USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1032 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 20 ASN : amide:sc= -2.18 K(o=-4.5,f=-12!) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.36 K(o=-4.5,f=-11!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 160:sc= -0.0921 (180deg=-0.257) USER MOD Set 2.2: A 65 THR OG1 : rot 90:sc= -1.19 USER MOD Set 3.1: A 35 ASN : amide:sc= -1.26 K(o=-1.2,f=-16!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.0438 K(o=-1.2,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0789 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -121:sc= -0.638 (180deg=-1.84) USER MOD Single : A 15 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 19 HIS : no HE2:sc= -9.11! C(o=-9.1!,f=-13!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 159:sc= -0.0819 (180deg=-0.662) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0.419 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -18:sc= -0.0328 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.6) USER MOD Single : A 61 SER OG : rot -130:sc= -1.52 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 69 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.5) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.32) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.00574 X(o=0.0057,f=-0.078) USER MOD Single : A 83 CYS SG : rot -113:sc= -0.965 USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= 0.0738 (180deg=-0.064) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.04 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.4) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00129) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0711 K(o=-0.071,f=-2.9!) USER MOD Single : A 114 LYS NZ :NH3+ 146:sc= -1.29 (180deg=-2.35!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 140:sc= 1.3 (180deg=0.124) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -5.32! C(o=-5.3!,f=-6.3!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 8:sc= 0.441 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.798 -28.710 16.561 1.00 0.00 N ATOM 2 CA GLY A 1 10.395 -29.005 16.340 1.00 0.00 C ATOM 3 C GLY A 1 9.938 -28.636 14.942 1.00 0.00 C ATOM 4 O GLY A 1 10.685 -28.022 14.180 1.00 0.00 O ATOM 0 H1 GLY A 1 12.322 -29.598 16.699 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.181 -28.207 15.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.898 -28.114 17.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.220 -30.068 16.508 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.794 -28.464 17.070 1.00 0.00 H new ATOM 8 N SER A 2 8.709 -29.012 14.604 1.00 0.00 N ATOM 9 CA SER A 2 8.156 -28.721 13.287 1.00 0.00 C ATOM 10 C SER A 2 7.039 -27.685 13.383 1.00 0.00 C ATOM 11 O SER A 2 6.437 -27.502 14.441 1.00 0.00 O ATOM 12 CB SER A 2 7.624 -30.001 12.640 1.00 0.00 C ATOM 13 OG SER A 2 8.670 -30.930 12.413 1.00 0.00 O ATOM 0 H SER A 2 8.077 -29.519 15.224 1.00 0.00 H new ATOM 0 HA SER A 2 8.955 -28.313 12.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.868 -30.450 13.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.136 -29.759 11.696 1.00 0.00 H new ATOM 0 HG SER A 2 8.304 -31.740 12.000 1.00 0.00 H new ATOM 19 N SER A 3 6.770 -27.010 12.270 1.00 0.00 N ATOM 20 CA SER A 3 5.729 -25.990 12.228 1.00 0.00 C ATOM 21 C SER A 3 4.766 -26.243 11.072 1.00 0.00 C ATOM 22 O SER A 3 5.052 -25.902 9.925 1.00 0.00 O ATOM 23 CB SER A 3 6.353 -24.600 12.092 1.00 0.00 C ATOM 24 OG SER A 3 7.327 -24.377 13.097 1.00 0.00 O ATOM 0 H SER A 3 7.258 -27.151 11.386 1.00 0.00 H new ATOM 0 HA SER A 3 5.169 -26.039 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.811 -24.499 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.574 -23.840 12.161 1.00 0.00 H new ATOM 0 HG SER A 3 7.712 -23.482 12.987 1.00 0.00 H new ATOM 30 N GLY A 4 3.622 -26.844 11.383 1.00 0.00 N ATOM 31 CA GLY A 4 2.634 -27.134 10.361 1.00 0.00 C ATOM 32 C GLY A 4 2.462 -25.991 9.380 1.00 0.00 C ATOM 33 O GLY A 4 2.467 -26.199 8.167 1.00 0.00 O ATOM 0 H GLY A 4 3.362 -27.135 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.929 -28.032 9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.677 -27.348 10.836 1.00 0.00 H new ATOM 37 N SER A 5 2.309 -24.780 9.906 1.00 0.00 N ATOM 38 CA SER A 5 2.130 -23.600 9.069 1.00 0.00 C ATOM 39 C SER A 5 3.344 -23.380 8.172 1.00 0.00 C ATOM 40 O SER A 5 4.455 -23.799 8.499 1.00 0.00 O ATOM 41 CB SER A 5 1.893 -22.363 9.937 1.00 0.00 C ATOM 42 OG SER A 5 0.520 -22.219 10.256 1.00 0.00 O ATOM 0 H SER A 5 2.305 -24.590 10.908 1.00 0.00 H new ATOM 0 HA SER A 5 1.257 -23.764 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.476 -22.442 10.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.243 -21.474 9.412 1.00 0.00 H new ATOM 0 HG SER A 5 0.395 -21.422 10.813 1.00 0.00 H new ATOM 48 N SER A 6 3.124 -22.721 7.039 1.00 0.00 N ATOM 49 CA SER A 6 4.199 -22.449 6.091 1.00 0.00 C ATOM 50 C SER A 6 4.221 -20.973 5.705 1.00 0.00 C ATOM 51 O SER A 6 5.281 -20.351 5.644 1.00 0.00 O ATOM 52 CB SER A 6 4.035 -23.313 4.840 1.00 0.00 C ATOM 53 OG SER A 6 2.725 -23.203 4.312 1.00 0.00 O ATOM 0 H SER A 6 2.211 -22.365 6.755 1.00 0.00 H new ATOM 0 HA SER A 6 5.146 -22.695 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.761 -23.008 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.246 -24.354 5.083 1.00 0.00 H new ATOM 0 HG SER A 6 2.647 -23.763 3.512 1.00 0.00 H new ATOM 59 N GLY A 7 3.041 -20.418 5.443 1.00 0.00 N ATOM 60 CA GLY A 7 2.946 -19.020 5.065 1.00 0.00 C ATOM 61 C GLY A 7 2.304 -18.170 6.144 1.00 0.00 C ATOM 62 O GLY A 7 2.444 -16.946 6.146 1.00 0.00 O ATOM 0 H GLY A 7 2.150 -20.912 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.943 -18.636 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.366 -18.934 4.146 1.00 0.00 H new ATOM 66 N LEU A 8 1.597 -18.819 7.063 1.00 0.00 N ATOM 67 CA LEU A 8 0.929 -18.114 8.152 1.00 0.00 C ATOM 68 C LEU A 8 1.941 -17.613 9.178 1.00 0.00 C ATOM 69 O LEU A 8 1.756 -16.558 9.784 1.00 0.00 O ATOM 70 CB LEU A 8 -0.090 -19.031 8.830 1.00 0.00 C ATOM 71 CG LEU A 8 -1.505 -19.005 8.251 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.952 -17.574 7.999 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.572 -19.821 6.969 1.00 0.00 C ATOM 0 H LEU A 8 1.472 -19.831 7.076 1.00 0.00 H new ATOM 0 HA LEU A 8 0.410 -17.253 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.283 -20.054 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.145 -18.762 9.885 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.183 -19.453 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.961 -17.575 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.944 -17.020 8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.272 -17.100 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.586 -19.791 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.882 -19.404 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.295 -20.854 7.180 1.00 0.00 H new ATOM 85 N LYS A 9 3.012 -18.377 9.367 1.00 0.00 N ATOM 86 CA LYS A 9 4.056 -18.010 10.316 1.00 0.00 C ATOM 87 C LYS A 9 4.666 -16.659 9.959 1.00 0.00 C ATOM 88 O LYS A 9 4.935 -15.838 10.836 1.00 0.00 O ATOM 89 CB LYS A 9 5.147 -19.083 10.345 1.00 0.00 C ATOM 90 CG LYS A 9 6.068 -18.981 11.549 1.00 0.00 C ATOM 91 CD LYS A 9 7.236 -18.047 11.281 1.00 0.00 C ATOM 92 CE LYS A 9 8.072 -17.827 12.532 1.00 0.00 C ATOM 93 NZ LYS A 9 8.965 -18.985 12.812 1.00 0.00 N ATOM 0 H LYS A 9 3.179 -19.255 8.875 1.00 0.00 H new ATOM 0 HA LYS A 9 3.603 -17.934 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.678 -20.067 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.743 -19.009 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.504 -18.622 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.444 -19.971 11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.862 -18.463 10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.862 -17.089 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.673 -16.925 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.413 -17.662 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.518 -18.797 13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.391 -19.841 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.611 -19.127 12.009 1.00 0.00 H new ATOM 107 N MET A 10 4.880 -16.434 8.667 1.00 0.00 N ATOM 108 CA MET A 10 5.456 -15.180 8.195 1.00 0.00 C ATOM 109 C MET A 10 4.430 -14.053 8.257 1.00 0.00 C ATOM 110 O MET A 10 4.787 -12.882 8.391 1.00 0.00 O ATOM 111 CB MET A 10 5.972 -15.338 6.763 1.00 0.00 C ATOM 112 CG MET A 10 7.272 -16.119 6.668 1.00 0.00 C ATOM 113 SD MET A 10 8.687 -15.189 7.288 1.00 0.00 S ATOM 114 CE MET A 10 9.842 -15.386 5.933 1.00 0.00 C ATOM 0 H MET A 10 4.663 -17.103 7.928 1.00 0.00 H new ATOM 0 HA MET A 10 6.290 -14.924 8.848 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.212 -15.840 6.165 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.119 -14.350 6.327 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.176 -17.047 7.232 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.451 -16.395 5.629 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.770 -14.865 6.167 1.00 0.00 H new ATOM 0 HE2 MET A 10 10.049 -16.446 5.783 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.411 -14.968 5.023 1.00 0.00 H new ATOM 124 N LEU A 11 3.156 -14.414 8.158 1.00 0.00 N ATOM 125 CA LEU A 11 2.077 -13.432 8.203 1.00 0.00 C ATOM 126 C LEU A 11 2.038 -12.728 9.555 1.00 0.00 C ATOM 127 O LEU A 11 1.816 -11.519 9.631 1.00 0.00 O ATOM 128 CB LEU A 11 0.733 -14.109 7.929 1.00 0.00 C ATOM 129 CG LEU A 11 -0.453 -13.174 7.689 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.102 -12.122 6.649 1.00 0.00 C ATOM 131 CD2 LEU A 11 -1.678 -13.966 7.257 1.00 0.00 C ATOM 0 H LEU A 11 2.844 -15.379 8.046 1.00 0.00 H new ATOM 0 HA LEU A 11 2.265 -12.686 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.844 -14.753 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.495 -14.755 8.774 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.685 -12.666 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.958 -11.466 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.746 -11.534 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.158 -12.611 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.512 -13.284 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.458 -14.502 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.943 -14.680 8.037 1.00 0.00 H new ATOM 143 N ARG A 12 2.257 -13.491 10.621 1.00 0.00 N ATOM 144 CA ARG A 12 2.247 -12.940 11.971 1.00 0.00 C ATOM 145 C ARG A 12 3.374 -11.927 12.152 1.00 0.00 C ATOM 146 O ARG A 12 3.176 -10.862 12.738 1.00 0.00 O ATOM 147 CB ARG A 12 2.384 -14.061 13.003 1.00 0.00 C ATOM 148 CG ARG A 12 2.254 -13.584 14.440 1.00 0.00 C ATOM 149 CD ARG A 12 2.754 -14.632 15.422 1.00 0.00 C ATOM 150 NE ARG A 12 4.212 -14.706 15.448 1.00 0.00 N ATOM 151 CZ ARG A 12 4.986 -13.784 16.010 1.00 0.00 C ATOM 152 NH1 ARG A 12 4.442 -12.723 16.590 1.00 0.00 N ATOM 153 NH2 ARG A 12 6.305 -13.922 15.993 1.00 0.00 N ATOM 0 H ARG A 12 2.444 -14.493 10.576 1.00 0.00 H new ATOM 0 HA ARG A 12 1.295 -12.431 12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.623 -14.817 12.810 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.353 -14.544 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.820 -12.662 14.571 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.211 -13.351 14.654 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.385 -14.398 16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.346 -15.606 15.151 1.00 0.00 H new ATOM 0 HE ARG A 12 4.661 -15.510 15.010 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.428 -12.614 16.605 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.038 -12.016 17.021 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.727 -14.737 15.548 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.898 -13.213 16.425 1.00 0.00 H new ATOM 167 N ASP A 13 4.554 -12.266 11.646 1.00 0.00 N ATOM 168 CA ASP A 13 5.712 -11.386 11.752 1.00 0.00 C ATOM 169 C ASP A 13 5.353 -9.963 11.335 1.00 0.00 C ATOM 170 O ASP A 13 5.833 -8.994 11.924 1.00 0.00 O ATOM 171 CB ASP A 13 6.859 -11.910 10.886 1.00 0.00 C ATOM 172 CG ASP A 13 7.758 -12.873 11.636 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.617 -12.401 12.409 1.00 0.00 O ATOM 174 OD2 ASP A 13 7.603 -14.098 11.449 1.00 0.00 O ATOM 0 H ASP A 13 4.734 -13.144 11.158 1.00 0.00 H new ATOM 0 HA ASP A 13 6.031 -11.371 12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.449 -12.409 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.452 -11.069 10.526 1.00 0.00 H new ATOM 179 N MET A 14 4.508 -9.845 10.317 1.00 0.00 N ATOM 180 CA MET A 14 4.085 -8.541 9.822 1.00 0.00 C ATOM 181 C MET A 14 3.137 -7.866 10.809 1.00 0.00 C ATOM 182 O MET A 14 3.381 -6.743 11.252 1.00 0.00 O ATOM 183 CB MET A 14 3.404 -8.684 8.460 1.00 0.00 C ATOM 184 CG MET A 14 4.380 -8.748 7.296 1.00 0.00 C ATOM 185 SD MET A 14 3.551 -8.774 5.695 1.00 0.00 S ATOM 186 CE MET A 14 3.147 -10.513 5.551 1.00 0.00 C ATOM 0 H MET A 14 4.102 -10.637 9.818 1.00 0.00 H new ATOM 0 HA MET A 14 4.972 -7.917 9.712 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.793 -9.587 8.461 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.728 -7.842 8.311 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.049 -7.889 7.340 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.999 -9.640 7.395 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.612 -10.922 4.654 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.517 -11.046 6.427 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.065 -10.631 5.484 1.00 0.00 H new ATOM 196 N THR A 15 2.054 -8.558 11.149 1.00 0.00 N ATOM 197 CA THR A 15 1.069 -8.025 12.082 1.00 0.00 C ATOM 198 C THR A 15 1.744 -7.410 13.303 1.00 0.00 C ATOM 199 O THR A 15 1.222 -6.476 13.908 1.00 0.00 O ATOM 200 CB THR A 15 0.088 -9.117 12.547 1.00 0.00 C ATOM 201 OG1 THR A 15 0.792 -10.134 13.268 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.634 -9.737 11.361 1.00 0.00 C ATOM 0 H THR A 15 1.837 -9.489 10.792 1.00 0.00 H new ATOM 0 HA THR A 15 0.515 -7.252 11.549 1.00 0.00 H new ATOM 0 HB THR A 15 -0.651 -8.655 13.201 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.579 -10.413 12.755 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.321 -10.505 11.715 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.193 -8.966 10.832 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.094 -10.185 10.685 1.00 0.00 H new ATOM 210 N GLY A 16 2.909 -7.942 13.659 1.00 0.00 N ATOM 211 CA GLY A 16 3.637 -7.432 14.807 1.00 0.00 C ATOM 212 C GLY A 16 4.149 -6.022 14.589 1.00 0.00 C ATOM 213 O GLY A 16 4.027 -5.167 15.468 1.00 0.00 O ATOM 0 H GLY A 16 3.362 -8.716 13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.987 -7.448 15.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.478 -8.091 15.022 1.00 0.00 H new ATOM 217 N LEU A 17 4.724 -5.777 13.417 1.00 0.00 N ATOM 218 CA LEU A 17 5.257 -4.461 13.087 1.00 0.00 C ATOM 219 C LEU A 17 4.367 -3.356 13.647 1.00 0.00 C ATOM 220 O LEU A 17 3.142 -3.472 13.685 1.00 0.00 O ATOM 221 CB LEU A 17 5.388 -4.307 11.570 1.00 0.00 C ATOM 222 CG LEU A 17 6.300 -5.314 10.870 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.153 -5.207 9.360 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.749 -5.098 11.283 1.00 0.00 C ATOM 0 H LEU A 17 4.833 -6.473 12.679 1.00 0.00 H new ATOM 0 HA LEU A 17 6.244 -4.372 13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.393 -4.381 11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.757 -3.304 11.357 1.00 0.00 H new ATOM 0 HG LEU A 17 6.002 -6.318 11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.810 -5.931 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.120 -5.411 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.424 -4.201 9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.384 -5.824 10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.059 -4.090 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.843 -5.226 12.361 1.00 0.00 H new ATOM 236 N PRO A 18 4.995 -2.257 14.090 1.00 0.00 N ATOM 237 CA PRO A 18 4.279 -1.108 14.653 1.00 0.00 C ATOM 238 C PRO A 18 3.482 -0.348 13.598 1.00 0.00 C ATOM 239 O PRO A 18 2.447 0.247 13.897 1.00 0.00 O ATOM 240 CB PRO A 18 5.400 -0.230 15.212 1.00 0.00 C ATOM 241 CG PRO A 18 6.601 -0.591 14.408 1.00 0.00 C ATOM 242 CD PRO A 18 6.453 -2.050 14.074 1.00 0.00 C ATOM 0 HA PRO A 18 3.545 -1.411 15.399 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.161 0.829 15.112 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.561 -0.422 16.273 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.660 0.013 13.