USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1078 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 65 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00153) USER MOD Set 1.2: A 105 TYR OH : rot -177:sc= 0.399 USER MOD Set 2.1: A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.163) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.311 X(o=-0.32,f=-0.077) USER MOD Set 3.2: A 8 MET CE :methyl -172:sc=-0.00757 (180deg=-0.0342) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.45! K(o=-1.5!,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.984 K(o=-0.98,f=-6.2!) USER MOD Single : A 12 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.5) USER MOD Single : A 25 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.49) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.112 (180deg=-0.434) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= -2.22 (180deg=-4.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 49 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.4) USER MOD Single : A 50 MET CE :methyl 171:sc= -1.41 (180deg=-1.62) USER MOD Single : A 53 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 147:sc= -6.74! (180deg=-8.5!) USER MOD Single : A 71 CYS SG : rot 105:sc= -0.963! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.339 K(o=0.34,f=-3.1!) USER MOD Single : A 78 THR OG1 : rot -92:sc= -0.557 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= -2.11 (180deg=-2.25) USER MOD Single : A 92 GLN : amide:sc= -1.03 K(o=-1,f=-0.52) USER MOD Single : A 100 CYS SG : rot -160:sc= -0.115 USER MOD Single : A 104 GLN : amide:sc= -0.887 K(o=-0.89,f=-1.9!) USER MOD Single : A 107 GLN : amide:sc= -0.746 K(o=-0.75,f=-0.039) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -42:sc= 0.027 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 118 THR OG1 : rot 64:sc= 0.526 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 121:sc= -1.5! USER MOD Single : A 123 MET CE :methyl 173:sc= -11.8! (180deg=-12.1!) USER MOD Single : A 125 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.49) USER MOD Single : A 126 ASN : amide:sc=-0.00156 X(o=-0.0016,f=-0.023) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.459 24.552 9.328 1.00 0.00 N ATOM 2 CA ALA A 1 -5.037 24.369 8.937 1.00 0.00 C ATOM 3 C ALA A 1 -4.820 23.005 8.291 1.00 0.00 C ATOM 4 O ALA A 1 -4.001 22.207 8.752 1.00 0.00 O ATOM 5 CB ALA A 1 -4.133 24.530 10.151 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.581 25.488 9.765 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.063 24.483 8.484 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.730 23.814 10.009 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.783 25.135 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.094 24.394 9.851 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.262 25.528 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.395 23.784 10.901 1.00 0.00 H new ATOM 13 N ARG A 2 -5.557 22.741 7.215 1.00 0.00 N ATOM 14 CA ARG A 2 -5.445 21.473 6.505 1.00 0.00 C ATOM 15 C ARG A 2 -4.007 21.226 6.065 1.00 0.00 C ATOM 16 O ARG A 2 -3.390 20.233 6.453 1.00 0.00 O ATOM 17 CB ARG A 2 -6.376 21.458 5.291 1.00 0.00 C ATOM 18 CG ARG A 2 -7.083 20.129 5.086 1.00 0.00 C ATOM 19 CD ARG A 2 -8.555 20.322 4.759 1.00 0.00 C ATOM 20 NE ARG A 2 -9.350 19.142 5.090 1.00 0.00 N ATOM 21 CZ ARG A 2 -9.316 18.007 4.395 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.525 17.894 3.334 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.072 16.983 4.763 1.00 0.00 N ATOM 0 H ARG A 2 -6.237 23.389 6.817 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.740 20.675 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.123 22.244 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.799 21.695 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.599 19.580 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.986 19.522 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.938 21.182 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.664 20.546 3.698 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.967 19.190 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.940 18.679 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.503 17.022 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.680 17.065 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.047 16.113 4.231 1.00 0.00 H new ATOM 37 N GLN A 3 -3.481 22.139 5.260 1.00 0.00 N ATOM 38 CA GLN A 3 -2.112 22.032 4.765 1.00 0.00 C ATOM 39 C GLN A 3 -1.134 21.848 5.919 1.00 0.00 C ATOM 40 O GLN A 3 -0.186 21.069 5.826 1.00 0.00 O ATOM 41 CB GLN A 3 -1.744 23.281 3.957 1.00 0.00 C ATOM 42 CG GLN A 3 -0.297 23.305 3.492 1.00 0.00 C ATOM 43 CD GLN A 3 -0.165 23.204 1.985 1.00 0.00 C ATOM 44 OE1 GLN A 3 0.651 23.894 1.372 1.00 0.00 O ATOM 45 NE2 GLN A 3 -0.973 22.342 1.376 1.00 0.00 N ATOM 0 H GLN A 3 -3.982 22.965 4.934 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.048 21.158 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.397 23.345 