.079 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -18.046 6.933 5.457 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -17.120 7.562 7.403 1.00 0.00 N ATOM 0 H ASN A 122 -14.124 8.422 7.718 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.681 7.155 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.472 9.537 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.354 8.364 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.752 6.973 7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -16.415 8.126 7.878 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.554 8.485 4.827 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.562 8.766 3.796 1.00 0.00 C ATOM 1911 C PHE A 123 -10.413 7.765 3.860 1.00 0.00 C ATOM 1912 O PHE A 123 -10.070 7.266 4.932 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.025 10.190 3.950 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.864 10.916 2.645 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -9.891 10.528 1.737 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.685 11.986 2.326 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.740 11.194 0.536 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.539 12.656 1.127 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.565 12.259 0.230 1.00 0.00 C ATOM 0 H PHE A 123 -12.160 8.258 5.740 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.047 8.672 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.701 10.757 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -10.061 10.153 4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.244 9.696 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.448 12.300 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.978 10.882 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.185 13.489 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.449 12.781 -0.709 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.820 7.479 2.706 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.706 6.540 2.630 1.00 0.00 C ATOM 1931 C ARG A 124 -7.819 6.846 1.429 1.00 0.00 C ATOM 1932 O ARG A 124 -8.306 7.022 0.312 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.216 5.096 2.552 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.571 4.954 1.877 1.00 0.00 C ATOM 1935 CD ARG A 124 -10.544 5.498 0.459 1.00 0.00 C ATOM 1936 NE ARG A 124 -11.732 5.114 -0.299 1.00 0.00 N ATOM 1937 CZ ARG A 124 -11.861 5.286 -1.613 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -10.879 5.835 -2.317 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -12.975 4.908 -2.224 1.00 0.00 N ATOM 0 H ARG A 124 -10.092 7.884 1.810 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.113 6.652 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.487 4.493 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.280 4.689 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.862 3.904 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -11.326 5.485 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.470 6.585 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.654 5.132 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 124 -12.508 4.689 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.020 6.128 -1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.983 5.964 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.733 4.486 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.074 5.040 -3.231 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.512 6.913 1.664 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.562 7.202 0.596 1.00 0.00 C ATOM 1955 C GLN A 125 -4.143 6.815 1.001 1.00 0.00 C ATOM 1956 O GLN A 125 -3.895 6.427 2.143 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.611 8.687 0.231 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.623 9.610 1.438 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.598 11.076 1.050 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -5.929 11.437 -0.079 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -5.204 11.929 1.988 1.00 0.00 N ATOM 0 H GLN A 125 -6.088 6.772 2.581 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.844 6.608 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -4.750 8.928 -0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.501 8.876 -0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.513 9.411 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.761 9.390 2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.938 11.585 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -5.167 12.928 1.786 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.216 6.926 0.055 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.819 6.592 0.308 1.00 0.00 C ATOM 1972 C