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.516 -0.411 14.972 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.882 -2.285 13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.957 -2.683 14.805 1.00 0.00 H new ATOM 250 N HIS A 19 3.972 -0.371 12.362 1.00 0.00 N ATOM 251 CA HIS A 19 3.305 0.316 11.262 1.00 0.00 C ATOM 252 C HIS A 19 2.112 -0.492 10.761 1.00 0.00 C ATOM 253 O HIS A 19 1.467 -0.121 9.781 1.00 0.00 O ATOM 254 CB HIS A 19 4.287 0.562 10.116 1.00 0.00 C ATOM 255 CG HIS A 19 5.223 -0.582 9.874 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.490 -0.645 10.414 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.069 -1.713 9.146 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.076 -1.764 10.027 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.235 -2.430 9.257 1.00 0.00 N ATOM 0 H HIS A 19 4.828 -0.858 12.098 1.00 0.00 H new ATOM 0 HA HIS A 19 2.942 1.275 11.632 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.725 0.761 9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.869 1.458 10.333 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.909 0.062 11.018 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.193 -1.998 8.583 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.073 -2.080 10.295 1.00 0.00 H new ATOM 267 N ASN A 20 1.824 -1.597 11.441 1.00 0.00 N ATOM 268 CA ASN A 20 0.709 -2.458 11.063 1.00 0.00 C ATOM 269 C ASN A 20 -0.228 -2.684 12.246 1.00 0.00 C ATOM 270 O ASN A 20 -1.409 -2.981 12.067 1.00 0.00 O ATOM 271 CB ASN A 20 1.227 -3.801 10.545 1.00 0.00 C ATOM 272 CG ASN A 20 1.507 -3.777 9.055 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.843 -3.068 8.299 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.494 -4.555 8.626 1.00 0.00 N ATOM 0 H ASN A 20 2.347 -1.917 12.256 1.00 0.00 H new ATOM 0 HA ASN A 20 0.151 -1.961 10.269 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.140 -4.066 11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.494 -4.578 10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.728 -4.581 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.018 -5.126 9.289 1.00 0.00 H new ATOM 281 N ARG A 21 0.307 -2.540 13.454 1.00 0.00 N ATOM 282 CA ARG A 21 -0.481 -2.728 14.666 1.00 0.00 C ATOM 283 C ARG A 21 -1.924 -2.278 14.452 1.00 0.00 C ATOM 284 O ARG A 21 -2.858 -2.876 14.986 1.00 0.00 O ATOM 285 CB ARG A 21 0.139 -1.952 15.829 1.00 0.00 C ATOM 286 CG ARG A 21 1.455 -2.535 16.317 1.00 0.00 C ATOM 287 CD ARG A 21 1.230 -3.694 17.275 1.00 0.00 C ATOM 288 NE ARG A 21 0.459 -3.293 18.448 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.865 -3.372 18.520 1.00 0.00 C ATOM 290 NH1 ARG A 21 -1.561 -3.835 17.492 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.495 -2.987 19.623 1.00 0.00 N ATOM 0 H ARG A 21 1.283 -2.294 13.619 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.482 -3.791 14.907 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.301 -0.919 15.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.568 -1.930 16.658 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.042 -2.875 15.464 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.036 -1.758 16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.708 -4.497 16.755 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.193 -4.093 17.593 1.00 0.00 H new ATOM 0 HE ARG A 21 0.965 -2.932 19.257 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.080 -4.132 16.643 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.578 -3.895 17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.962 -2.630 20.416 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.512 -3.048 19.677 1.00 0.00 H new ATOM 305 N LYS A 22 -2.098 -1.219 13.668 1.00 0.00 N ATOM 306 CA LYS A 22 -3.425 -0.688 13.382 1.00 0.00 C ATOM 307 C LYS A 22 -3.694 -0.676 11.881 1.00 0.00 C ATOM 308 O LYS A 22 -2.879 -1.151 11.089 1.00 0.00 O ATOM 309 CB LYS A 22 -3.563 0.727 13.948 1.00 0.00 C ATOM 310 CG LYS A 22 -2.977 0.886 15.340 1.00 0.00 C ATOM 311 CD LYS A 22 -1.508 1.273 15.285 1.00 0.00 C ATOM 312 CE LYS A 22 -0.834 1.092 16.637 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.205 2.173 17.591 1.00 0.00 N ATOM 0 H LYS A 22 -1.336 -0.711 13.219 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.160 -1.337 13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.071 1.428 13.274 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.619 0.997 13.974 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.535 1.647 15.886 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.088 -0.048 15.892 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.998 0.664 14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.416 2.312 14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.115 0.126 17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.248 1.080 16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.725 2.014 18.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.915 3.093 17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.235 2.169 17.737 1.00 0.00 H new ATOM 327 N CYS A 23 -4.842 -0.128 11.495 1.00 0.00 N ATOM 328 CA CYS A 23 -5.218 -0.053 10.088 1.00 0.00 C ATOM 329 C CYS A 23 -4.343 0.952 9.344 1.00 0.00 C ATOM 330 O CYS A 23 -3.491 1.611 9.940 1.00 0.00 O ATOM 331 CB CYS A 23 -6.691 0.340 9.953 1.00 0.00 C ATOM 332 SG CYS A 23 -7.497 -0.303 8.452 1.00 0.00 S ATOM 0 H CYS A 23 -5.528 0.270 12.137 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.068 -1.037 9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.234 -0.021 10.827 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.768 1.427 9.956 1.00 0.00 H new ATOM 337 N PHE A 24 -4.559 1.063 8.038 1.00 0.00 N ATOM 338 CA PHE A 24 -3.790 1.986 7.211 1.00 0.00 C ATOM 339 C PHE A 24 -4.638 3.188 6.806 1.00 0.00 C ATOM 340 O PHE A 24 -4.111 4.218 6.385 1.00 0.00 O ATOM 341 CB PHE A 24 -3.268 1.272 5.963 1.00 0.00 C ATOM 342 CG PHE A 24 -2.470 2.161 5.053 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.103 3.062 4.213 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.086 2.096 5.038 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.372 3.883 3.375 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.349 2.914 4.202 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.993 3.808 3.369 1.00 0.00 C ATOM 0 H PHE A 24 -5.260 0.525 7.529 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.943 2.342 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.648 0.429 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.112 0.862 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.181 3.124 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.577 1.398 5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.878 4.582 2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.729 2.854 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.419 4.447 2.714 1.00 0.00 H new ATOM 357 N ASP A 25 -5.952 3.049 6.936 1.00 0.00 N ATOM 358 CA ASP A 25 -6.874 4.123 6.584 1.00 0.00 C ATOM 359 C ASP A 25 -7.479 4.751 7.836 1.00 0.00 C ATOM 360 O ASP A 25 -7.338 5.952 8.071 1.00 0.00 O ATOM 361 CB ASP A 25 -7.985 3.594 5.676 1.00 0.00 C ATOM 362 CG ASP A 25 -7.523 2.438 4.810 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.329 2.409 4.446 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.356 1.563 4.496 1.00 0.00 O ATOM 0 H ASP A 25 -6.404 2.203 7.283 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.313 4.889 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.828 3.272 6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.344 4.401 5.038 1.00 0.00 H new ATOM 369 N CYS A 26 -8.154 3.933 8.635 1.00 0.00 N ATOM 370 CA CYS A 26 -8.783 4.407 9.862 1.00 0.00 C ATOM 371 C CYS A 26 -7.861 4.201 11.060 1.00 0.00 C ATOM 372 O CYS A 26 -8.284 4.322 12.210 1.00 0.00 O ATOM 373 CB CYS A 26 -10.109 3.681 10.094 1.00 0.00 C ATOM 374 SG CYS A 26 -9.961 1.866 10.162 1.00 0.00 S ATOM 0 H CYS A 26 -8.280 2.937 8.455 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.976 5.474 9.753 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.546 4.034 11.028 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.802 3.949 9.296 1.00 0.00 H new ATOM 379 N ASP A 27 -6.599 3.890 10.783 1.00 0.00 N ATOM 380 CA ASP A 27 -5.616 3.669 11.837 1.00 0.00 C ATOM 381 C ASP A 27 -6.230 2.891 12.997 1.00 0.00 C ATOM 382 O ASP A 27 -5.772 2.992 14.135 1.00 0.00 O ATOM 383 CB ASP A 27 -5.064 5.004 12.338 1.00 0.00 C ATOM 384 CG ASP A 27 -3.833 4.833 13.205 1.00 0.00 C ATOM 385 OD1 ASP A 27 -2.754 4.534 12.651 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.947 4.999 14.437 1.00 0.00 O ATOM 0 H ASP A 27 -6.233 3.785 9.837 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.798 3.081 11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.818 5.636 11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.836 5.523 12.907 1.00 0.00 H new ATOM 391 N GLN A 28 -7.268 2.116 12.700 1.00 0.00 N ATOM 392 CA GLN A 28 -7.945 1.323 13.719 1.00 0.00 C ATOM 393 C GLN A 28 -7.036 0.213 14.238 1.00 0.00 C ATOM 394 O GLN A 28 -6.447 -0.535 13.458 1.00 0.00 O ATOM 395 CB GLN A 28 -9.233 0.721 13.155 1.00 0.00 C ATOM 396 CG GLN A 28 -9.983 -0.152 14.148 1.00 0.00 C ATOM 397 CD GLN A 28 -10.808 0.657 15.129 1.00 0.00 C ATOM 398 OE1 GLN A 28 -10.285 1.183 16.112 1.00 0.00 O ATOM 399 NE2 GLN A 28 -12.106 0.762 14.867 1.00 0.00 N ATOM 0 H GLN A 28 -7.658 2.020 11.762 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.194 1.983 14.550 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.888 1.528 12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.991 0.128 12.273 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.637 -0.834 13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.269 -0.765 14.698 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.498 0.310 14.041 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.711 1.295 15.492 1.00 0.00 H new ATOM 408 N ARG A 29 -6.927 0.114 15.558 1.00 0.00 N ATOM 409 CA ARG A 29 -6.088 -0.903 16.181 1.00 0.00 C ATOM 410 C ARG A 29 -6.729 -2.283 16.063 1.00 0.00 C ATOM 411 O ARG A 29 -7.834 -2.509 16.553 1.00 0.00 O ATOM 412 CB ARG A 29 -5.848 -0.565 17.654 1.00 0.00 C ATOM 413 CG ARG A 29 -6.993 0.199 18.298 1.00 0.00 C ATOM 414 CD ARG A 29 -6.786 1.702 18.197 1.00 0.00 C ATOM 415 NE ARG A 29 -5.820 2.189 19.178 1.00 0.00 N ATOM 416 CZ ARG A 29 -5.633 3.475 19.450 1.00 0.00 C ATOM 417 NH1 ARG A 29 -6.343 4.400 18.818 1.00 0.00 N ATOM 418 NH2 ARG A 29 -4.734 3.840 20.356 1.00 0.00 N ATOM 0 H ARG A 29 -7.409 0.725 16.217 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.132 -0.919 15.659 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.682 -1.489 18.208 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.936 0.025 17.739 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.931 -0.073 17.815 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.079 -0.088 19.346 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.442 1.954 17.194 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.739 2.210 18.344 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.258 1.503 19.682 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.035 4.124 18.121 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.197 5.387 19.029 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.186 3.132 20.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.592 4.828 20.564 1.00 0.00 H new ATOM 432 N GLY A 30 -6.025 -3.202 15.409 1.00 0.00 N ATOM 433 CA GLY A 30 -6.541 -4.548 15.237 1.00 0.00 C ATOM 434 C GLY A 30 -7.031 -4.806 13.826 1.00 0.00 C ATOM 435 O GLY A 30 -8.216 -5.045 13.592 1.00 0.00 O ATOM 0 H GLY A 30 -5.107 -3.039 14.995 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.760 -5.267 15.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.359 -4.712 15.938 1.00 0.00 H new ATOM 439 N PRO A 31 -6.106 -4.756 12.856 1.00 0.00 N ATOM 440 CA PRO A 31 -6.427 -4.982 11.444 1.00 0.00 C ATOM 441 C PRO A 31 -6.791 -6.435 11.158 1.00 0.00 C ATOM 442 O PRO A 31 -6.222 -7.356 11.745 1.00 0.00 O ATOM 443 CB PRO A 31 -5.133 -4.602 10.721 1.00 0.00 C ATOM 444 CG PRO A 31 -4.059 -4.807 11.733 1.00 0.00 C ATOM 445 CD PRO A 31 -4.676 -4.475 13.064 1.00 0.00 C ATOM 0 HA PRO A 31 -7.294 -4.404 11.125 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.973 -5.226 9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.161 -3.568 10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.698 -5.835 11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.202 -4.165 11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.259 -5.086 13.864 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.507 -3.433 13.337 1.00 0.00 H new ATOM 453 N THR A 32 -7.742 -6.635 10.251 1.00 0.00 N ATOM 454 CA THR A 32 -8.182 -7.976 9.887 1.00 0.00 C ATOM 455 C THR A 32 -8.267 -8.135 8.373 1.00 0.00 C ATOM 456 O THR A 32 -8.956 -9.022 7.870 1.00 0.00 O ATOM 457 CB THR A 32 -9.555 -8.303 10.504 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.540 -7.382 10.024 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.494 -8.243 12.023 1.00 0.00 C ATOM 0 H THR A 32 -8.223 -5.885 9.755 1.00 0.00 H new ATOM 0 HA THR A 32 -7.440 -8.670 10.281 1.00 0.00 H new ATOM 0 HB THR A 32 -9.830 -9.315 10.207 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.410 -7.598 10.420 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.475 -8.477 12.436 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.765 -8.967 12.387 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.198 -7.242 12.336 1.00 0.00 H new ATOM 467 N TYR A 33 -7.561 -7.271 7.652 1.00 0.00 N ATOM 468 CA TYR A 33 -7.558 -7.315 6.195 1.00 0.00 C ATOM 469 C TYR A 33 -6.239 -6.791 5.636 1.00 0.00 C ATOM 470 O TYR A 33 -5.469 -6.136 6.340 1.00 0.00 O ATOM 471 CB TYR A 33 -8.723 -6.495 5.636 1.00 0.00 C ATOM 472 CG TYR A 33 -10.016 -7.271 5.536 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.850 -7.415 6.638 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.404 -7.861 4.339 1.00 0.00 C ATOM 475 CE1 TYR A 33 -12.033 -8.124 6.551 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.586 -8.571 4.243 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.396 -8.699 5.352 1.00 0.00 C ATOM 478 OH TYR A 33 -13.574 -9.406 5.260 1.00 0.00 O ATOM 0 H TYR A 33 -6.984 -6.532 8.053 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.674 -8.355 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.880 -5.623 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.454 -6.124 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.569 -6.965 7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.771 -7.763 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.669 -8.227 7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.874 -9.023 3.305 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.681 -9.745 4.347 1.00 0.00 H new ATOM 488 N VAL A 34 -5.984 -7.083 4.365 1.00 0.00 N ATOM 489 CA VAL A 34 -4.759 -6.641 3.710 1.00 0.00 C ATOM 490 C VAL A 34 -5.001 -6.344 2.234 1.00 0.00 C ATOM 491 O VAL A 34 -5.514 -7.185 1.498 1.00 0.00 O ATOM 492 CB VAL A 34 -3.644 -7.696 3.833 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.914 -7.549 5.160 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.217 -9.097 3.683 1.00 0.00 C ATOM 0 H VAL A 34 -6.610 -7.624 3.768 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.443 -5.728 4.215 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.925 -7.535 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.130 -8.303 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.469 -6.556 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.619 -7.683 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.415 -9.830 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.958 -9.273 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.690 -9.194 2.706 1.00 0.00 H new ATOM 504 N ASN A 35 -4.628 -5.141 1.809 1.00 0.00 N ATOM 