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.936 24.165 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.175 24.227 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.243 22.480 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.634 21.790 1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.932 22.233 0.363 1.00 0.00 H new ATOM 54 N GLN A 4 -1.378 22.562 7.012 1.00 0.00 N ATOM 55 CA GLN A 4 -0.523 22.468 8.190 1.00 0.00 C ATOM 56 C GLN A 4 -0.467 21.030 8.691 1.00 0.00 C ATOM 57 O GLN A 4 0.578 20.560 9.145 1.00 0.00 O ATOM 58 CB GLN A 4 -1.036 23.390 9.297 1.00 0.00 C ATOM 59 CG GLN A 4 -0.062 23.549 10.454 1.00 0.00 C ATOM 60 CD GLN A 4 1.249 24.180 10.030 1.00 0.00 C ATOM 61 OE1 GLN A 4 1.475 25.373 10.243 1.00 0.00 O ATOM 62 NE2 GLN A 4 2.122 23.384 9.424 1.00 0.00 N ATOM 0 H GLN A 4 -2.159 23.211 7.107 1.00 0.00 H new ATOM 0 HA GLN A 4 0.483 22.782 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.247 24.372 8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.979 22.998 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.522 24.162 11.229 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.135 22.572 10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.894 22.402 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.021 23.754 9.115 1.00 0.00 H new ATOM 71 N GLU A 5 -1.594 20.332 8.596 1.00 0.00 N ATOM 72 CA GLU A 5 -1.672 18.940 9.029 1.00 0.00 C ATOM 73 C GLU A 5 -0.895 18.049 8.069 1.00 0.00 C ATOM 74 O GLU A 5 0.033 17.346 8.468 1.00 0.00 O ATOM 75 CB GLU A 5 -3.129 18.476 9.105 1.00 0.00 C ATOM 76 CG GLU A 5 -4.101 19.576 9.494 1.00 0.00 C ATOM 77 CD GLU A 5 -5.175 19.097 10.453 1.00 0.00 C ATOM 78 OE1 GLU A 5 -4.828 18.407 11.435 1.00 0.00 O ATOM 79 OE2 GLU A 5 -6.360 19.414 10.221 1.00 0.00 O ATOM 0 H GLU A 5 -2.466 20.707 8.223 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.232 18.866 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.422 18.070 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.205 17.664 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.550 20.397 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.573 19.973 8.595 1.00 0.00 H new ATOM 86 N ILE A 6 -1.269 18.106 6.795 1.00 0.00 N ATOM 87 CA ILE A 6 -0.599 17.326 5.761 1.00 0.00 C ATOM 88 C ILE A 6 0.900 17.568 5.817 1.00 0.00 C ATOM 89 O ILE A 6 1.692 16.651 6.037 1.00 0.00 O ATOM 90 CB ILE A 6 -1.101 17.714 4.354 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.581 17.377 4.197 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.274 17.032 3.273 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.475 18.584 4.340 1.00 0.00 C ATOM 0 H ILE A 6 -2.035 18.686 6.453 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.823 16.275 5.945 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.982 18.791 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.744 16.924 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.861 16.633 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.648 17.322 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.769 17.334 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.350 15.950 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.515 18.283 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.337 19.024 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.219 19.319 3.577 1.00 0.00 H new ATOM 105 N ASP A 7 1.268 18.824 5.612 1.00 0.00 N ATOM 106 CA ASP A 7 2.663 19.242 5.626 1.00 0.00 C ATOM 107 C ASP A 7 3.549 18.261 4.864 1.00 0.00 C ATOM 108 O ASP A 7 4.097 17.324 5.443 1.00 0.00 O ATOM 109 CB ASP A 7 3.159 19.386 7.067 1.00 0.00 C ATOM 110 CG ASP A 7 4.534 20.020 7.145 1.00 0.00 C ATOM 111 OD1 ASP A 7 5.261 19.987 6.131 1.00 0.00 O ATOM 112 OD2 ASP A 7 4.881 20.550 8.221 1.00 0.00 O ATOM 0 H ASP A 7 0.609 19.582 5.431 1.00 0.00 H new ATOM 0 HA ASP A 7 2.724 20.209 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.451 19.991 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.188 18.404 7.538 1.00 0.00 H new ATOM 117 N MET A 8 3.686 18.484 3.561 1.00 0.00 N ATOM 118 CA MET A 8 4.505 17.620 2.718 1.00 0.00 C ATOM 119 C MET A 8 5.946 18.121 2.666 1.00 0.00 C ATOM 120 O MET A 8 6.521 18.281 1.587 1.00 0.00 O ATOM 121 CB MET A 8 3.922 17.553 1.306 1.00 0.00 C ATOM 122 CG MET A 8 3.944 18.887 0.576 1.00 0.00 C ATOM 123 SD MET A 8 2.383 19.257 -0.247 1.00 0.00 S ATOM 124 CE MET A 8 1.383 19.778 1.146 1.00 0.00 C ATOM 0 H MET A 8 3.240 19.256 3.066 1.00 0.00 H new ATOM 0 HA MET A 8 4.504 16.620 3.151 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.482 16.821 0.725 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.894 17.196 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.172 19.681 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.746 18.879 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.349 19.905 0.825 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.429 19.022 1.930 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.761 20.725 1.532 1.00 0.00 H new ATOM 134 N LYS A 9 6.525 