LEU A 126 -1.109 7.741 1.018 1.00 0.00 C ATOM 1973 O LEU A 126 -1.256 8.903 0.639 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.106 6.267 -1.008 1.00 0.00 C ATOM 1975 CG LEU A 126 0.413 6.089 -0.900 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.844 4.769 -1.519 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.136 7.251 -1.564 1.00 0.00 C ATOM 0 H LEU A 126 -3.407 7.245 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.788 5.715 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.535 5.353 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.313 7.065 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 126 0.681 6.075 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.925 4.662 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.355 3.946 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.561 4.751 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.213 7.107 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.860 7.297 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.854 8.183 -1.074 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.341 7.408 2.049 1.00 0.00 N ATOM 1990 CA GLN A 127 0.389 8.413 2.812 1.00 0.00 C ATOM 1991 C GLN A 127 1.774 8.649 2.218 1.00 0.00 C ATOM 1992 O GLN A 127 2.081 9.748 1.756 1.00 0.00 O ATOM 1993 CB GLN A 127 0.509 7.985 4.277 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.490 8.670 5.199 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.896 8.698 4.627 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.618 9.683 4.775 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.291 7.613 3.970 1.00 0.00 N ATOM 0 H GLN A 127 -0.208 6.451 2.375 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.169 9.348 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.370 6.906 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.519 8.199 4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.504 8.155 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.160 9.691 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.659 6.818 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.226 7.575 3.564 1.00 0.00 H new ATOM 2006 N GLU A 128 2.608 7.614 2.235 1.00 0.00 N ATOM 2007 CA GLU A 128 3.960 7.720 1.699 1.00 0.00 C ATOM 2008 C GLU A 128 4.414 6.404 1.073 1.00 0.00 C ATOM 2009 O GLU A 128 3.905 5.331 1.407 1.00 0.00 O ATOM 2010 CB GLU A 128 4.945 8.135 2.796 1.00 0.00 C ATOM 2011 CG GLU A 128 4.368 9.116 3.806 1.00 0.00 C ATOM 2012 CD GLU A 128 4.240 10.519 3.248 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.186 10.980 2.575 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.193 11.158 3.483 1.00 0.00 O1- ATOM 0 H GLU A 128 2.373 6.696 2.612 1.00 0.00 H new ATOM 0 HA GLU A 128 3.945 8.485 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.283 7.243 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.824 8.582 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.387 8.766 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.004 9.137 4.691 1.00 0.00 H new ATOM 2021 N PHE A 129 5.384 6.502 0.169 1.00 0.00 N ATOM 2022 CA PHE A 129 5.929 5.333 -0.512 1.00 0.00 C ATOM 2023 C PHE A 129 7.450 5.428 -0.589 1.00 0.00 C ATOM 2024 O PHE A 129 7.993 6.220 -1.360 1.00 0.00 O ATOM 2025 CB PHE A 129 5.340 5.215 -1.919 1.00 0.00 C ATOM 2026 CG PHE A 129 5.303 3.806 -2.441 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.422 3.242 -3.033 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.147 3.047 -2.343 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.389 1.948 -3.516 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.109 1.753 -2.824 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.231 1.202 -3.412 1.00 0.00 C ATOM 0 H PHE A 129 5.811 7.385 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 129 5.660 4.443 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.327 5.618 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.926 5.831 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.330 3.821 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.266 3.473 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.268 1.520 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.202 1.172 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.203 0.190 -3.789 1.00 0.00 H new ATOM 2041 N THR A 130 8.133 4.624 0.219 1.00 0.00 N ATOM 2042 CA THR A 130 9.592 4.628 0.244 1.00 0.00 C ATOM 2043 C THR A 130 10.156 3.484 -0.589 1.00 0.00 C ATOM 2044 O THR A 130 9.523 2.441 -0.737 1.00 0.00 O ATOM 2045 CB THR A 130 10.097 4.523 1.684 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.959 3.199 2.169 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.370 5.441 2.644 1.00 0.00 C ATOM 0 H THR A 130 7.701 