505 CA ASN A 35 -4.805 -4.733 0.420 1.00 0.00 C ATOM 506 C ASN A 35 -3.750 -5.375 -0.475 1.00 0.00 C ATOM 507 O ASN A 35 -2.571 -5.026 -0.410 1.00 0.00 O ATOM 508 CB ASN A 35 -4.732 -3.209 0.302 1.00 0.00 C ATOM 509 CG ASN A 35 -5.230 -2.709 -1.040 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.895 -3.265 -2.086 1.00 0.00 O ATOM 511 ND2 ASN A 35 -6.034 -1.652 -1.017 1.00 0.00 N ATOM 0 H ASN A 35 -4.202 -4.432 2.406 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.788 -5.070 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.324 -2.757 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.702 -2.885 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.399 -1.270 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.286 -1.222 -0.127 1.00 0.00 H new ATOM 518 N MET A 36 -4.182 -6.315 -1.309 1.00 0.00 N ATOM 519 CA MET A 36 -3.274 -7.005 -2.219 1.00 0.00 C ATOM 520 C MET A 36 -2.761 -6.056 -3.297 1.00 0.00 C ATOM 521 O MET A 36 -1.667 -6.241 -3.833 1.00 0.00 O ATOM 522 CB MET A 36 -3.977 -8.199 -2.866 1.00 0.00 C ATOM 523 CG MET A 36 -3.886 -9.476 -2.046 1.00 0.00 C ATOM 524 SD MET A 36 -2.423 -10.453 -2.442 1.00 0.00 S ATOM 525 CE MET A 36 -1.328 -9.981 -1.105 1.00 0.00 C ATOM 0 H MET A 36 -5.154 -6.617 -1.374 1.00 0.00 H new ATOM 0 HA MET A 36 -2.422 -7.364 -1.641 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.027 -7.951 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.542 -8.377 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.873 -9.222 -0.986 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.778 -10.078 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.556 -10.741 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.861 -9.024 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.899 -9.891 -0.181 1.00 0.00 H new ATOM 535 N THR A 37 -3.557 -5.039 -3.613 1.00 0.00 N ATOM 536 CA THR A 37 -3.183 -4.063 -4.629 1.00 0.00 C ATOM 537 C THR A 37 -2.130 -3.096 -4.101 1.00 0.00 C ATOM 538 O THR A 37 -1.021 -3.020 -4.631 1.00 0.00 O ATOM 539 CB THR A 37 -4.406 -3.260 -5.112 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.364 -4.139 -5.711 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.991 -2.194 -6.115 1.00 0.00 C ATOM 0 H THR A 37 -4.465 -4.870 -3.180 1.00 0.00 H new ATOM 0 HA THR A 37 -2.770 -4.622 -5.468 1.00 0.00 H new ATOM 0 HB THR A 37 -4.855 -2.769 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.061 -3.611 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.871 -1.640 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.284 -1.509 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.520 -2.668 -6.976 1.00 0.00 H new ATOM 549 N VAL A 38 -2.483 -2.358 -3.053 1.00 0.00 N ATOM 550 CA VAL A 38 -1.567 -1.396 -2.452 1.00 0.00 C ATOM 551 C VAL A 38 -0.502 -2.099 -1.617 1.00 0.00 C ATOM 552 O VAL A 38 0.604 -1.588 -1.445 1.00 0.00 O ATOM 553 CB VAL A 38 -2.317 -0.386 -1.563 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.391 0.744 -1.141 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.538 0.157 -2.289 1.00 0.00 C ATOM 0 H VAL A 38 -3.397 -2.408 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.087 -0.861 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.656 -0.900 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.938 1.448 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.550 0.335 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.020 1.260 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.056 0.869 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.224 0.657 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.210 -0.665 -2.536 1.00 0.00 H new ATOM 565 N GLY A 39 -0.844 -3.276 -1.101 1.00 0.00 N ATOM 566 CA GLY A 39 0.094 -4.030 -0.290 1.00 0.00 C ATOM 567 C GLY A 39 0.162 -3.526 1.138 1.00 0.00 C ATOM 568 O GLY A 39 1.213 -3.588 1.775 1.00 0.00 O ATOM 0 H GLY A 39 -1.753 -3.720 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.195 -5.081 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.085 -3.973 -0.740 1.00 0.00 H new ATOM 572 N SER A 40 -0.961 -3.024 1.641 1.00 0.00 N ATOM 573 CA SER A 40 -1.023 -2.502 3.001 1.00 0.00 C ATOM 574 C SER A 40 -1.981 -3.325 3.856 1.00 0.00 C ATOM 575 O SER A 40 -2.698 -4.188 3.349 1.00 0.00 O ATOM 576 CB SER A 40 -1.463 -1.037 2.988 1.00 0.00 C ATOM 577 OG SER A 40 -2.843 -0.922 2.687 1.00 0.00 O ATOM 0 H SER A 40 -1.840 -2.968 1.127 1.00 0.00 H new ATOM 0 HA SER A 40 -0.026 -2.571 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.260 -0.584 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.880 -0.485 2.251 1.00 0.00 H new ATOM 0 HG SER A 40 -3.100 0.024 2.686 1.00 0.00 H new ATOM 583 N PHE A 41 -1.988 -3.052 5.156 1.00 0.00 N ATOM 584 CA PHE A 41 -2.857 -3.767 6.083 1.00 0.00 C ATOM 585 C PHE A 41 -4.113 -2.956 6.388 1.00 0.00 C ATOM 586 O PHE A 41 -4.037 -1.854 6.933 1.00 0.00 O ATOM 587 CB PHE A 41 -2.109 -4.076 7.382 1.00 0.00 C ATOM 588 CG PHE A 41 -1.163 -5.237 7.268 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.198 -5.267 6.274 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.240 -6.300 8.153 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.674 -6.334 6.166 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.371 -7.370 8.051 1.00 0.00 C ATOM 593 CZ PHE A 41 0.586 -7.387 7.055 1.00 0.00 C ATOM 0 H PHE A 41 -1.401 -2.340 5.592 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.156 -4.703 5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.551 -3.192 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.834 -4.285 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.126 -4.447 5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.988 -6.293 8.932 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.423 -6.344 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.440 -8.191 8.749 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.265 -8.223 6.972 1.00 0.00 H new ATOM 603 N VAL A 42 -5.268 -3.508 6.030 1.00 0.00 N ATOM 604 CA VAL A 42 -6.541 -2.837 6.265 1.00 0.00 C ATOM 605 C VAL A 42 -7.440 -3.667 7.175 1.00 0.00 C ATOM 606 O VAL A 42 -7.044 -4.728 7.657 1.00 0.00 O ATOM 607 CB VAL A 42 -7.282 -2.561 4.943 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.571 -1.475 4.149 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.404 -3.837 4.124 1.00 0.00 C ATOM 0 H VAL A 42 -5.348 -4.418 5.576 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.314 -1.888 6.751 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.287 -2.209 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.109 -1.294 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.540 -0.557 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.554 -1.796 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.930 -3.623 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.409 -4.221 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.960 -4.582 4.692 1.00 0.00 H new ATOM 619 N CYS A 43 -8.653 -3.176 7.405 1.00 0.00 N ATOM 620 CA CYS A 43 -9.610 -3.871 8.258 1.00 0.00 C ATOM 621 C CYS A 43 -10.875 -4.224 7.480 1.00 0.00 C ATOM 622 O CYS A 43 -10.993 -3.919 6.293 1.00 0.00 O ATOM 623 CB CYS A 43 -9.968 -3.008 9.469 1.00 0.00 C ATOM 624 SG CYS A 43 -10.938 -1.521 9.061 1.00 0.00 S ATOM 0 H CYS A 43 -8.997 -2.299 7.013 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.146 -4.795 8.604 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.532 -3.613 10.179 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.049 -2.703 9.969 1.00 0.00 H new ATOM 629 N THR A 44 -11.819 -4.870 8.157 1.00 0.00 N ATOM 630 CA THR A 44 -13.074 -5.266 7.531 1.00 0.00 C ATOM 631 C THR A 44 -13.897 -4.047 7.131 1.00 0.00 C ATOM 632 O THR A 44 -14.648 -4.086 6.156 1.00 0.00 O ATOM 633 CB THR A 44 -13.914 -6.154 8.468 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.993 -6.751 7.741 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.466 -5.344 9.631 1.00 0.00 C ATOM 0 H THR A 44 -11.738 -5.130 9.140 1.00 0.00 H new ATOM 0 HA THR A 44 -12.816 -5.836 6.638 1.00 0.00 H new ATOM 0 HB THR A 44 -13.268 -6.937 8.866 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.521 -7.315 8.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.056 -5.993 10.279 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.641 -4.916 10.200 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.098 -4.542 9.249 1.00 0.00 H new ATOM 643 N SER A 45 -13.752 -2.966 7.890 1.00 0.00 N ATOM 644 CA SER A 45 -14.485 -1.736 7.617 1.00 0.00 C ATOM 645 C SER A 45 -13.948 -1.050 6.364 1.00 0.00 C ATOM 646 O SER A 45 -14.706 -0.468 5.587 1.00 0.00 O ATOM 647 CB SER A 45 -14.392 -0.785 8.811 1.00 0.00 C ATOM 648 OG SER A 45 -15.256 0.327 8.648 1.00 0.00 O ATOM 0 H SER A 45 -13.133 -2.917 8.699 1.00 0.00 H new ATOM 0 HA SER A 45 -15.530 -1.996 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.650 -1.319 9.726 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.365 -0.438 8.924 1.00 0.00 H new ATOM 0 HG SER A 45 -15.178 0.918 9.426 1.00 0.00 H new ATOM 654 N CYS A 46 -12.635 -1.125 6.173 1.00 0.00 N ATOM 655 CA CYS A 46 -11.995 -0.512 5.015 1.00 0.00 C ATOM 656 C CYS A 46 -12.057 -1.440 3.805 1.00 0.00 C ATOM 657 O CYS A 46 -12.175 -0.986 2.667 1.00 0.00 O ATOM 658 CB CYS A 46 -10.538 -0.169 5.335 1.00 0.00 C ATOM 659 SG CYS A 46 -10.340 1.170 6.554 1.00 0.00 S ATOM 0 H CYS A 46 -11.994 -1.604 6.805 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.533 0.405 4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.039 -1.063 5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.032 0.116 4.413 1.00 0.00 H new ATOM 664 N SER A 47 -11.976 -2.742 4.060 1.00 0.00 N ATOM 665 CA SER A 47 -12.019 -3.734 2.992 1.00 0.00 C ATOM 666 C SER A 47 -13.211 -3.489 2.072 1.00 0.00 C ATOM 667 O SER A 47 -13.110 -3.635 0.854 1.00 0.00 O ATOM 668 CB SER A 47 -12.095 -5.144 3.580 1.00 0.00 C ATOM 669 OG SER A 47 -13.227 -5.287 4.420 1.00 0.00 O ATOM 0 H SER A 47 -11.880 -3.134 4.997 1.00 0.00 H new ATOM 0 HA SER A 47 -11.105 -3.642 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.142 -5.875 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.188 -5.354 4.148 1.00 0.00 H new ATOM 0 HG SER A 47 -13.561 -4.401 4.672 1.00 0.00 H new ATOM 675 N GLY A 48 -14.342 -3.117 2.664 1.00 0.00 N ATOM 676 CA GLY A 48 -15.538 -2.858 1.884 1.00 0.00 C ATOM 677 C GLY A 48 -15.500 -1.509 1.194 1.00 0.00 C ATOM 678 O GLY A 48 -16.005 -1.359 0.081 1.00 0.00 O ATOM 0 H GLY A 48 -14.451 -2.990 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.657 -3.642 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.410 -2.905 2.536 1.00 0.00 H new ATOM 682 N SER A 49 -14.900 -0.525 1.855 1.00 0.00 N ATOM 683 CA SER A 49 -14.802 0.820 1.300 1.00 0.00 C ATOM 684 C SER A 49 -13.898 0.837 0.072 1.00 0.00 C ATOM 685 O SER A 49 -14.299 1.286 -1.003 1.00 0.00 O ATOM 686 CB SER A 49 -14.268 1.792 2.354 1.00 0.00 C ATOM 687 OG SER A 49 -14.529 3.136 1.989 1.00 0.00 O ATOM 0 H SER A 49 -14.474 -0.633 2.776 1.00 0.00 H new ATOM 0 HA SER A 49 -15.801 1.135 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.730 1.578 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.195 1.647 2.476 1.00 0.00 H new ATOM 0 HG SER A 49 -14.179 3.736 2.680 1.00 0.00 H new ATOM 693 N LEU A 50 -12.675 0.345 0.238 1.00 0.00 N ATOM 694 CA LEU A 50 -11.712 0.302 -0.857 1.00 0.00 C ATOM 695 C LEU A 50 -12.382 -0.138 -2.154 1.00 0.00 C ATOM 696 O LEU A 50 -12.213 0.494 -3.197 1.00 0.00 O ATOM 697 CB LEU A 50 -10.563 -0.648 -0.514 1.00 0.00 C ATOM 698 CG LEU A 50 -9.520 -0.113 0.468 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.704 -1.254 1.054 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.612 0.898 -0.217 1.00 0.00 C ATOM 0 H LEU A 50 -12.327 -0.030 1.120 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.314 1.307 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.986 -1.563 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.055 -0.921 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.040 0.390 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.967 -0.854 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.366 -1.941 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.193 -1.786 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.876 1.268 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.099 0.420 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.209 1.731 -0.587 1.00 0.00 H new ATOM 712 N ARG A 51 -13.143 -1.225 -2.082 1.00 0.00 N ATOM 713 CA ARG A 51 -13.839 -1.750 -3.251 1.00 0.00 C ATOM 714 C ARG A 51 -14.697 -0.669 -3.903 1.00 0.00 C ATOM 715 O ARG A 51 -14.801 -0.600 -5.127 1.00 0.00 O ATOM 716 CB ARG A 51 -14.714 -2.942 -2.857 1.00 0.00 C ATOM 717 CG ARG A 51 -13.928 -4.115 -2.296 1.00 0.00 C ATOM 718 CD ARG A 51 -14.771 -4.945 -1.341 1.00 0.00 C ATOM 719 NE ARG A 51 -15.595 -5.923 -2.047 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.562 -6.624 -1.467 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.826 -6.456 -0.178 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.269 -7.495 -2.176 1.00 0.00 N ATOM 0 H ARG A 51 -13.293 -1.760 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.090 -2.080 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.444 -2.617 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.274 -3.275 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.578 -4.744 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.044 -3.746 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.119 -5.461 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.412 -4.285 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.418 -6.076 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.286 -5.787 0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.569 -6.996 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.070 -7.627 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.012 -8.033 -1.729 1.00 0.00 H new ATOM 736 N GLY A 52 -15.310 0.173 -3.076 1.00 0.00 N ATOM 737 CA GLY A 52 -16.150 1.238 -3.590 1.00 0.00 C ATOM 738 C GLY A 52 -15.449 2.074 -4.642 1.00 0.00 C ATOM 739 O GLY A 52 -16.079 2.561 -5.581 1.00 0.00 O ATOM 0 H GLY A 52 -15.239 0.136 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.056 0.808 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.460 1.881 -2.767 1.00 0.00 H new ATOM 743 N LEU A 53 -14.140 2.244 -4.484 1.00 0.00 N ATOM 744 CA LEU A 53 -13.352 3.029 -5.427 1.00 0.00 C ATOM 745 C LEU A 53 -13.379 2.400 -6.816 1.00 0.00 C ATOM 746 O LEU A 53 -13.983 1.347 -7.020 1.00 0.00 O ATOM 747 CB LEU A 53 -11.907 3.149 -4.938 1.00 0.00 C ATOM 748 CG LEU A 53 -11.724 3.646 -3.503 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.449 3.076 -2.900 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.702 5.167 -3.463 1.00 0.00 C ATOM 0 H LEU A 53 -13.603 1.849 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.793 4.024 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.432 2.172 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.373 3.825 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.569 3.300 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.335 3.440 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.505 1.987 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.592 3.391 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.571 5.502 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.877 5.535 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.643 5.555 -3.854 1.00 0.00 H new ATOM 762 N ASN A 54 -12.719 3.051 -7.768 1.00 0.00 N ATOM 763 CA ASN A 54 -12.666 2.554 -9.138 1.00 0.00 C ATOM 764 C ASN A 54 -11.348 2.937 -9.805 1.00 0.00 C ATOM 765 O ASN A 54 -11.001 4.113 -9.920 1.00 0.00 O ATOM 766 CB ASN A 54 -13.840 3.107 -9.949 1.00 0.00 C ATOM 767 CG ASN A 54 -14.127 2.280 -11.187 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.280 1.061 -11.112 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.202 2.942 -12.336 1.00 0.00 N ATOM 0 H ASN A 54 -12.213 3.924 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.735 1.467 -9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.730 3.137 -9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.623 4.134 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.393 2.439 -13.203 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.068 3.953 -12.352 1.00 0.00 H new