18.367 3.836 1.00 0.00 N ATOM 135 CA LYS A 9 7.898 18.850 3.924 1.00 0.00 C ATOM 136 C LYS A 9 8.884 17.686 3.949 1.00 0.00 C ATOM 137 O LYS A 9 9.983 17.779 3.402 1.00 0.00 O ATOM 138 CB LYS A 9 8.077 19.711 5.175 1.00 0.00 C ATOM 139 CG LYS A 9 7.659 21.159 4.982 1.00 0.00 C ATOM 140 CD LYS A 9 7.968 21.997 6.212 1.00 0.00 C ATOM 141 CE LYS A 9 6.844 22.974 6.519 1.00 0.00 C ATOM 142 NZ LYS A 9 6.874 24.159 5.618 1.00 0.00 N ATOM 0 H LYS A 9 6.064 18.240 4.737 1.00 0.00 H new ATOM 0 HA LYS A 9 8.101 19.456 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.495 19.279 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.123 19.681 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.176 21.576 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.591 21.205 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.126 21.342 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.896 22.547 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.885 22.466 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.923 23.304 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.092 24.800 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.779 24.659 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.773 23.847 4.631 1.00 0.00 H new ATOM 156 N ARG A 10 8.485 16.592 4.588 1.00 0.00 N ATOM 157 CA ARG A 10 9.336 15.411 4.686 1.00 0.00 C ATOM 158 C ARG A 10 9.427 14.691 3.342 1.00 0.00 C ATOM 159 O ARG A 10 8.830 15.122 2.356 1.00 0.00 O ATOM 160 CB ARG A 10 8.803 14.458 5.756 1.00 0.00 C ATOM 161 CG ARG A 10 7.399 13.953 5.470 1.00 0.00 C ATOM 162 CD ARG A 10 6.421 14.365 6.560 1.00 0.00 C ATOM 163 NE ARG A 10 6.960 14.136 7.899 1.00 0.00 N ATOM 164 CZ ARG A 10 6.948 12.956 8.512 1.00 0.00 C ATOM 165 NH1 ARG A 10 6.433 11.891 7.910 1.00 0.00 N ATOM 166 NH2 ARG A 10 7.455 12.838 9.732 1.00 0.00 N ATOM 0 H ARG A 10 7.578 16.498 5.046 1.00 0.00 H new ATOM 0 HA ARG A 10 10.336 15.738 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.477 13.606 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.809 14.966 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.060 14.343 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.413 12.866 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.174 15.420 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.492 13.806 6.443 1.00 0.00 H new ATOM 0 HE ARG A 10 7.370 14.929 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.043 11.975 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.427 10.989 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.854 13.652 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.446 11.933 10.203 1.00 0.00 H new ATOM 180 N GLN A 11 10.179 13.597 3.314 1.00 0.00 N ATOM 181 CA GLN A 11 10.352 12.819 2.092 1.00 0.00 C ATOM 182 C GLN A 11 9.179 11.864 1.880 1.00 0.00 C ATOM 183 O GLN A 11 8.471 11.515 2.824 1.00 0.00 O ATOM 184 CB GLN A 11 11.664 12.032 2.147 1.00 0.00 C ATOM 185 CG GLN A 11 12.776 12.646 1.310 1.00 0.00 C ATOM 186 CD GLN A 11 12.530 12.501 -0.180 1.00 0.00 C ATOM 187 OE1 GLN A 11 11.412 12.687 -0.657 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.579 12.165 -0.922 1.00 0.00 N ATOM 0 H GLN A 11 10.679 13.228 4.123 1.00 0.00 H new ATOM 0 HA GLN A 11 10.386 13.512 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.995 11.965 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.482 11.013 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.871 13.703 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.723 12.172 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.489 12.021 -0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.475 12.051 -1.930 1.00 0.00 H new ATOM 197 N GLN A 12 8.984 11.446 0.633 1.00 0.00 N ATOM 198 CA GLN A 12 7.900 10.532 0.289 1.00 0.00 C ATOM 199 C GLN A 12 8.443 9.264 -0.361 1.00 0.00 C ATOM 200 O GLN A 12 8.815 9.271 -1.535 1.00 0.00 O ATOM 201 CB GLN A 12 6.907 11.217 -0.651 1.00 0.00 C ATOM 202 CG GLN A 12 5.850 12.036 0.071 1.00 0.00 C ATOM 203 CD GLN A 12 6.432 13.238 0.788 1.00 0.00 C ATOM 204 OE1 GLN A 12 6.892 14.190 0.157 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.416 13.201 2.116 1.00 0.00 N ATOM 0 H GLN A 12 9.564 11.727 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 12 7.386 10.255 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.455 11.867 -1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.414 10.459 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.103 12.373 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.335 11.402 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.025 12.392 2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.795 13.981 2.653 1.00 0.00 H new ATOM 214 N ARG A 13 8.484 8.177 0.404 1.00 0.00 N ATOM 215 CA ARG A 13 8.980 6.904 -0.108 1.00 0.00 C ATOM 216 C ARG A 13 7.847 5.893 -0.241 1.00 0.00 C ATOM 217 O ARG A 13 7.073 5.683 0.693 1.00 0.00 O ATOM 218 CB ARG A 13 10.072 6.344 0.807 1.00 0.00 C ATOM 219 CG ARG A 13 11.058 7.390 1.302 1.00 0.00 C ATOM 220 CD ARG A 13 12.496 6.944 1.093 