3.962 0.864 1.00 0.00 H new ATOM 0 HA THR A 130 9.934 5.568 -0.188 1.00 0.00 H new ATOM 0 HB THR A 130 11.144 4.823 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.289 3.152 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.778 5.316 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.499 6.476 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.308 5.194 2.651 1.00 0.00 H new ATOM 2055 N TYR A 131 11.352 3.688 -1.133 1.00 0.00 N ATOM 2056 CA TYR A 131 12.001 2.673 -1.954 1.00 0.00 C ATOM 2057 C TYR A 131 13.229 2.104 -1.249 1.00 0.00 C ATOM 2058 O TYR A 131 14.239 2.789 -1.090 1.00 0.00 O ATOM 2059 CB TYR A 131 12.404 3.262 -3.307 1.00 0.00 C ATOM 2060 CG TYR A 131 13.282 4.489 -3.197 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.728 5.747 -2.995 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.664 4.388 -3.295 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.527 6.870 -2.894 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.469 5.507 -3.194 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.896 6.744 -2.995 1.00 0.00 C ATOM 2066 OH TYR A 131 15.695 7.861 -2.895 1.00 0.00 O ATOM 0 H TYR A 131 11.891 4.547 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 131 11.289 1.863 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.929 2.500 -3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.503 3.519 -3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.656 5.849 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 131 15.116 3.420 -3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.081 7.841 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.542 5.412 -3.271 1.00 0.00 H new ATOM 0 HH TYR A 131 16.635 7.600 -2.986 1.00 0.00 H new ATOM 2076 N LEU A 132 13.133 0.847 -0.828 1.00 0.00 N ATOM 2077 CA LEU A 132 14.235 0.185 -0.140 1.00 0.00 C ATOM 2078 C LEU A 132 15.177 -0.481 -1.139 1.00 0.00 C ATOM 2079 O LEU A 132 15.073 -0.262 -2.346 1.00 0.00 O ATOM 2080 CB LEU A 132 13.700 -0.857 0.846 1.00 0.00 C ATOM 2081 CG LEU A 132 12.400 -0.475 1.557 1.00 0.00 C ATOM 2082 CD1 LEU A 132 12.027 -1.527 2.589 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.532 0.893 2.210 1.00 0.00 C ATOM 0 H LEU A 132 12.303 0.267 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 132 14.792 0.942 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.541 -1.793 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.465 -1.047 1.599 1.00 0.00 H new ATOM 0 HG LEU A 132 11.603 -0.426 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.100 -1.238 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.890 -2.489 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.823 -1.609 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.598 1.149 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.341 0.871 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.751 1.641 1.448 1.00 0.00 H new ATOM 2095 N GLY A 133 16.094 -1.295 -0.628 1.00 0.00 N ATOM 2096 CA GLY A 133 17.040 -1.980 -1.489 1.00 0.00 C ATOM 2097 C GLY A 133 16.398 -3.105 -2.276 1.00 0.00 C ATOM 2098 O GLY A 133 16.063 -2.938 -3.449 1.00 0.00 O ATOM 0 H GLY A 133 16.199 -1.493 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.482 -1.263 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.853 -2.382 -0.884 1.00 0.00 H new ATOM 2102 N ASP A 134 16.225 -4.254 -1.630 1.00 0.00 N ATOM 2103 CA ASP A 134 15.619 -5.411 -2.278 1.00 0.00 C ATOM 2104 C ASP A 134 15.260 -6.482 -1.252 1.00 0.00 C ATOM 2105 O ASP A 134 15.919 -6.614 -0.221 1.00 0.00 O ATOM 2106 CB ASP A 134 16.569 -5.991 -3.326 1.00 0.00 C ATOM 2107 CG ASP A 134 17.874 -6.472 -2.722 1.00 0.00 C ATOM 2108 OD1 ASP A 134 18.694 -5.618 -2.324 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 18.076 -7.702 -2.646 1.00 0.00 O ATOM 0 H ASP A 134 16.496 -4.408 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 134 14.704 -5.083 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.080 -6.821 -3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.779 -5.233 -4.081 1.00 0.00 H new ATOM 2114 N ALA A 135 14.210 -7.243 -1.542 1.00 0.00 N ATOM 2115 CA ALA A 135 13.763 -8.302 -0.646 1.00 0.00 C ATOM 2116 C ALA A 135 14.348 -9.650 -1.054 1.00 0.00 C ATOM 2117 O ALA A 135 15.084 -9.694 -2.062 1.00 0.00 O ATOM 2118 CB ALA A 135 12.244 -8.369 -0.624 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.065 -10.651 -0.362 1.00 0.00 O ATOM 0 H ALA A 135 13.653 -7.146 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 135 14.120 -8.069 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.925 -9.164 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.843 -7.417 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.874 -8.574 -1.629 1.00 0.00 H new TER 2125 ALA A 135