ATOM 776 N PRO A 55 -10.596 1.923 -10.257 1.00 0.00 N ATOM 777 CA PRO A 55 -11.000 0.519 -10.125 1.00 0.00 C ATOM 778 C PRO A 55 -10.957 0.037 -8.679 1.00 0.00 C ATOM 779 O PRO A 55 -10.211 0.556 -7.848 1.00 0.00 O ATOM 780 CB PRO A 55 -9.964 -0.228 -10.969 1.00 0.00 C ATOM 781 CG PRO A 55 -8.767 0.659 -10.973 1.00 0.00 C ATOM 782 CD PRO A 55 -9.295 2.067 -10.930 1.00 0.00 C ATOM 0 HA PRO A 55 -12.029 0.358 -10.447 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.733 -1.203 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.330 -0.404 -11.981 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.128 0.456 -10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.163 0.496 -11.866 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.628 2.729 -10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.404 2.486 -11.930 1.00 0.00 H new ATOM 790 N PRO A 56 -11.774 -0.980 -8.369 1.00 0.00 N ATOM 791 CA PRO A 56 -11.847 -1.555 -7.023 1.00 0.00 C ATOM 792 C PRO A 56 -10.585 -2.328 -6.654 1.00 0.00 C ATOM 793 O PRO A 56 -10.196 -3.268 -7.348 1.00 0.00 O ATOM 794 CB PRO A 56 -13.048 -2.500 -7.105 1.00 0.00 C ATOM 795 CG PRO A 56 -13.150 -2.859 -8.547 1.00 0.00 C ATOM 796 CD PRO A 56 -12.691 -1.647 -9.309 1.00 0.00 C ATOM 0 HA PRO A 56 -11.944 -0.786 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.898 -3.385 -6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.958 -2.015 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.529 -3.724 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.174 -3.122 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.187 -1.922 -10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.527 -1.002 -9.580 1.00 0.00 H new ATOM 804 N HIS A 57 -9.950 -1.927 -5.557 1.00 0.00 N ATOM 805 CA HIS A 57 -8.733 -2.584 -5.095 1.00 0.00 C ATOM 806 C HIS A 57 -9.027 -4.005 -4.623 1.00 0.00 C ATOM 807 O HIS A 57 -10.185 -4.381 -4.443 1.00 0.00 O ATOM 808 CB HIS A 57 -8.092 -1.780 -3.963 1.00 0.00 C ATOM 809 CG HIS A 57 -7.494 -0.483 -4.413 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.591 0.232 -3.656 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.672 0.226 -5.552 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.241 1.326 -4.308 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.883 1.346 -5.462 1.00 0.00 N ATOM 0 H HIS A 57 -10.258 -1.150 -4.972 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.038 -2.636 -5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.844 -1.578 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.316 -2.385 -3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.315 -0.040 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.548 2.076 -3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.805 2.075 -6.171 1.00 0.00 H new ATOM 821 N ARG A 58 -7.972 -4.788 -4.426 1.00 0.00 N ATOM 822 CA ARG A 58 -8.118 -6.168 -3.978 1.00 0.00 C ATOM 823 C ARG A 58 -7.832 -6.286 -2.483 1.00 0.00 C ATOM 824 O ARG A 58 -6.709 -6.058 -2.035 1.00 0.00 O ATOM 825 CB ARG A 58 -7.176 -7.084 -4.762 1.00 0.00 C ATOM 826 CG ARG A 58 -7.486 -7.146 -6.248 1.00 0.00 C ATOM 827 CD ARG A 58 -6.267 -7.571 -7.054 1.00 0.00 C ATOM 828 NE ARG A 58 -6.634 -8.086 -8.370 1.00 0.00 N ATOM 829 CZ ARG A 58 -5.751 -8.365 -9.322 1.00 0.00 C ATOM 830 NH1 ARG A 58 -4.456 -8.179 -9.105 1.00 0.00 N ATOM 831 NH2 ARG A 58 -6.162 -8.831 -10.495 1.00 0.00 N ATOM 0 H ARG A 58 -7.007 -4.491 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.148 -6.476 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.151 -6.738 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.231 -8.090 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.301 -7.848 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.828 -6.169 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.596 -6.720 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.718 -8.336 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.622 -8.240 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.136 -7.821 -8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.780 -8.394 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.157 -8.975 -10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.483 -9.045 -11.225 1.00 0.00 H new ATOM 845 N VAL A 59 -8.858 -6.644 -1.717 1.00 0.00 N ATOM 846 CA VAL A 59 -8.717 -6.793 -0.273 1.00 0.00 C ATOM 847 C VAL A 59 -8.934 -8.241 0.153 1.00 0.00 C ATOM 848 O VAL A 59 -9.712 -8.971 -0.461 1.00 0.00 O ATOM 849 CB VAL A 59 -9.711 -5.893 0.484 1.00 0.00 C ATOM 850 CG1 VAL A 59 -9.106 -4.519 0.732 1.00 0.00 C ATOM 851 CG2 VAL A 59 -11.018 -5.777 -0.287 1.00 0.00 C ATOM 0 H VAL A 59 -9.795 -6.836 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.700 -6.491 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.924 -6.350 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.823 -3.897 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.199 -4.623 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.862 -4.051 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.709 -5.137 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.824 -5.344 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.458 -6.767 -0.408 1.00 0.00 H new ATOM 861 N LYS A 60 -8.241 -8.651 1.210 1.00 0.00 N ATOM 862 CA LYS A 60 -8.358 -10.011 1.721 1.00 0.00 C ATOM 863 C LYS A 60 -8.100 -10.051 3.224 1.00 0.00 C ATOM 864 O LYS A 60 -7.295 -9.280 3.747 1.00 0.00 O ATOM 865 CB LYS A 60 -7.374 -10.935 1.000 1.00 0.00 C ATOM 866 CG LYS A 60 -7.946 -11.571 -0.256 1.00 0.00 C ATOM 867 CD LYS A 60 -6.977 -12.570 -0.865 1.00 0.00 C ATOM 868 CE LYS A 60 -7.141 -13.951 -0.249 1.00 0.00 C ATOM 869 NZ LYS A 60 -8.419 -14.595 -0.660 1.00 0.00 N ATOM 0 H LYS A 60 -7.592 -8.060 1.730 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.375 -10.356 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.482 -10.367 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.059 -11.722 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.884 -12.072 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.176 -10.795 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.141 -12.628 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.954 -12.223 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.304 -14.583 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.108 -13.870 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.352 -15.623 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.199 -14.215 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.600 -14.397 -1.665 1.00 0.00 H new ATOM 883 N SER A 61 -8.787 -10.956 3.914 1.00 0.00 N ATOM 884 CA SER A 61 -8.634 -11.095 5.357 1.00 0.00 C ATOM 885 C SER A 61 -7.221 -11.547 5.713 1.00 0.00 C ATOM 886 O SER A 61 -6.437 -11.913 4.838 1.00 0.00 O ATOM 887 CB SER A 61 -9.655 -12.094 5.906 1.00 0.00 C ATOM 888 OG SER A 61 -9.704 -13.264 5.107 1.00 0.00 O ATOM 0 H SER A 61 -9.455 -11.604 3.497 1.00 0.00 H new ATOM 0 HA SER A 61 -8.810 -10.120 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.394 -12.360 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.641 -11.630 5.939 1.00 0.00 H new ATOM 0 HG SER A 61 -10.636 -13.467 4.881 1.00 0.00 H new ATOM 894 N ILE A 62 -6.905 -11.519 7.003 1.00 0.00 N ATOM 895 CA ILE A 62 -5.587 -11.926 7.475 1.00 0.00 C ATOM 896 C ILE A 62 -5.573 -13.402 7.857 1.00 0.00 C ATOM 897 O ILE A 62 -4.715 -14.162 7.408 1.00 0.00 O ATOM 898 CB ILE A 62 -5.140 -11.089 8.688 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.961 -9.624 8.286 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.849 -11.646 9.269 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.581 -8.723 9.440 1.00 0.00 C ATOM 0 H ILE A 62 -7.543 -11.219 7.740 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.891 -11.759 6.653 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.914 -11.144 9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.192 -9.558 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.888 -9.261 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.546 -11.044 10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.008 -12.676 9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.067 -11.618 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.471 -7.700 9.082 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.360 -8.759 10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.638 -9.060 9.870 1.00 0.00 H new ATOM 913 N SER A 63 -6.530 -13.802 8.688 1.00 0.00 N ATOM 914 CA SER A 63 -6.627 -15.188 9.133 1.00 0.00 C ATOM 915 C SER A 63 -7.700 -15.937 8.348 1.00 0.00 C ATOM 916 O SER A 63 -7.496 -17.075 7.929 1.00 0.00 O ATOM 917 CB SER A 63 -6.939 -15.245 10.629 1.00 0.00 C ATOM 918 OG SER A 63 -5.866 -14.725 11.395 1.00 0.00 O ATOM 0 H SER A 63 -7.249 -13.186 9.067 1.00 0.00 H new ATOM 0 HA SER A 63 -5.666 -15.670 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.846 -14.677 10.836 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.134 -16.276 10.924 1.00 0.00 H new ATOM 0 HG SER A 63 -6.092 -14.771 12.348 1.00 0.00 H new ATOM 924 N MET A 64 -8.843 -15.287 8.155 1.00 0.00 N ATOM 925 CA MET A 64 -9.949 -15.890 7.420 1.00 0.00 C ATOM 926 C MET A 64 -9.495 -16.356 6.040 1.00 0.00 C ATOM 927 O MET A 64 -10.195 -17.113 5.367 1.00 0.00 O ATOM 928 CB MET A 64 -11.101 -14.893 7.281 1.00 0.00 C ATOM 929 CG MET A 64 -11.917 -14.727 8.552 1.00 0.00 C ATOM 930 SD MET A 64 -11.250 -13.456 9.644 1.00 0.00 S ATOM 931 CE MET A 64 -11.885 -14.003 11.227 1.00 0.00 C ATOM 0 H MET A 64 -9.028 -14.344 8.497 1.00 0.00 H new ATOM 0 HA MET A 64 -10.295 -16.758 7.981 1.00 0.00 H new ATOM 0 HB2 MET A 64 -10.698 -13.923 6.988 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.759 -15.221 6.476 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.944 -14.473 8.289 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.950 -15.677 9.085 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.557 -13.316 12.007 1.00 0.00 H new ATOM 0 HE2 MET A 64 -12.974 -14.022 11.195 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.511 -15.004 11.443 1.00 0.00 H new ATOM 941 N THR A 65 -8.318 -15.899 5.623 1.00 0.00 N ATOM 942 CA THR A 65 -7.772 -16.267 4.323 1.00 0.00 C ATOM 943 C THR A 65 -6.310 -16.684 4.440 1.00 0.00 C ATOM 944 O THR A 65 -5.547 -16.104 5.213 1.00 0.00 O ATOM 945 CB THR A 65 -7.884 -15.106 3.317 1.00 0.00 C ATOM 946 OG1 THR A 65 -7.931 -15.619 1.981 1.00 0.00 O ATOM 947 CG2 THR A 65 -6.708 -14.152 3.459 1.00 0.00 C ATOM 0 H THR A 65 -7.725 -15.273 6.168 1.00 0.00 H new ATOM 0 HA THR A 65 -8.360 -17.110 3.960 1.00 0.00 H new ATOM 0 HB THR A 65 -8.803 -14.558 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.863 -15.783 1.726 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.809 -13.340 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.693 -13.741 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.779 -14.690 3.272 1.00 0.00 H new ATOM 955 N THR A 66 -5.924 -17.694 3.665 1.00 0.00 N ATOM 956 CA THR A 66 -4.553 -18.189 3.682 1.00 0.00 C ATOM 957 C THR A 66 -3.752 -17.628 2.512 1.00 0.00 C ATOM 958 O THR A 66 -4.198 -17.669 1.365 1.00 0.00 O ATOM 959 CB THR A 66 -4.511 -19.727 3.628 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.111 -20.275 4.807 1.00 0.00 O ATOM 961 CG2 THR A 66 -3.079 -20.225 3.504 1.00 0.00 C ATOM 0 H THR A 66 -6.542 -18.185 3.018 1.00 0.00 H new ATOM 0 HA THR A 66 -4.107 -17.854 4.618 1.00 0.00 H new ATOM 0 HB THR A 66 -5.070 -20.053 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.082 -21.254 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.074 -21.314 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.634 -19.830 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.501 -19.888 4.365 1.00 0.00 H new ATOM 969 N PHE A 67 -2.567 -17.106 2.809 1.00 0.00 N ATOM 970 CA PHE A 67 -1.703 -16.537 1.781 1.00 0.00 C ATOM 971 C PHE A 67 -0.532 -17.468 1.478 1.00 0.00 C ATOM 972 O PHE A 67 -0.054 -18.190 2.354 1.00 0.00 O ATOM 973 CB PHE A 67 -1.180 -15.169 2.224 1.00 0.00 C ATOM 974 CG PHE A 67 -2.268 -14.165 2.479 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.925 -14.130 3.698 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.635 -13.258 1.498 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.926 -13.207 3.936 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.635 -12.333 1.730 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.282 -12.308 2.950 1.00 0.00 C ATOM 0 H PHE A 67 -2.183 -17.065 3.753 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.293 -16.416 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.589 -15.291 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.510 -14.780 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.652 -14.832 4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.134 -13.274 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.429 -13.189 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.910 -11.630 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.065 -11.587 3.133 1.00 0.00 H new ATOM 989 N THR A 68 -0.074 -17.446 0.230 1.00 0.00 N ATOM 990 CA THR A 68 1.038 -18.288 -0.190 1.00 0.00 C ATOM 991 C THR A 68 2.366 -17.551 -0.058 1.00 0.00 C ATOM 992 O THR A 68 2.395 -16.332 0.111 1.00 0.00 O ATOM 993 CB THR A 68 0.868 -18.758 -1.648 1.00 0.00 C ATOM 994 OG1 THR A 68 2.088 -19.341 -2.120 1.00 0.00 O ATOM 995 CG2 THR A 68 0.473 -17.597 -2.548 1.00 0.00 C ATOM 0 H THR A 68 -0.457 -16.854 -0.507 1.00 0.00 H new ATOM 0 HA THR A 68 1.041 -19.158 0.467 1.00 0.00 H new ATOM 0 HB THR A 68 0.074 -19.505 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.971 -19.639 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.359 -17.953 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.471 -17.174 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.248 -16.831 -2.514 1.00 0.00 H new ATOM 1003 N GLN A 69 3.463 -18.298 -0.135 1.00 0.00 N ATOM 1004 CA GLN A 69 4.794 -17.714 -0.023 1.00 0.00 C ATOM 1005 C GLN A 69 4.866 -16.380 -0.758 1.00 0.00 C ATOM 1006 O GLN A 69 5.012 -15.327 -0.138 1.00 0.00 O ATOM 1007 CB GLN A 69 5.844 -18.675 -0.582 1.00 0.00 C ATOM 1008 CG GLN A 69 7.271 -18.297 -0.217 1.00 0.00 C ATOM 1009 CD GLN A 69 7.705 -18.874 1.116 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.457 -20.044 1.409 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.356 -18.054 1.932 1.00 0.00 N ATOM 0 H GLN A 69 3.456 -19.308 -0.274 1.00 0.00 H new ATOM 0 HA GLN A 69 4.999 -17.538 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.638 -19.680 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.752 -18.709 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.946 -18.647 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.358 -17.211 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.540 -17.092 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.672 -18.386 2.843 1.00 0.00 H new ATOM 1020 N GLN A 70 4.764 -16.433 -2.082 1.00 0.00 N ATOM 1021 CA GLN A 70 4.819 -15.227 -2.901 1.00 0.00 C ATOM 1022 C GLN A 70 3.965 -14.119 -2.296 1.00 0.00 C ATOM 1023 O GLN A 70 4.439 -13.003 -2.083 1.00 0.00 O ATOM 1024 CB GLN A 70 4.349 -15.530 -4.324 1.00 0.00 C ATOM 1025 CG GLN A 70 3.022 -16.270 -4.382 1.00 0.00 C ATOM 1026 CD GLN A 70 2.736 -16.849 -5.754 1.00 0.00 C ATOM 1027 OE1 GLN A 70 3.422 -17.765 -6.209 1.00 0.00 O ATOM 1028 NE2 GLN A 70 1.718 -16.318 -6.421 1.00 0.00 N ATOM 0 H GLN A 70 4.643 -17.297 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 70 5.854 -14.886 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.258 -14.594 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.110 -16.125 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.026 -17.074 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.218 -15.588 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.176 -15.560 -6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.478 -16.668 -7.348 1.00 0.00 H new ATOM 1037 N GLU A 71 2.703 -14.434 -2.021 1.00 0.00 N ATOM 1038 CA GLU A 71 1.782 -13.462 -1.441 1.00 0.00 C ATOM 1039 C GLU A 71 2.375 -12.835 -0.183 1.00 0.00 C ATOM 1040 O GLU A 71 2.316 -11.619 0.004 1.00 0.00 O ATOM 1041 CB GLU A 71 0.445 -14.128 -1.111 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.452 -14.326 -2.321 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.890 -14.618 -1.940 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.152 -15.719 -1.412 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.754 -13.746 -2.169 1.00 0.00 O ATOM 0 H GLU A 71 2.295 -15.353 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 71 1.615 -12.674 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.636 -15.096 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.082 -13.521 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.419 -13.431 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.066 -15.148 -2.924 1.00 0.00 H new ATOM 1052 N ILE A 72 2.945 -13.673 0.677 1.00 0.00 N ATOM 1053 CA ILE A 72 3.549 -13.200 1.916 1.00 0.00 C ATOM 1054 C ILE A 72 4.736 -12.285 1.636 1.00 0.00 C ATOM 1055 O ILE A 72 4.736 -11.117 2.025 1.00 0.00 O ATOM 1056 CB ILE A 72 4.018 -14.374 2.797 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.824 -15.238 3.209 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.752 -13.855 4.024 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.886 -14.551 4.176 1.00 0.00 C ATOM 0 H ILE A 72 3.001 -14.682 0.538 1.00 0.00 H new ATOM 0 HA ILE A 72 2.780 -12.640 2.448 1.00 0.00 H new ATOM 0 HB ILE A 72 4.707 -14.990 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.267 -15.524 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.191 -16.158 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.077 -14.696 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.621 -13.277 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.084 -13.219 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.064 -15.222 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.428 -14.290 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.489 -13.645 3.717 1.00 0.00 H new ATOM 1071 N GLU A 73 5.744 -12.823 0.957 1.00 0.00 N ATOM 1072 CA GLU A 73 6.937 -12.053 0.624 1.00 0.00 C ATOM 1073 C GLU A 73 6.561 -10.692 0.045 1.00 0.00 C ATOM 1074 O GLU A 73 7.003 -9.652 0.536 1.00 0.00 O ATOM 1075 CB GLU A 73 7.805 -12.822 -0.374 1.00 0.00 C ATOM 1076 CG GLU A 73 8.509 -14.024 0.232 1.00 0.00 C ATOM 1077 CD GLU A 73 9.859 -13.672 0.825 1.00 0.00 C ATOM 1078 OE1 GLU A 73 9.905 -12.803 1.721 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.870 -14.265 0.394 1.00 0.00 O ATOM 0 H GLU A 73 5.759 -13.788 0.627 1.00 0.00 H new ATOM 0 HA GLU A 73 7.504 -11.895 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.181 -13.157 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.552 -12.146 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.878 -14.457 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.641 -14.787 -0.535 1.00 0.00 H new ATOM 1086 N PHE A 74 5.744 -10.706 -1.003 1.00 0.00 N ATOM 1087 CA PHE A 74 5.310 -9.474 -1.651 1.00 0.00 C ATOM 1088 C PHE A 74 4.900 -8.430 -0.616 1.00 0.00 C ATOM 1089 O PHE A 74 5.344 -7.283 -0.665 1.00 0.00 O ATOM 1090 CB PHE A 74 4.142 -9.755 -2.598 1.00 0.00 C ATOM 1091 CG PHE A 74 3.253 -8.566 -2.824 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.613 -7.576 -3.724 1.00 0.00 C ATOM 1093 CD2 PHE A 74 2.058 -8.437 -2.135 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.797 -6.480 -3.934 1.00 0.00 C ATOM 1095 CE2 PHE A 74 1.238 -7.344 -2.341 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.608 -6.364 -3.240 1.00 0.00 C ATOM 0 H PHE A 74 5.369 -11.557 -1.422 1.00 0.00 H new ATOM 0 HA PHE A 74 6.148 -9.081 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.535 -10.092 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.546 -10.573 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.542 -7.662 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.764 -9.199 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.088 -5.716 -4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.308 -7.257 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.969 -5.508 -3.401 1.00 0.00 H new ATOM 1106 N LEU A 75 4.050 -8.837 0.320 1.00 0.00 N ATOM 1107 CA LEU A 75 3.578 -7.938 1.368 1.00 0.00 C ATOM 1108 C LEU A 75 4.747 -7.379 2.173 1.00 0.00 C ATOM 1109 O LEU A 75 4.981 -6.171 2.186 1.00 0.00 O ATOM 1110 CB LEU A 75 2.609 -8.671 2.298 1.00 0.00 C ATOM 1111 CG LEU A 75 1.134 -8.629 1.897 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.365 -9.755 2.572 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.524 -7.280 2.247 1.00 0.00 C ATOM 0 H LEU A 75 3.673 -9.783 0.375 1.00 0.00 H new ATOM 0 HA LEU A 75 3.057 -7.107 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.918 -9.714 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.705 -8.247 3.298 1.00 0.00 H new ATOM 0 HG LEU A 75 1.067 -8.766 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.683 -9.709 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.786 -10.714 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.440 -9.649 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.526 -7.269 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.603 -7.113 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.057 -6.491 1.717 1.00 0.00 H new ATOM 1125 N GLN A 76 5.478 -8.266 2.840 1.00 0.00 N ATOM 1126 CA GLN A 76 6.624 -7.860 3.645 1.00 0.00 C ATOM 1127 C GLN A 76 7.517 -6.895 2.873 1.00 0.00 C ATOM 1128 O GLN A 76 7.823 -5.801 3.347 1.00 0.00 O ATOM 1129 CB GLN A 76 7.430 -9.086 4.077 1.00 0.00 C ATOM 1130 CG GLN A 76 6.577 -10.320 4.324 1.00 0.00 C ATOM 1131 CD GLN A 76 7.203 -11.272 5.323 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.369 -10.937 6.497 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.554 -12.467 4.863 1.00 0.00 N ATOM 0 H GLN A 76 5.297 -9.270 2.839 1.00 0.00 H new ATOM 0 HA GLN A 76 6.250 -7.349 4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.169 -9.313 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.980 -8.847 4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.596 -10.012 4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.419 -10.842 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.398 -12.702 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.980 -13.150 5.490 1.00 0.00 H new ATOM 1142 N LYS A 77 7.934 -7.308 1.681 1.00 0.00 N ATOM 1143 CA LYS A 77 8.792 -6.481 0.841 1.00 0.00 C ATOM 1144 C LYS A 77 8.279 -5.045 0.786 1.00 0.00 C ATOM 1145 O LYS A 77 9.054 -4.105 0.604 1.00 0.00 O ATOM 1146 CB LYS A 77 8.869 -7.060 -0.573 1.00 0.00 C ATOM 1147 CG LYS A 77 9.433 -8.470 -0.623 1.00 0.00 C ATOM 1148 CD LYS A 77 10.949 -8.460 -0.731 1.00 0.00 C ATOM 1149 CE LYS A 77 11.470 -9.741 -1.365 1.00 0.00 C ATOM 1150 NZ LYS A 77 11.459 -9.668 -2.852 1.00 0.00 N ATOM 0 H LYS A 77 7.691 -8.212 1.275 1.00 0.00 H new ATOM 0 HA LYS A 77 9.790 -6.476 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.871 -7.061 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.487 -6.408 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.135 -9.014 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.010 -9.002 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.267 -7.603 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.385 -8.340 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.486 -9.931 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.859 -10.583 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.821 -10.560 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.486 -9.512 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.062 -8.881 -3.165 1.00 0.00 H new ATOM 1164 N HIS A 78 6.970 -4.883 0.946 1.00 0.00 N ATOM 1165 CA HIS A 78 6.354 -3.561 0.917 1.00 0.00 C ATOM 1166 C HIS A 78 5.945 -3.121 2.319 1.00 0.00 C ATOM 1167 O HIS A 78 6.598 -2.277 2.931 1.00 0.00 O ATOM 1168 CB HIS A 78 5.134 -3.564 -0.005 1.00 0.00 C ATOM 1169 CG HIS A 78 5.476 -3.373 -1.451 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.687 -4.424 -2.319 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.642 -2.245 -2.181 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.970 -3.951 -3.520 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.948 -2.631 -3.463 1.00 0.00 N ATOM 0 H HIS A 78 6.315 -5.650 1.097 1.00 0.00 H new ATOM 0 HA HIS A 78 7.089 -2.853 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.602 -4.508 0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.452 -2.773 0.306 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.633 -5.412 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.551 -1.230 -1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.183 -4.542 -4.398 1.00 0.00 H new ATOM 1181 N GLY A 79 4.858 -3.699 2.823 1.00 0.00 N ATOM 1182 CA GLY A 79 4.381 -3.353 4.149 1.00 0.00 C ATOM 1183 C GLY A 79 4.128 -1.867 4.304 1.00 0.00 C ATOM 1184 O GLY A 79 4.605 -1.062 3.505 1.00 0.00 O ATOM 0 H GLY A 79 4.300 -4.400 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.460 -3.899 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.113 -3.673 4.890 1.00 0.00 H new ATOM 1188 N ASN A 80 3.375 -1.501 5.336 1.00 0.00 N ATOM 1189 CA ASN A 80 3.058 -0.101 5.593 1.00 0.00 C ATOM 1190 C ASN A 80 4.329 0.716 5.802 1.00 0.00 C ATOM 1191 O ASN A 80 4.316 1.941 5.695 1.00 0.00 O ATOM 1192 CB ASN A 80 2.151 0.022 6.819 1.00 0.00 C ATOM 1193 CG ASN A 80 0.907 -0.837 6.707 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.801 -1.682 5.818 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.043 -0.623 7.610 1.00 0.00 N ATOM 0 H ASN A 80 2.973 -2.155 6.008 1.00 0.00 H new ATOM 0 HA ASN A 80 2.535 0.292 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.709 -0.266 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.859 1.064 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.904 -1.170 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.088 0.088 8.329 1.00 0.00 H new ATOM 1202 N GLU A 81 5.426 0.026 6.101 1.00 0.00 N ATOM 1203 CA GLU A 81 6.706 0.688 6.326 1.00 0.00 C ATOM 1204 C GLU A 81 6.996 1.701 5.222 1.00 0.00 C ATOM 1205 O GLU A 81 7.077 2.903 5.474 1.00 0.00 O ATOM 1206 CB GLU A 81 7.834 -0.344 6.395 1.00 0.00 C ATOM 1207 CG GLU A 81 9.218 0.273 6.504 1.00 0.00 C ATOM 1208 CD GLU A 81 10.291 -0.753 6.812 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.095 -1.555 7.748 1.00 0.00 O ATOM 1210 OE2 GLU A 81 11.328 -0.753 6.116 1.00 0.00 O ATOM 0 H GLU A 81 5.454 -0.989 6.193 1.00 0.00 H new ATOM 0 HA GLU A 81 6.650 1.218 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.667 -0.995 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.795 -0.973 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.461 0.778 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.212 1.033 7.285 1.00 0.00 H new ATOM 1217 N VAL A 82 7.151 1.206 3.999 1.00 0.00 N ATOM 1218 CA VAL A 82 7.432 2.067 2.856 1.00 0.00 C ATOM 1219 C VAL A 82 6.145 2.483 2.152 1.00 0.00 C ATOM 1220 O VAL A 82 6.003 3.628 1.721 1.00 0.00 O ATOM 1221 CB VAL A 82 8.356 1.369 1.841 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.689 1.018 2.485 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.685 0.126 1.276 1.00 0.00 C ATOM 0 H VAL A 82 7.087 0.213 3.774 1.00 0.00 H new ATOM 0 HA VAL A 82 7.934 2.953 3.244 1.00 0.00 H new ATOM 0 HB VAL A 82 8.547 2.057 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.329 0.526 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.174 1.929 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.521 0.348 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.352 -0.354 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.462 -0.568 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.759 0.408 0.775 1.00 0.00 H new ATOM 1233 N CYS A 83 5.209 1.546 2.040 1.00 0.00 N ATOM 1234 CA CYS A 83 3.933 1.815 1.388 1.00 0.00 C ATOM 1235 C CYS A 83 3.394 3.184 1.790 1.00 0.00 C ATOM 1236 O CYS A 83 3.296 4.092 0.964 1.00 0.00 O ATOM 1237 CB CYS A 83 2.916 0.729 1.743 1.00 0.00 C ATOM 1238 SG CYS A 83 2.938 -0.696 0.630 1.00 0.00 S ATOM 0 H CYS A 83 5.310 0.594 2.392 1.00 0.00 H new ATOM 0 HA CYS A 83 4.097 1.811 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.108 0.385 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.917 1.166 1.737 1.00 0.00 H new ATOM 0 HG CYS A 83 1.821 -0.746 -0.033 1.00 0.00 H new ATOM 1244 N LYS A 84 3.045 3.325 3.064 1.00 0.00 N ATOM 1245 CA LYS A 84 2.515 4.583 3.578 1.00 0.00 C ATOM 1246 C LYS A 84 3.302 5.769 3.028 1.00 0.00 C ATOM 1247 O LYS A 84 2.774 6.571 2.258 1.00 0.00 O ATOM 1248 CB LYS A 84 2.560 4.592 5.107 1.00 0.00 C ATOM 1249 CG LYS A 84 1.829 5.769 5.730 1.00 0.00 C ATOM 1250 CD LYS A 84 1.287 5.424 7.107 1.00 0.00 C ATOM 1251 CE LYS A 84 -0.008 4.630 7.012 1.00 0.00 C ATOM 1252 NZ LYS A 84 -1.145 5.476 6.555 1.00 0.00 N ATOM 0 H LYS A 84 3.120 2.583 3.760 1.00 0.00 H new ATOM 0 HA LYS A 84 1.479 4.673 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.124 3.665 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.600 4.608 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.506 6.619 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.008 6.073 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.030 4.847 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.113 6.340 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.126 3.798 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.243 4.201 7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.041 4.976 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.143 6.374 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.047 5.670 5.538 1.00 0.00 H new ATOM 1266 N GLN A 85 4.565 5.873 3.429 1.00 0.00 N ATOM 1267 CA GLN A 85 5.423 6.961 2.976 1.00 0.00 C ATOM 1268 C GLN A 85 5.275 7.181 1.474 1.00 0.00 C ATOM 1269 O GLN A 85 5.147 8.315 1.013 1.00 0.00 O ATOM 1270 CB GLN A 85 6.884 6.663 3.318 1.00 0.00 C ATOM 1271 CG GLN A 85 7.264 7.041 4.740 1.00 0.00 C ATOM 1272 CD GLN A 85 8.723 6.763 5.047 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.619 7.367 4.457 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.968 5.846 5.976 1.00 0.00 N ATOM 0 H GLN A 85 5.016 5.217 4.067 1.00 0.00 H new ATOM 0 HA GLN A 85 5.115 7.871 3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.074 5.600 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.528 7.201 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.059 8.100 4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.637 6.487 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.194 5.370 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.930 5.618 6.226 1.00 0.00 H new ATOM 1283 N ILE A 86 5.294 6.089 0.716 1.00 0.00 N ATOM 1284 CA ILE A 86 5.161 6.164 -0.733 1.00 0.00 C ATOM 1285 C ILE A 86 3.864 6.861 -1.132 1.00 0.00 C ATOM 1286 O ILE A 86 3.794 7.515 -2.172 1.00 0.00 O ATOM 1287 CB ILE A 86 5.196 4.764 -1.375 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.586 4.143 -1.219 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.808 4.845 -2.843 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.613 2.652 -1.475 1.00 0.00 C ATOM 0 H ILE A 86 5.400 5.143 1.082 1.00 0.00 H new ATOM 0 HA ILE A 86 6.009 6.744 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 86 4.474 4.127 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.274 4.634 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.951 4.337 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.837 3.848 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.800 5.251 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.508 5.494 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.629 2.279 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.951 2.150 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.279 2.451 -2.493 1.00 0.00 H new ATOM 1302 N TRP A 87 2.842 6.718 -0.296 1.00 0.00 N ATOM 1303 CA TRP A 87 1.547 7.335 -0.560 1.00 0.00 C ATOM 1304 C TRP A 87 1.447 8.700 0.113 1.00 0.00 C ATOM 1305 O TRP A 87 0.499 9.450 -0.119 1.00 0.00 O ATOM 1306 CB TRP A 87 0.417 6.428 -0.071 1.00 0.00 C ATOM 1307 CG TRP A 87 0.328 5.133 -0.822 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.730 3.904 -0.385 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.194 4.942 -2.141 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.490 2.959 -1.353 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.077 3.570 -2.440 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.750 5.794 -3.098 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.496 3.035 -3.655 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.164 5.262 -4.304 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.036 3.893 -4.574 1.00 0.00 C ATOM 0 H TRP A 87 2.885 6.181 0.570 1.00 0.00 H new ATOM 0 HA TRP A 87 1.452 7.473 -1.637 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.563 6.216 0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.531 6.959 -0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.172 3.704 0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.700 1.964 -1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.854 6.850 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.398 1.980 -3.