1.00 0.00 C ATOM 221 NE ARG A 13 13.053 7.456 -0.157 1.00 0.00 N ATOM 222 CZ ARG A 13 13.566 8.678 -0.297 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.593 9.516 0.733 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.052 9.061 -1.469 1.00 0.00 N ATOM 0 H ARG A 13 8.181 8.152 1.378 1.00 0.00 H new ATOM 0 HA ARG A 13 9.404 7.084 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.602 5.866 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.619 5.568 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.887 8.330 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.886 7.581 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.107 7.286 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.541 5.855 1.090 1.00 0.00 H new ATOM 0 HE ARG A 13 13.049 6.841 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.220 9.225 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.987 10.450 0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.033 8.421 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.445 9.996 -1.577 1.00 0.00 H new ATOM 238 N PHE A 14 7.758 5.269 -1.410 1.00 0.00 N ATOM 239 CA PHE A 14 6.721 4.277 -1.677 1.00 0.00 C ATOM 240 C PHE A 14 7.346 2.905 -1.898 1.00 0.00 C ATOM 241 O PHE A 14 8.342 2.780 -2.611 1.00 0.00 O ATOM 242 CB PHE A 14 5.902 4.685 -2.908 1.00 0.00 C ATOM 243 CG PHE A 14 5.614 6.160 -2.981 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.630 7.067 -3.243 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.330 6.640 -2.784 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.371 8.422 -3.304 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.063 7.995 -2.846 1.00 0.00 C ATOM 248 CZ PHE A 14 5.086 8.887 -3.106 1.00 0.00 C ATOM 0 H PHE A 14 8.393 5.433 -2.191 1.00 0.00 H new ATOM 0 HA PHE A 14 6.058 4.226 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.439 4.384 -3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.958 4.139 -2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.637 6.709 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.527 5.947 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.172 9.117 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.057 8.356 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.881 9.946 -3.154 1.00 0.00 H new ATOM 258 N PHE A 15 6.768 1.875 -1.284 1.00 0.00 N ATOM 259 CA PHE A 15 7.299 0.525 -1.431 1.00 0.00 C ATOM 260 C PHE A 15 6.194 -0.519 -1.556 1.00 0.00 C ATOM 261 O PHE A 15 5.081 -0.338 -1.058 1.00 0.00 O ATOM 262 CB PHE A 15 8.202 0.161 -0.249 1.00 0.00 C ATOM 263 CG PHE A 15 9.018 1.301 0.287 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.418 2.333 0.989 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.390 1.333 0.096 1.00 0.00 C ATOM 266 CE1 PHE A 15 9.173 3.375 1.492 1.00 0.00 C ATOM 267 CE2 PHE A 15 11.149 2.373 0.594 1.00 0.00 C ATOM 268 CZ PHE A 15 10.540 3.397 1.294 1.00 0.00 C ATOM 0 H PHE A 15 5.943 1.948 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 15 7.881 0.521 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.583 -0.236 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.876 -0.638 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.349 2.323 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.871 0.535 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.694 4.173 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.217 2.386 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.131 4.212 1.685 1.00 0.00 H new ATOM 278 N ARG A 16 6.531 -1.623 -2.216 1.00 0.00 N ATOM 279 CA ARG A 16 5.608 -2.733 -2.415 1.00 0.00 C ATOM 280 C ARG A 16 6.395 -4.041 -2.485 1.00 0.00 C ATOM 281 O ARG A 16 7.500 -4.074 -3.027 1.00 0.00 O ATOM 282 CB ARG A 16 4.784 -2.516 -3.695 1.00 0.00 C ATOM 283 CG ARG A 16 4.112 -3.771 -4.241 1.00 0.00 C ATOM 284 CD ARG A 16 4.568 -4.075 -5.663 1.00 0.00 C ATOM 285 NE ARG A 16 5.051 -5.445 -5.806 1.00 0.00 N ATOM 286 CZ ARG A 16 5.769 -5.870 -6.844 1.00 0.00 C ATOM 287 NH1 ARG A 16 6.093 -5.034 -7.822 1.00 0.00 N ATOM 288 NH2 ARG A 16 6.163 -7.133 -6.901 1.00 0.00 N ATOM 0 H ARG A 16 7.452 -1.772 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 16 4.915 -2.786 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.017 -1.768 -3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.436 -2.105 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.342 -4.618 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.030 -3.642 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.739 -3.910 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.360 -3.381 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 16 4.826 -6.114 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.792 -4.060 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.643 -5.365 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.916 -7.778 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.713 -7.460 -7.695 1.00 0.00 H new ATOM 302 N ILE A 17 5.837 -5.112 -1.928 1.00 0.00 N ATOM 303 CA ILE A 17 6.520 -6.401 -1.934 1.00 0.00 C ATOM 304 