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.594 5.912 -5.051 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.370 3.508 -5.526 1.00 0.00 H new ATOM 1326 N LEU A 88 2.431 9.016 0.948 1.00 0.00 N ATOM 1327 CA LEU A 88 2.454 10.291 1.656 1.00 0.00 C ATOM 1328 C LEU A 88 3.616 11.158 1.179 1.00 0.00 C ATOM 1329 O LEU A 88 3.936 12.176 1.791 1.00 0.00 O ATOM 1330 CB LEU A 88 2.561 10.059 3.164 1.00 0.00 C ATOM 1331 CG LEU A 88 1.639 8.986 3.745 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.308 9.296 5.196 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.367 8.871 2.918 1.00 0.00 C ATOM 0 H LEU A 88 3.223 8.407 1.151 1.00 0.00 H new ATOM 0 HA LEU A 88 1.522 10.814 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.591 9.790 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.354 11.001 3.672 1.00 0.00 H new ATOM 0 HG LEU A 88 2.159 8.029 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.651 8.522 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.228 9.326 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.808 10.262 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.277 8.103 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.157 9.827 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.622 8.601 1.893 1.00 0.00 H new ATOM 1345 N GLY A 89 4.243 10.746 0.081 1.00 0.00 N ATOM 1346 CA GLY A 89 5.360 11.497 -0.460 1.00 0.00 C ATOM 1347 C GLY A 89 5.203 12.992 -0.267 1.00 0.00 C ATOM 1348 O GLY A 89 6.067 13.645 0.319 1.00 0.00 O ATOM 0 H GLY A 89 3.997 9.906 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.282 11.167 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.458 11.280 -1.524 1.00 0.00 H new ATOM 1352 N LEU A 90 4.097 13.537 -0.761 1.00 0.00 N ATOM 1353 CA LEU A 90 3.828 14.966 -0.641 1.00 0.00 C ATOM 1354 C LEU A 90 3.325 15.311 0.757 1.00 0.00 C ATOM 1355 O LEU A 90 3.789 16.268 1.377 1.00 0.00 O ATOM 1356 CB LEU A 90 2.801 15.402 -1.687 1.00 0.00 C ATOM 1357 CG LEU A 90 3.333 15.609 -3.106 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.184 15.757 -4.091 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.245 16.826 -3.160 1.00 0.00 C ATOM 0 H LEU A 90 3.372 13.011 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 90 4.762 15.501 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.009 14.654 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.344 16.333 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 90 3.914 14.731 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.582 15.903 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.570 14.857 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.575 16.617 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.615 16.959 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.687 17.712 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.087 16.680 -2.484 1.00 0.00 H new ATOM 1371 N PHE A 91 2.374 14.523 1.248 1.00 0.00 N ATOM 1372 CA PHE A 91 1.809 14.743 2.574 1.00 0.00 C ATOM 1373 C PHE A 91 2.909 14.832 3.627 1.00 0.00 C ATOM 1374 O PHE A 91 3.566 13.839 3.940 1.00 0.00 O ATOM 1375 CB PHE A 91 0.836 13.617 2.931 1.00 0.00 C ATOM 1376 CG PHE A 91 0.076 13.862 4.203 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.888 14.855 4.270 1.00 0.00 C ATOM 1378 CD2 PHE A 91 0.326 13.099 5.333 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.590 15.082 5.439 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -0.372 13.322 6.504 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.330 14.315 6.558 1.00 0.00 C ATOM 0 H PHE A 91 1.979 13.727 0.748 1.00 0.00 H new ATOM 0 HA PHE A 91 1.269 15.690 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.127 13.487 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.391 12.683 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.093 15.459 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.075 12.322 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.340 15.858 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.168 12.720 7.377 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.875 14.492 7.474 1.00 0.00 H new ATOM 1391 N ASP A 92 3.105 16.029 4.170 1.00 0.00 N ATOM 1392 CA ASP A 92 4.125 16.249 5.189 1.00 0.00 C ATOM 1393 C ASP A 92 3.553 17.022 6.373 1.00 0.00 C ATOM 1394 O ASP A 92 4.236 17.852 6.974 1.00 0.00 O ATOM 1395 CB ASP A 92 5.313 17.008 4.595 1.00 0.00 C ATOM 1396 CG ASP A 92 6.249 16.102 3.818 1.00 0.00 C ATOM 1397 OD1 ASP A 92 7.106 15.452 4.452 1.00 0.00 O ATOM 1398 OD2 ASP A 92 6.124 16.044 2.577 1.00 0.00 O ATOM 0 H ASP A 92 2.571 16.862 3.921 1.00 0.00 H new ATOM 0 HA ASP A 92 4.465 15.276 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.945 17.795 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.867 17.496 5.397 1.00 0.00 H new ATOM 1403 N ASP A 93 2.296 16.744 6.702 1.00 0.00 N ATOM 1404 CA ASP A 93 1.632 17.413 7.815 1.00 0.00 C ATOM 1405 C ASP A 93 2.011 18.890 7.866 1.00 0.00 C ATOM 1406 O ASP A 93 2.311 19.427 8.932 1.00 0.00 O ATOM 1407 CB ASP A 93 1.996 16.734 9.137 1.00 0.00 C ATOM 1408 CG ASP A 93 0.948 16.956 10.209 1.00 0.00 C ATOM 1409 OD1 ASP A 93 -0.089 16.262 10.178 1.00 0.00 O ATOM 1410 OD2 ASP A 93 1.164 17.825 11.080 1.00 0.00 O ATOM 0 H ASP A 93 1.717 16.061 6.214 1.00 0.00 H new ATOM 0 HA ASP A 93 0.555 17.338 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.120 15.664 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.955 17.116 9.486 1.00 0.00 H new ATOM 1415 N ARG A 94 1.995 19.539 6.706 1.00 0.00 N ATOM 1416 CA ARG A 94 2.339 20.953 6.618 1.00 0.00 C ATOM 1417 C ARG A 94 1.119 21.788 6.242 1.00 0.00 C ATOM 1418 O ARG A 94 0.978 22.931 6.677 1.00 0.00 O ATOM 1419 CB ARG A 94 3.452 21.166 5.591 1.00 0.00 C ATOM 1420 CG ARG A 94 2.940 21.446 4.187 1.00 0.00 C ATOM 1421 CD ARG A 94 4.084 21.630 3.203 1.00 0.00 C ATOM 1422 NE ARG A 94 3.642 21.492 1.818 1.00 0.00 N ATOM 1423 CZ ARG A 94 2.915 22.406 1.184 1.00 0.00 C ATOM 1424 NH1 ARG A 94 2.551 23.518 1.807 1.00 0.00 N ATOM 1425 NH2 ARG A 94 2.552 22.208 -0.077 1.00 0.00 N ATOM 0 H ARG A 94 1.748 19.108 5.815 1.00 0.00 H new ATOM 0 HA ARG A 94 2.691 21.277 7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.078 21.998 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.087 20.280 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.306 20.623 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.320 22.342 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.529 22.615 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.862 20.895 3.410 1.00 0.00 H new ATOM 0 HE ARG A 94 3.906 20.648 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.829 23.674 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.993 24.218 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.831 21.354 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.994 22.910 -0.563 1.00 0.00 H new ATOM 1439 N SER A 95 0.239 21.208 5.432 1.00 0.00 N ATOM 1440 CA SER A 95 -0.968 21.899 4.994 1.00 0.00 C ATOM 1441 C SER A 95 -2.211 21.072 5.306 1.00 0.00 C ATOM 1442 O SER A 95 -3.084 21.502 6.060 1.00 0.00 O ATOM 1443 CB SER A 95 -0.898 22.190 3.494 1.00 0.00 C ATOM 1444 OG SER A 95 -0.574 21.021 2.762 1.00 0.00 O ATOM 0 H SER A 95 0.339 20.261 5.066 1.00 0.00 H new ATOM 0 HA SER A 95 -1.035 22.842 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.855 22.583 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.151 22.960 3.304 1.00 0.00 H new ATOM 0 HG SER A 95 -0.537 21.233 1.806 1.00 0.00 H new ATOM 1450 N SER A 96 -2.285 19.881 4.719 1.00 0.00 N ATOM 1451 CA SER A 96 -3.423 18.994 4.930 1.00 0.00 C ATOM 1452 C SER A 96 -3.265 18.208 6.229 1.00 0.00 C ATOM 1453 O SER A 96 -2.150 17.968 6.690 1.00 0.00 O ATOM 1454 CB SER A 96 -3.570 18.029 3.752 1.00 0.00 C ATOM 1455 OG SER A 96 -4.860 17.443 3.731 1.00 0.00 O ATOM 0 H SER A 96 -1.570 19.509 4.094 1.00 0.00 H new ATOM 0 HA SER A 96 -4.321 19.607 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.394 18.562 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.813 17.248 3.821 1.00 0.00 H new ATOM 0 HG SER A 96 -4.929 16.832 2.968 1.00 0.00 H new ATOM 1461 N ALA A 97 -4.391 17.811 6.813 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.379 17.050 8.056 1.00 0.00 C ATOM 1463 C ALA A 97 -5.159 15.748 7.911 1.00 0.00 C ATOM 1464 O ALA A 97 -6.001 15.614 7.023 1.00 0.00 O ATOM 1465 CB ALA A 97 -4.952 17.887 9.191 1.00 0.00 C ATOM 0 H ALA A 97 -5.323 18.004 6.445 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.344 16.798 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.937 17.307 10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.351 18.787 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.979 18.167 8.954 1.00 0.00 H new ATOM 1471 N ILE A 98 -4.872 14.791 8.787 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.547 13.500 8.756 1.00 0.00 C ATOM 1473 C ILE A 98 -7.044 13.656 8.997 1.00 0.00 C ATOM 1474 O ILE A 98 -7.482 14.372 9.899 1.00 0.00 O ATOM 1475 CB ILE A 98 -4.967 12.536 9.807 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.510 12.203 9.477 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.802 11.266 9.880 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.341 11.463 8.169 1.00 0.00 C ATOM 0 H ILE A 98 -4.176 14.886 9.527 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.383 13.083 7.763 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.997 13.024 10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.934 13.128 9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.092 11.600 10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.379 10.595 10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.825 11.519 10.157 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.801 10.773 8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.284 11.260 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.889 10.522 8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.729 12.073 7.353 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.851 12.970 8.175 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.313 13.014 8.280 1.00 0.00 C ATOM 1492 C PRO A 99 -9.825 12.308 9.531 1.00 0.00 C ATOM 1493 O PRO A 99 -9.057 12.010 10.446 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.782 12.280 7.022 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.653 11.375 6.668 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.399 12.097 7.078 1.00 0.00 C ATOM 0 HA PRO A 99 -9.686 14.035 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.696 11.717 7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.998 12.978 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.741 10.420 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.647 11.158 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.626 11.403 7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.979 12.673 6.253 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.126 12.042 9.564 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.741 11.369 10.702 1.00 0.00 C ATOM 1506 C ASP A 100 -12.089 9.925 10.356 1.00 0.00 C ATOM 1507 O ASP A 100 -12.404 9.609 9.209 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.999 12.118 11.146 1.00 0.00 C ATOM 1509 CG ASP A 100 -12.698 13.206 12.157 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -11.645 13.865 12.025 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.516 13.400 13.081 1.00 0.00 O ATOM 0 H ASP A 100 -11.776 12.282 8.815 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.022 11.364 11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.482 12.560 10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.706 11.410 11.578 1.00 0.00 H new ATOM 1516 N PHE A 101 -12.029 9.051 11.356 1.00 0.00 N ATOM 1517 CA PHE A 101 -12.336 7.640 11.157 1.00 0.00 C ATOM 1518 C PHE A 101 -13.764 7.326 11.595 1.00 0.00 C ATOM 1519 O PHE A 101 -14.483 6.589 10.921 1.00 0.00 O ATOM 1520 CB PHE A 101 -11.349 6.767 11.936 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.936 7.275 11.891 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.366 7.673 10.693 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -9.177 7.353 13.048 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -8.066 8.140 10.649 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.877 7.820 13.010 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.320 8.213 11.809 1.00 0.00 C ATOM 0 H PHE A 101 -11.771 9.296 12.312 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.245 7.421 10.093 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.672 6.706 12.975 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.376 5.754 11.534 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.944 7.618 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.606 7.045 13.990 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.634 8.448 9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.297 7.878 13.919 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.304 8.577 11.777 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.166 7.892 12.728 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.507 7.673 13.257 1.00 0.00 C ATOM 1538 C ARG A 102 -16.538 7.645 12.132 1.00 0.00 C ATOM 1539 O ARG A 102 -17.577 6.994 12.245 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.866 8.767 14.265 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.101 8.663 15.574 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.810 9.409 16.694 1.00 0.00 C ATOM 1543 NE ARG A 102 -15.391 10.806 16.773 1.00 0.00 N ATOM 1544 CZ ARG A 102 -16.068 11.740 17.429 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -17.192 11.429 18.062 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -15.623 12.990 17.455 1.00 0.00 N ATOM 0 H ARG A 102 -13.583 8.505 13.297 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.518 6.706 13.761 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.671 9.741 13.816 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.935 8.720 14.474 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.988 7.614 15.848 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.098 9.068 15.444 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.887 9.362 16.535 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.606 8.915 17.644 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.531 11.079 16.298 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.538 10.470 18.045 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.710 12.149 18.565 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.759 13.234 16.970 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.145 13.707 17.960 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.243 8.355 11.049 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.143 8.411 9.903 1.00 0.00 C ATOM 1562 C ASP A 103 -16.444 7.923 8.638 1.00 0.00 C ATOM 1563 O ASP A 103 -15.285 8.245 8.377 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.656 9.837 9.700 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.617 10.268 10.791 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.678 9.625 10.935 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.307 11.247 11.501 1.00 0.00 O ATOM 0 H ASP A 103 -15.388 8.900 10.940 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.989 7.754 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.810 10.524 9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.154 9.907 8.733 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.163 7.127 7.833 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.632 6.578 6.582 1.00 0.00 C ATOM 1574 C PRO A 104 -16.439 7.649 5.514 1.00 0.00 C ATOM 1575 O PRO A 104 -15.368 7.758 4.918 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.706 5.578 6.149 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.962 6.074 6.779 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.551 6.703 8.082 1.00 0.00 C ATOM 0 HA PRO A 104 -15.646 6.133 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.796 5.539 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.466 4.569 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.461 6.799 6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.665 5.257 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.189 7.548 8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.613 5.994 8.908 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.483 8.438 5.279 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.428 9.500 4.282 1.00 0.00 C ATOM 1588 C GLN A 105 -16.115 10.270 4.378 1.00 0.00 C ATOM 1589 O GLN A 105 -15.431 10.480 3.377 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.608 10.457 4.459 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.864 10.018 3.725 1.00 0.00 C ATOM 1592 CD GLN A 105 -19.770 10.233 2.227 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -18.685 10.449 1.686 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.909 10.175 1.548 1.00 0.00 N ATOM 0 H GLN A 105 -18.376 8.362 5.765 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.487 9.040 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.832 10.551 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.318 11.447 4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.047 8.962 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.719 10.570 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.786 9.993 2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.908 10.312 0.537 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.768 10.688 5.591 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.536 11.434 5.820 1.00 0.00 C ATOM 1605 C LYS A 106 -13.326 10.652 5.320 1.00 0.00 C ATOM 1606 O LYS A 106 -12.502 11.176 4.570 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.375 11.746 7.310 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.467 12.643 7.865 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.304 14.078 7.392 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.910 15.063 8.380 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.390 14.923 8.466 1.00 0.00 N ATOM 0 H LYS A 106 -16.323 10.523 6.431 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.597 12.369 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.366 10.811 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.408 12.223 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.442 12.265 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.445 12.613 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.245 14.300 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.780 14.198 6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.472 14.904 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.658 16.080 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.767 15.623 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.809 15.083 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.630 13.966 8.794 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.225 9.394 5.739 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.116 8.540 5.331 1.00 0.00 C ATOM 1627 C VAL A 107 -12.120 8.317 3.823 1.00 0.00 C ATOM 1628 O VAL A 107 -11.066 8.185 3.201 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.170 7.174 6.041 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.053 6.269 5.544 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.089 7.354 7.549 1.00 0.00 C ATOM 0 H VAL A 107 -13.897 8.944 6.360 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.198 9.054 5.617 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.122 6.699 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.107 5.309 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.161 6.114 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.089 6.735 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.129 6.379 8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.153 7.850 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.927 7.962 7.888 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.313 8.276 3.240 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.456 8.071 1.803 1.00 0.00 C ATOM 1643 C LYS A 108 -12.975 9.293 1.029 1.00 0.00 C ATOM 1644 O LYS A 108 -12.006 9.218 0.273 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.916 7.774 1.453 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.191 7.756 -0.041 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.673 7.592 -0.333 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.950 7.591 -1.828 1.00 0.00 C ATOM 1649 NZ LYS A 108 -18.309 8.112 -2.141 1.00 0.00 N ATOM 0 H LYS A 108 -14.195 8.382 3.740 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.840 7.218 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.194 6.809 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.553 8.523 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.831 8.682 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.635 6.941 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.030 6.660 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.230 8.401 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.202 8.199 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.852 6.577 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.459 8.095 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.024 7.517 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.394 9.089 -1.795 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.656 10.418 1.223 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.296 11.656 0.542 1.00 0.00 C ATOM 1665 C GLU A 109 -11.781 11.834 0.501 1.00 0.00 C ATOM 1666 O GLU A 109 -11.234 12.374 -0.460 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.943 12.854 1.240 1.00 0.00 C ATOM 1668 CG GLU A 109 -13.537 13.002 2.697 1.00 0.00 C ATOM 1669 CD GLU A 109 -13.973 14.327 3.292 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.522 15.379 2.792 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -14.765 14.312 4.258 1.00 0.00 O ATOM 0 H GLU A 109 -14.460 10.498 1.846 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.665 11.598 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.676 13.764 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.027 12.756 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.972 12.187 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.454 12.909 2.780 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.109 11.375 1.552 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.657 11.484 1.638 1.00 0.00 C ATOM 1680 C PHE A 110 -8.981 10.319 0.922 1.00 0.00 C ATOM 1681 O PHE A 110 -8.035 10.511 0.157 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.214 11.524 3.102 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.725 11.428 3.280 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.062 10.234 3.048 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -6.990 12.531 3.681 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.693 10.142 3.210 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.620 12.445 3.845 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.971 11.249 3.610 1.00 0.00 C ATOM 0 H PHE A 110 -11.546 10.924 2.356 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.357 12.411 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.567 12.450 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.690 10.704 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.622 9.365 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.492 13.469 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.188 9.206 3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.058 13.313 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.901 11.180 3.739 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.472 9.111 1.175 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.916 7.914 0.555 1.00 0.00 C ATOM 1700 C LEU A 111 -8.914 8.038 -0.966 1.00 0.00 C ATOM 1701 O LEU A 111 -8.094 7.424 -1.647 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.715 6.679 0.976 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.271 6.004 2.275 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.154 4.804 2.581 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.811 5.585 2.186 1.00 0.00 C ATOM 0 H LEU A 111 -10.254 8.935 1.805 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.886 7.806 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.762 6.965 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.662 5.945 0.172 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.373 6.722 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.824 4.336 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.188 5.131 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.084 4.083 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.512 5.107 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.683 4.884 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.190 6.464 2.014 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.838 8.838 -1.489 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.942 9.043 -2.929 1.00 0.00 C ATOM 1719 C GLN A 112 -8.785 9.894 -3.442 1.00 0.00 C ATOM 1720 O GLN A 112 -8.161 9.566 -4.451 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.274 9.711 -3.276 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.488 8.880 -2.894 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.795 9.544 -3.282 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -14.286 10.430 -2.582 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.366 9.118 -4.403 1.00 0.00 N ATOM 0 H GLN A 112 -10.524 9.354 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.896 8.068 -3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.330 10.675 -2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.303 9.911 -4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.423 7.905 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.479 8.704 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.924 8.381 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.247 9.528 -4.714 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.504 10.987 -2.741 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.422 11.885 -3.128 1.00 0.00 C ATOM 1736 C GLU A 113 -6.066 11.203 -2.969 1.00 0.00 C ATOM 1737 O GLU A 113 -5.046 11.705 -3.442 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.464 13.163 -2.287 1.00 0.00 C ATOM 1739 CG GLU A 113 -8.841 13.802 -2.220 1.00 0.00 C ATOM 1740 CD GLU A 113 -8.777 15.305 -2.030 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -7.912 15.771 -1.260 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.594 16.016 -2.653 1.00 0.00 O ATOM 0 H GLU A 113 -9.010 11.272 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.558 12.145 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.130 12.933 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.758 13.883 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.386 13.578 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.404 13.359 -1.398 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.062 10.056 -2.298 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.834 9.303 -2.076 1.00 0.00 C ATOM 1751 C LYS A 114 -4.792 8.058 -2.956 1.00 0.00 C ATOM 1752 O LYS A 114 -3.728 7.482 -3.184 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.715 8.904 -0.603 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.408 8.209 -0.265 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.530 7.376 1.000 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.205 7.288 1.740 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.398 7.155 3.211 1.00 0.00 N ATOM 0 H LYS A 114 -6.897 9.628 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.992 9.943 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.813 9.796 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.544 8.245 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.110 7.569 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.622 8.953 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.284 7.814 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.873 6.373 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.638 6.434 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.612 8.179 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.645 6.557 3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.361 8.096 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.323 6.719 3.402 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.956 7.647 -3.447 1.00 0.00 N ATOM 1772 CA TYR A 115 -6.052 6.470 -4.301 1.00 0.00 C ATOM 1773 C TYR A 115 -6.563 6.843 -5.690 1.00 0.00 C ATOM 1774 O TYR A 115 -5.962 6.483 -6.701 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.977 5.429 -3.668 1.00 0.00 C ATOM 1776 CG TYR A 115 -6.372 4.728 -2.473 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -5.060 4.273 -2.501 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -7.113 4.522 -1.316 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.504 3.631 -1.411 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.565 3.882 -0.221 1.00 0.00 C ATOM 1781 CZ TYR A 115 -5.260 3.439 -0.274 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.709 2.801 0.814 1.00 0.00 O ATOM 0 H TYR A 115 -6.846 8.112 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.053 6.045 -4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.903 5.916 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.241 4.685 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.465 4.423 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.135 4.868 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.483 3.282 -1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.155 3.730 0.671 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.373 2.747 1.533 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.676 7.569 -5.728 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.268 7.992 -6.991 1.00 0.00 C ATOM 1794 C GLU A 116 -7.439 9.098 -7.638 1.00 0.00 C ATOM 1795 O GLU A 116 -6.952 8.950 -8.759 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.702 8.478 -6.770 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.743 7.377 -6.888 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.114 7.076 -8.327 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.205 6.745 -9.117 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.313 7.170 -8.662 1.00 0.00 O ATOM 0 H GLU A 116 -8.185 7.876 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.282 7.133 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.775 8.931 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.928 9.259 -7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.362 6.470 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.639 7.669 -6.339 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.282 10.207 -6.923 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.511 11.339 -7.424 1.00 0.00 C ATOM 1809 C LYS A 117 -5.015 11.093 -7.262 1.00 0.00 C ATOM 1810 O LYS A 117 -4.203 11.609 -8.031 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.911 12.620 -6.689 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.408 12.752 -6.467 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.094 13.394 -7.661 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.603 13.222 -7.596 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.262 13.607 -8.875 1.00 0.00 N ATOM 0 H LYS A 117 -7.679 10.346 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.729 11.454 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.405 12.648 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.559 13.480 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.838 11.767 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.593 13.350 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.849 14.456 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.716 12.950 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.840 12.184 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.003 13.830 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.290 13.475 