C ILE A 17 5.552 -7.558 -2.172 1.00 0.00 C ATOM 305 O ILE A 17 4.470 -7.607 -1.586 1.00 0.00 O ATOM 306 CB ILE A 17 7.291 -6.653 -0.616 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.650 -5.900 0.557 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.746 -6.244 -0.778 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.490 -5.913 1.821 1.00 0.00 C ATOM 0 H ILE A 17 4.925 -5.114 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 17 7.231 -6.358 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 17 7.243 -7.719 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.472 -4.866 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.677 -6.342 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.281 -6.425 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.202 -6.829 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.800 -5.184 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.974 -5.362 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.647 -6.942 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.454 -5.444 1.622 1.00 0.00 H new ATOM 321 N PRO A 18 5.934 -8.512 -3.045 1.00 0.00 N ATOM 322 CA PRO A 18 5.117 -9.674 -3.368 1.00 0.00 C ATOM 323 C PRO A 18 5.435 -10.870 -2.478 1.00 0.00 C ATOM 324 O PRO A 18 6.446 -11.546 -2.673 1.00 0.00 O ATOM 325 CB PRO A 18 5.534 -9.961 -4.804 1.00 0.00 C ATOM 326 CG PRO A 18 6.982 -9.597 -4.852 1.00 0.00 C ATOM 327 CD PRO A 18 7.204 -8.534 -3.796 1.00 0.00 C ATOM 0 HA PRO A 18 4.051 -9.495 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.379 -11.009 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.952 -9.370 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.606 -10.470 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.254 -9.223 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.046 -8.782 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.420 -7.564 -4.244 1.00 0.00 H new ATOM 335 N PHE A 19 4.573 -11.134 -1.504 1.00 0.00 N ATOM 336 CA PHE A 19 4.777 -12.256 -0.595 1.00 0.00 C ATOM 337 C PHE A 19 3.580 -13.197 -0.615 1.00 0.00 C ATOM 338 O PHE A 19 2.444 -12.772 -0.829 1.00 0.00 O ATOM 339 CB PHE A 19 5.027 -11.754 0.828 1.00 0.00 C ATOM 340 CG PHE A 19 3.896 -10.939 1.386 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.714 -11.547 1.777 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.015 -9.565 1.519 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.672 -10.799 2.290 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.977 -8.813 2.034 1.00 0.00 C ATOM 345 CZ PHE A 19 1.804 -9.430 2.419 1.00 0.00 C ATOM 0 H PHE A 19 3.730 -10.590 -1.323 1.00 0.00 H new ATOM 0 HA PHE A 19 5.654 -12.808 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.204 -12.609 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.936 -11.153 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.606 -12.617 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.930 -9.076 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.755 -11.284 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.083 -7.743 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.991 -8.844 2.820 1.00 0.00 H new ATOM 355 N ILE A 20 3.842 -14.481 -0.394 1.00 0.00 N ATOM 356 CA ILE A 20 2.787 -15.485 -0.387 1.00 0.00 C ATOM 357 C ILE A 20 2.281 -15.735 1.026 1.00 0.00 C ATOM 358 O ILE A 20 3.029 -15.619 1.996 1.00 0.00 O ATOM 359 CB ILE A 20 3.268 -16.822 -0.990 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.225 -16.568 -2.152 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.081 -17.655 -1.450 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.774 -17.833 -2.773 1.00 0.00 C ATOM 0 H ILE A 20 4.776 -14.850 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 20 1.977 -15.092 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 20 3.801 -17.378 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.707 -15.992 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.056 -15.956 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.438 -18.594 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.431 -17.863 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.522 -17.105 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.446 -17.575 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.321 -18.400 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.951 -18.437 -3.156 1.00 0.00 H new ATOM 374 N ARG A 21 1.006 -16.084 1.131 1.00 0.00 N ATOM 375 CA ARG A 21 0.396 -16.355 2.427 1.00 0.00 C ATOM 376 C ARG A 21 0.907 -17.677 2.998 1.00 0.00 C ATOM 377 O ARG A 21 0.923 -18.693 2.306 1.00 0.00 O ATOM 378 CB ARG A 21 -1.125 -16.386 2.299 1.00 0.00 C ATOM 379 CG ARG A 21 -1.814 -15.318 3.127 1.00 0.00 C ATOM 380 CD ARG A 21 -3.320 -15.488 3.108 1.00 0.00 C ATOM 381 NE ARG A 21 -3.818 -16.102 4.336 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.109 -16.223 4.635 1.00 0.00 C ATOM 383 NH1 ARG A 21 -6.035 -15.773 3.799 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.474 -16.798 5.773 1.00 0.00 N ATOM 0 H ARG A 21 0.375 -16.186 0.337 1.00 0.00 H new ATOM 0 HA ARG A 21 0.674 -15.555 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.398 -16.258 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.489 -17.366 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.454 -15.364 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.553 -14.332 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.793 -14.515 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.604 -16.103 2.254 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.135 -16.459 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.759 -15.332 2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.023 -15.868 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.765 -17.147 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.463 -16.891 6.003 1.00 0.00 H new ATOM 398 N PRO A 22 1.338 -17.679 4.276 1.00 0.00 N ATOM 399 CA PRO A 22 1.856 -18.879 4.942 1.00 0.00 C ATOM 400 C PRO A 22 1.068 -20.142 4.601 1.00 0.00 C ATOM 401 O PRO A 22 1.614 -21.107 4.057 1.00 0.00 O ATOM 402 CB PRO A 22 1.702 -18.534 6.420 1.00 0.00 C ATOM 403 CG PRO A 22 1.886 -17.058 6.478 1.00 0.00 C ATOM 404 CD PRO A 22 1.353 -16.508 5.178 1.00 0.00 C ATOM 0 HA PRO A 22 2.877 -19.108 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.722 -18.827 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.444 -19.051 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.351 -16.633 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.938 -16.803 6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.356 -16.086 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.989 -15.713 4.790 1.00 0.00 H new ATOM 412 N ALA A 23 -0.217 -20.124 4.927 1.00 0.00 N ATOM 413 CA ALA A 23 -1.099 -21.255 4.675 1.00 0.00 C ATOM 414 C ALA A 23 -0.917 -21.814 3.271 1.00 0.00 C ATOM 415 O ALA A 23 -0.696 -23.011 3.087 1.00 0.00 O ATOM 416 CB ALA A 23 -2.547 -20.845 4.893 1.00 0.00 C ATOM 0 H ALA A 23 -0.676 -19.329 5.372 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.835 -22.044 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.199 -21.697 4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.679 -20.510 5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.802 -20.033 4.212 1.00 0.00 H new ATOM 422 N ASP A 24 -1.032 -20.938 2.288 1.00 0.00 N ATOM 423 CA ASP A 24 -0.907 -21.330 0.886 1.00 0.00 C ATOM 424 C ASP A 24 0.484 -21.877 0.559 1.00 0.00 C ATOM 425 O ASP A 24 0.624 -22.774 -0.275 1.00 0.00 O ATOM 426 CB ASP A 24 -1.222 -20.140 -0.026 1.00 0.00 C ATOM 427 CG ASP A 24 -2.412 -19.334 0.457 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.351 -19.938 1.019 1.00 0.00 O ATOM 429 OD2 ASP A 24 -2.407 -18.098 0.274 1.00 0.00 O ATOM 0 H ASP A 24 -1.213 -19.944 2.431 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.626 -22.130 0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.348 -19.491 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.419 -20.502 -1.035 1.00 0.00 H new ATOM 434 N GLN A 25 1.508 -21.329 1.206 1.00 0.00 N ATOM 435 CA GLN A 25 2.886 -21.759 0.957 1.00 0.00 C ATOM 436 C GLN A 25 3.066 -23.247 1.222 1.00 0.00 C ATOM 437 O GLN A 25 3.492 -23.996 0.341 1.00 0.00 O ATOM 438 CB GLN A 25 3.871 -20.970 1.823 1.00 0.00 C ATOM 439 CG GLN A 25 3.485 -19.518 2.025 1.00 0.00 C ATOM 440 CD GLN A 25 4.688 -18.604 2.149 1.00 0.00 C ATOM 441 OE1 GLN A 25 4.802 -17.835 3.103 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.592 -18.683 1.180 1.00 0.00 N ATOM 0 H GLN A 25 1.414 -20.590 1.903 1.00 0.00 H new ATOM 0 HA GLN A 25 3.093 -21.564 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.951 -21.453 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.859 -21.013 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.870 -19.190 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.873 -19.431 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.456 -19.335 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.422 -18.091 1.208 1.00 0.00 H new ATOM 451 N TYR A 26 2.754 -23.670 2.438 1.00 0.00 N ATOM 452 CA TYR A 26 2.903 -25.078 2.806 1.00 0.00 C ATOM 453 C TYR A 26 1.680 -25.899 2.400 1.00 0.00 C ATOM 454 O TYR A 26 1.693 -27.127 2.499 1.00 0.00 O ATOM 455 CB TYR A 26 3.170 -25.242 4.307 1.00 0.00 C ATOM 456 CG TYR A 26 2.497 -24.208 5.178 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.209 -24.410 5.658 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.150 -23.032 5.522 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.592 -23.468 6.455 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.540 -22.085 6.319 1.00 0.00 C ATOM 461 CZ TYR A 26 1.260 -22.306 6.784 1.00 0.00 C ATOM 462 OH TYR A 26 0.647 -21.365 7.579 1.00 0.00 O ATOM 0 H TYR A 26 2.400 -23.069 3.182 1.00 0.00 H new ATOM 0 HA TYR A 26 3.767 -25.455 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.837 -26.232 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.246 -25.199 4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.683 -25.318 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.152 -22.855 5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.410 -23.639 6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.062 -21.175 6.577 1.00 0.00 H new ATOM 0 HH TYR A 26 1.317 -20.732 7.913 1.00 0.00 H new ATOM 472 N LYS A 27 0.630 -25.228 1.935 1.00 0.00 N ATOM 473 CA LYS A 27 -0.579 -25.924 1.510 1.00 0.00 C ATOM 474 C LYS A 27 -0.355 -26.617 0.173 1.00 0.00 C ATOM 475 O LYS A 27 -0.767 -27.760 -0.022 1.00 0.00 O ATOM 476 CB LYS A 27 -1.754 -24.949 1.407 1.00 0.00 C ATOM 477 CG LYS A 27 -2.621 -24.908 2.655 1.00 0.00 C ATOM 478 CD LYS A 27 -3.333 -23.574 2.794 1.00 0.00 C ATOM 479 CE LYS A 27 -4.764 -23.650 2.289 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.603 -24.546 3.130 1.00 0.00 N ATOM 0 H LYS A 27 0.592 -24.213 1.844 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.818 -26.679 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.369 -23.949 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.373 -25.227 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.356 -25.712 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.003 -25.085 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.331 -23.267 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.790 -22.811 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.199 -22.650 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.767 -24.010 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.601 -24.266 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.491 -25.529 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.304 -24.470 4.123 1.00 0.00 H new ATOM 494 N ASP A 28 0.305 -25.917 -0.746 1.00 0.00 N ATOM 495 CA ASP A 28 0.589 -26.470 -2.065 1.00 0.00 C ATOM 496 C ASP A 28 1.500 -25.539 -2.866 1.00 0.00 C ATOM 497 O ASP A 28 1.331 -24.320 -2.841 1.00 0.00 O ATOM 498 CB ASP A 28 -0.715 -26.711 -2.829 1.00 0.00 C ATOM 499 CG ASP A 28 -1.207 -28.139 -2.695 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.590 -29.040 -3.302 1.00 0.00 O ATOM 501 OD2 ASP A 28 -2.211 -28.358 -1.984 1.00 0.00 O ATOM 0 H ASP A 28 0.652 -24.969 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 28 1.105 -27.420 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.481 -26.029 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.564 -26.479 -3.883 1.00 0.00 H new ATOM 506 N PRO A 29 2.482 -26.106 -3.595 1.00 0.00 N ATOM 507 CA PRO A 29 3.418 -25.320 -4.408 1.00 0.00 C ATOM 508 C PRO A 29 2.745 -24.692 -5.623 1.00 0.00 C ATOM 509 O PRO A 29 3.240 -23.711 -6.181 1.00 0.00 O ATOM 510 CB PRO A 29 4.460 -26.347 -4.846 1.00 0.00 C ATOM 511 CG PRO A 29 3.737 -27.643 -4.821 1.00 0.00 C ATOM 512 CD PRO A 29 2.755 -27.552 -3.688 1.00 0.00 C ATOM 0 HA PRO A 29 3.836 -24.482 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.842 -26.125 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.316 -26.357 -4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.225 -27.822 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.429 -28.472 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.848 -28.121 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.173 -27.944 -2.760 1.00 0.00 H new ATOM 520 N GLN A 30 1.614 -25.259 -6.028 1.00 0.00 N ATOM 521 CA GLN A 30 0.871 -24.753 -7.175 1.00 0.00 C ATOM 522 C GLN A 30 -0.273 -23.853 -6.722 1.00 0.00 C ATOM 523 O GLN A 30 -0.643 -22.905 -7.413 1.00 0.00 O ATOM 524 CB GLN A 30 0.324 -25.913 -8.010 1.00 0.00 C ATOM 525 CG GLN A 30 1.408 -26.781 -8.629 1.00 0.00 C ATOM 526 CD GLN A 30 0.846 -27.833 -9.567 1.00 0.00 C ATOM 527 OE1 GLN A 30 -0.368 -28.015 -9.658 1.00 0.00 O ATOM 528 NE2 GLN A 30 1.729 -28.530 -10.272 1.00 0.00 N ATOM 0 H GLN A 30 1.191 -26.071 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 30 1.553 -24.166 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.312 -26.535 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.307 -25.513 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.107 -26.148 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.973 -27.271 -7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.727 -28.346 -10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.410 -29.250 -10.921 1.00 0.00 H new ATOM 537 N ASN A 31 -0.827 -24.157 -5.552 1.00 0.00 N ATOM 538 CA ASN A 31 -1.928 -23.378 -5.000 1.00 0.00 C ATOM 539 C ASN A 31 -1.424 -22.405 -3.940 1.00 0.00 C ATOM 540 O ASN A 31 -2.041 -22.239 -2.888 1.00 0.00 O ATOM 541 CB ASN A 31 -2.987 -24.305 -4.401 1.00 0.00 C ATOM 542 CG ASN A 31 -3.919 -24.872 -5.454 1.00 0.00 C ATOM 543 OD1 ASN A 31 -4.789 -24.171 -5.970 1.00 0.00 O ATOM 544 ND2 ASN A 31 -3.742 -26.149 -5.776 1.00 0.00 N ATOM 0 H ASN A 31 -0.530 -24.939 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.378 -22.804 -5.810 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.495 -25.124 -3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.570 -23.757 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.340 -26.586 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.008 -26.692 -5.322 1.00 0.00 H new ATOM 551 N LYS