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.057 14.605 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.900 13.010 -9.646 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.655 10.300 -6.258 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.257 9.982 -5.996 1.00 0.00 C ATOM 1831 C LYS A 118 -2.436 11.254 -5.807 1.00 0.00 C ATOM 1832 O LYS A 118 -1.293 11.338 -6.255 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.676 9.155 -7.146 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.028 7.679 -7.071 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.719 6.965 -8.376 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.310 6.392 -8.378 1.00 0.00 C ATOM 1837 NZ LYS A 118 -0.729 6.353 -9.748 1.00 0.00 N ATOM 0 H LYS A 118 -5.314 9.865 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.210 9.399 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.037 9.559 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.591 9.262 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.471 7.212 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.087 7.568 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.440 6.162 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.831 7.660 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.672 6.994 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.327 5.385 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 0.274 6.625 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -0.811 5.390 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.243 7.016 -10.362 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.027 12.240 -5.140 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.350 13.507 -4.891 1.00 0.00 C ATOM 1853 C ARG A 119 -0.939 13.274 -4.360 1.00 0.00 C ATOM 1854 O ARG A 119 0.046 13.592 -5.028 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.149 14.349 -3.894 1.00 0.00 C ATOM 1856 CG ARG A 119 -2.942 15.846 -4.058 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.164 16.630 -3.608 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.055 18.049 -3.934 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.103 18.854 -4.075 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.331 18.381 -3.919 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.922 20.134 -4.373 1.00 0.00 N ATOM 0 H ARG A 119 -3.973 12.186 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.280 14.045 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.209 14.123 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.868 14.061 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.074 16.160 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.727 16.072 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.054 16.217 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.293 16.514 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.123 18.444 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.473 17.397 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.134 19.001 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.978 20.501 -4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.727 20.751 -4.481 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.849 12.719 -3.157 1.00 0.00 N ATOM 1876 CA TRP A 120 0.443 12.445 -2.537 1.00 0.00 C ATOM 1877 C TRP A 120 1.010 11.117 -3.027 1.00 0.00 C ATOM 1878 O TRP A 120 1.302 10.224 -2.230 1.00 0.00 O ATOM 1879 CB TRP A 120 0.306 12.424 -1.014 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.575 13.514 -0.482 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.200 14.786 -0.156 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.979 13.426 -0.212 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.286 15.494 0.300 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.389 14.683 0.274 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.929 12.409 -0.337 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.707 14.946 0.636 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.237 12.672 0.023 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.617 13.933 0.504 1.00 0.00 C ATOM 0 H TRP A 120 -1.654 12.450 -2.592 1.00 0.00 H new ATOM 0 HA TRP A 120 1.132 13.240 -2.822 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.096 11.459 -0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.295 12.515 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.803 15.178 -0.244 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.273 16.466 0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.646 11.435 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.001 15.916 1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.979 11.893 -0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.648 14.108 0.775 1.00 0.00 H new ATOM 1899 N TYR A 121 1.166 10.994 -4.340 1.00 0.00 N ATOM 1900 CA TYR A 121 1.697 9.773 -4.935 1.00 0.00 C ATOM 1901 C TYR A 121 3.151 9.961 -5.356 1.00 0.00 C ATOM 1902 O TYR A 121 3.473 10.852 -6.142 1.00 0.00 O ATOM 1903 CB TYR A 121 0.854 9.361 -6.143 1.00 0.00 C ATOM 1904 CG TYR A 121 1.451 8.222 -6.938 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.803 7.028 -6.322 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.662 8.340 -8.307 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.350 5.985 -7.044 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.207 7.301 -9.037 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.549 6.126 -8.401 1.00 0.00 C ATOM 1910 OH TYR A 121 3.092 5.089 -9.125 1.00 0.00 O ATOM 0 H TYR A 121 0.933 11.724 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 121 1.654 8.984 -4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.140 9.072 -5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.727 10.223 -6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.646 6.913 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.396 9.259 -8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.620 5.064 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.364 7.409 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 121 3.165 5.350 -10.067 1.00 0.00 H new ATOM 1920 N VAL A 122 4.028 9.113 -4.827 1.00 0.00 N ATOM 1921 CA VAL A 122 5.448 9.182 -5.147 1.00 0.00 C ATOM 1922 C VAL A 122 6.090 7.800 -5.102 1.00 0.00 C ATOM 1923 O VAL A 122 6.336 7.238 -4.035 1.00 0.00 O ATOM 1924 CB VAL A 122 6.197 10.117 -4.179 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.701 9.955 -4.337 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.781 11.562 -4.405 1.00 0.00 C ATOM 0 H VAL A 122 3.779 8.370 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 122 5.525 9.582 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 122 5.932 9.843 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.214 10.623 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.981 8.924 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.988 10.201 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.320 12.208 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.015 11.852 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.709 11.663 -4.236 1.00 0.00 H new ATOM 1936 N PRO A 123 6.370 7.238 -6.287 1.00 0.00 N ATOM 1937 CA PRO A 123 6.988 5.915 -6.409 1.00 0.00 C ATOM 1938 C PRO A 123 8.443 5.911 -5.954 1.00 0.00 C ATOM 1939 O PRO A 123 9.165 6.899 -6.090 1.00 0.00 O ATOM 1940 CB PRO A 123 6.896 5.618 -7.908 1.00 0.00 C ATOM 1941 CG PRO A 123 6.841 6.957 -8.557 1.00 0.00 C ATOM 1942 CD PRO A 123 6.104 7.852 -7.599 1.00 0.00 C ATOM 0 HA PRO A 123 6.492 5.174 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.758 5.047 -8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.009 5.028 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.844 7.337 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.327 6.905 -9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.470 8.878 -7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.037 7.884 -7.819 1.00 0.00 H new ATOM 1950 N PRO A 124 8.888 4.773 -5.400 1.00 0.00 N ATOM 1951 CA PRO A 124 10.261 4.613 -4.914 1.00 0.00 C ATOM 1952 C PRO A 124 11.277 4.571 -6.051 1.00 0.00 C ATOM 1953 O PRO A 124 12.417 5.008 -5.892 1.00 0.00 O ATOM 1954 CB PRO A 124 10.224 3.269 -4.181 1.00 0.00 C ATOM 1955 CG PRO A 124 9.104 2.521 -4.818 1.00 0.00 C ATOM 1956 CD PRO A 124 8.083 3.555 -5.206 1.00 0.00 C ATOM 0 HA PRO A 124 10.571 5.448 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.168 2.734 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.053 3.405 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.451 1.968 -5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.679 1.793 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.553 3.275 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.332 3.690 -4.428 1.00 0.00 H new ATOM 1964 N GLU A 125 10.856 4.044 -7.196 1.00 0.00 N ATOM 1965 CA GLU A 125 11.731 3.946 -8.358 1.00 0.00 C ATOM 1966 C GLU A 125 12.633 5.172 -8.465 1.00 0.00 C ATOM 1967 O GLU A 125 13.742 5.094 -8.993 1.00 0.00 O ATOM 1968 CB GLU A 125 10.903 3.796 -9.636 1.00 0.00 C ATOM 1969 CG GLU A 125 10.314 2.407 -9.821 1.00 0.00 C ATOM 1970 CD GLU A 125 11.379 1.333 -9.938 1.00 0.00 C ATOM 1971 OE1 GLU A 125 12.106 1.329 -10.954 1.00 0.00 O ATOM 1972 OE2 GLU A 125 11.484 0.498 -9.016 1.00 0.00 O ATOM 0 H GLU A 125 9.915 3.679 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 125 12.359 3.064 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.093 4.526 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.531 4.033 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.663 2.177 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.692 2.396 -10.716 1.00 0.00 H new ATOM 1979 N GLN A 126 12.149 6.302 -7.960 1.00 0.00 N ATOM 1980 CA GLN A 126 12.911 7.544 -8.000 1.00 0.00 C ATOM 1981 C GLN A 126 13.500 7.865 -6.630 1.00 0.00 C ATOM 1982 O GLN A 126 14.678 8.200 -6.513 1.00 0.00 O ATOM 1983 CB GLN A 126 12.023 8.697 -8.469 1.00 0.00 C ATOM 1984 CG GLN A 126 12.784 9.990 -8.717 1.00 0.00 C ATOM 1985 CD GLN A 126 13.625 10.409 -7.528 1.00 0.00 C ATOM 1986 OE1 GLN A 126 14.854 10.353 -7.572 1.00 0.00 O ATOM 1987 NE2 GLN A 126 12.966 10.832 -6.455 1.00 0.00 N ATOM 0 H GLN A 126 11.233 6.383 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 126 13.731 7.416 -8.707 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.515 8.403 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.251 8.877 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 126 13.428 9.867 -9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.076 10.784 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 126 11.946 10.862 -6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 126 13.480 11.127 -5.624 1.00 0.00 H new ATOM 1996 N ALA A 127 12.672 7.761 -5.596 1.00 0.00 N ATOM 1997 CA ALA A 127 13.111 8.039 -4.234 1.00 0.00 C ATOM 1998 C ALA A 127 14.248 7.109 -3.823 1.00 0.00 C ATOM 1999 O ALA A 127 15.336 7.561 -3.468 1.00 0.00 O ATOM 2000 CB ALA A 127 11.944 7.909 -3.266 1.00 0.00 C ATOM 0 H ALA A 127 11.693 7.486 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 127 13.484 9.063 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.287 8.119 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 127 11.163 8.619 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.545 6.896 -3.311 1.00 0.00 H new ATOM 2006 N LYS A 128 13.988 5.807 -3.874 1.00 0.00 N ATOM 2007 CA LYS A 128 14.988 4.811 -3.508 1.00 0.00 C ATOM 2008 C LYS A 128 15.601 4.173 -4.750 1.00 0.00 C ATOM 2009 O LYS A 128 14.936 4.025 -5.776 1.00 0.00 O ATOM 2010 CB LYS A 128 14.363 3.731 -2.623 1.00 0.00 C ATOM 2011 CG LYS A 128 15.351 2.671 -2.168 1.00 0.00 C ATOM 2012 CD LYS A 128 15.978 3.030 -0.831 1.00 0.00 C ATOM 2013 CE LYS A 128 17.283 3.789 -1.014 1.00 0.00 C ATOM 2014 NZ LYS A 128 17.822 4.286 0.282 1.00 0.00 N ATOM 0 H LYS A 128 13.092 5.417 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 128 15.779 5.315 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.920 4.203 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.552 3.249 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.843 1.710 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.133 2.555 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.281 3.636 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.162 2.121 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.018 3.138 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.122 4.631 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.712 4.798 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.131 4.927 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.000 3.481 0.916 1.00 0.00 H new ATOM 2028 N SER A 129 16.872 3.797 -4.651 1.00 0.00 N ATOM 2029 CA SER A 129 17.575 3.177 -5.768 1.00 0.00 C ATOM 2030 C SER A 129 16.633 2.291 -6.578 1.00 0.00 C ATOM 2031 O SER A 129 16.525 2.432 -7.796 1.00 0.00 O ATOM 2032 CB SER A 129 18.757 2.350 -5.259 1.00 0.00 C ATOM 2033 OG SER A 129 19.741 2.192 -6.267 1.00 0.00 O ATOM 0 H SER A 129 17.436 3.911 -3.809 1.00 0.00 H new ATOM 0 HA SER A 129 17.948 3.971 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 129 19.198 2.837 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 129 18.406 1.371 -4.932 1.00 0.00 H new ATOM 0 HG SER A 129 20.486 1.661 -5.916 1.00 0.00 H new ATOM 2039 N GLY A 130 15.953 1.377 -5.892 1.00 0.00 N ATOM 2040 CA GLY A 130 15.029 0.482 -6.563 1.00 0.00 C ATOM 2041 C GLY A 130 15.420 -0.975 -6.411 1.00 0.00 C ATOM 2042 O GLY A 130 16.027 -1.573 -7.299 1.00 0.00 O ATOM 0 H GLY A 130 16.026 1.241 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 130 14.027 0.630 -6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.987 0.735 -7.622 1.00 0.00 H new ATOM 2046 N PRO A 131 15.070 -1.568 -5.260 1.00 0.00 N ATOM 2047 CA PRO A 131 15.378 -2.971 -4.967 1.00 0.00 C ATOM 2048 C PRO A 131 14.566 -3.935 -5.824 1.00 0.00 C ATOM 2049 O PRO A 131 14.887 -5.120 -5.917 1.00 0.00 O ATOM 2050 CB PRO A 131 14.997 -3.117 -3.491 1.00 0.00 C ATOM 2051 CG PRO A 131 13.971 -2.062 -3.259 1.00 0.00 C ATOM 2052 CD PRO A 131 14.345 -0.915 -4.157 1.00 0.00 C ATOM 0 HA PRO A 131 16.420 -3.212 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 131 14.599 -4.110 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 131 15.862 -2.977 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 131 12.972 -2.431 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 131 13.960 -1.752 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 131 13.465 -0.381 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 131 14.971 -0.187 -3.640 1.00 0.00 H new ATOM 2060 N SER A 132 13.513 -3.419 -6.451 1.00 0.00 N ATOM 2061 CA SER A 132 12.653 -4.236 -7.299 1.00 0.00 C ATOM 2062 C SER A 132 11.955 -3.379 -8.350 1.00 0.00 C ATOM 2063 O SER A 132 12.020 -2.150 -8.309 1.00 0.00 O ATOM 2064 CB SER A 132 11.613 -4.970 -6.450 1.00 0.00 C ATOM 2065 OG SER A 132 12.214 -6.002 -5.688 1.00 0.00 O ATOM 0 H SER A 132 13.235 -2.440 -6.388 1.00 0.00 H new ATOM 0 HA SER A 132 13.278 -4.969 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.118 -4.263 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 132 10.843 -5.392 -7.096 1.00 0.00 H new ATOM 0 HG SER A 132 13.189 -5.946 -5.772 1.00 0.00 H new ATOM 2071 N SER A 133 11.287 -4.037 -9.293 1.00 0.00 N ATOM 2072 CA SER A 133 10.579 -3.336 -10.358 1.00 0.00 C ATOM 2073 C SER A 133 9.279 -2.730 -9.839 1.00 0.00 C ATOM 2074 O SER A 133 8.699 -3.214 -8.867 1.00 0.00 O ATOM 2075 CB SER A 133 10.283 -4.291 -11.516 1.00 0.00 C ATOM 2076 OG SER A 133 10.239 -3.597 -12.751 1.00 0.00 O ATOM 0 H SER A 133 11.221 -5.054 -9.341 1.00 0.00 H new ATOM 0 HA SER A 133 11.218 -2.529 -10.716 1.00 0.00 H new ATOM 0 HB2 SER A 133 11.049 -5.065 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.331 -4.793 -11.343 1.00 0.00 H new ATOM 0 HG SER A 133 10.050 -4.230 -13.475 1.00 0.00 H new ATOM 2082 N GLY A 134 8.826 -1.666 -10.495 1.00 0.00 N ATOM 2083 CA GLY A 134 7.597 -1.010 -10.087 1.00 0.00 C ATOM 2084 C GLY A 134 7.351 0.282 -10.841 1.00 0.00 C ATOM 2085 O GLY A 134 8.272 0.784 -11.484 1.00 0.00 O ATOM 0 H GLY A 134 9.288 -1.246 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.757 -1.686 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.638 -0.801 -9.018 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.713 0.307 8.546 1.00 0.00 ZN