A 32 -0.299 -21.760 -4.229 1.00 0.00 N ATOM 552 CA LYS A 32 0.290 -20.794 -3.303 1.00 0.00 C ATOM 553 C LYS A 32 -0.008 -19.368 -3.757 1.00 0.00 C ATOM 554 O LYS A 32 0.901 -18.588 -4.036 1.00 0.00 O ATOM 555 CB LYS A 32 1.804 -21.008 -3.175 1.00 0.00 C ATOM 556 CG LYS A 32 2.430 -21.741 -4.351 1.00 0.00 C ATOM 557 CD LYS A 32 2.344 -20.920 -5.629 1.00 0.00 C ATOM 558 CE LYS A 32 3.726 -20.595 -6.175 1.00 0.00 C ATOM 559 NZ LYS A 32 3.660 -19.722 -7.381 1.00 0.00 N ATOM 0 H LYS A 32 0.224 -21.887 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.160 -20.949 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.289 -20.038 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.005 -21.569 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.474 -21.963 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.925 -22.696 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.775 -21.470 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.802 -19.995 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.314 -20.101 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.243 -21.521 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.623 -19.525 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.121 -20.203 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.190 -18.827 -7.137 1.00 0.00 H new ATOM 573 N LYS A 33 -1.298 -19.045 -3.831 1.00 0.00 N ATOM 574 CA LYS A 33 -1.759 -17.720 -4.255 1.00 0.00 C ATOM 575 C LYS A 33 -0.839 -16.612 -3.744 1.00 0.00 C ATOM 576 O LYS A 33 -0.711 -16.400 -2.538 1.00 0.00 O ATOM 577 CB LYS A 33 -3.187 -17.478 -3.761 1.00 0.00 C ATOM 578 CG LYS A 33 -4.188 -18.517 -4.247 1.00 0.00 C ATOM 579 CD LYS A 33 -4.378 -18.449 -5.754 1.00 0.00 C ATOM 580 CE LYS A 33 -4.579 -19.830 -6.355 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.652 -20.590 -5.655 1.00 0.00 N ATOM 0 H LYS A 33 -2.053 -19.691 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.740 -17.696 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.188 -17.468 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.513 -16.491 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.844 -19.513 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.146 -18.360 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.239 -17.822 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.508 -17.976 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.832 -19.733 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.645 -20.389 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.935 -21.406 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.298 -20.925 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.474 -19.971 -5.504 1.00 0.00 H new ATOM 595 N LYS A 34 -0.196 -15.913 -4.676 1.00 0.00 N ATOM 596 CA LYS A 34 0.718 -14.828 -4.331 1.00 0.00 C ATOM 597 C LYS A 34 -0.033 -13.515 -4.136 1.00 0.00 C ATOM 598 O LYS A 34 -0.888 -13.152 -4.944 1.00 0.00 O ATOM 599 CB LYS A 34 1.772 -14.664 -5.425 1.00 0.00 C ATOM 600 CG LYS A 34 2.789 -15.793 -5.462 1.00 0.00 C ATOM 601 CD LYS A 34 4.213 -15.270 -5.590 1.00 0.00 C ATOM 602 CE LYS A 34 4.558 -14.285 -4.482 1.00 0.00 C ATOM 603 NZ LYS A 34 5.796 -14.678 -3.753 1.00 0.00 N ATOM 0 H LYS A 34 -0.292 -16.079 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 34 1.207 -15.085 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.273 -14.603 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.295 -13.719 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.702 -16.390 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.568 -16.453 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.911 -16.107 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.336 -14.785 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.688 -13.290 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.727 -14.224 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.683 -14.470 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.966 -15.696 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.605 -14.143 -4.128 1.00 0.00 H new ATOM 617 N GLY A 35 0.293 -12.806 -3.060 1.00 0.00 N ATOM 618 CA GLY A 35 -0.359 -11.541 -2.783 1.00 0.00 C ATOM 619 C GLY A 35 0.620 -10.387 -2.710 1.00 0.00 C ATOM 620 O GLY A 35 1.704 -10.517 -2.141 1.00 0.00 O ATOM 0 H GLY A 35 0.996 -13.085 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.097 -11.339 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.901 -11.614 -1.840 1.00 0.00 H new ATOM 624 N TRP A 36 0.237 -9.254 -3.288 1.00 0.00 N ATOM 625 CA TRP A 36 1.087 -8.070 -3.289 1.00 0.00 C ATOM 626 C TRP A 36 0.681 -7.111 -2.177 1.00 0.00 C ATOM 627 O TRP A 36 -0.492 -7.028 -1.810 1.00 0.00 O ATOM 628 CB TRP A 36 1.012 -7.364 -4.641 1.00 0.00 C ATOM 629 CG TRP A 36 1.610 -8.164 -5.754 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.923 -8.201 -6.121 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.918 -9.046 -6.644 1.00 0.00 C ATOM 632 NE1 TRP A 36 3.091 -9.055 -7.185 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.874 -9.585 -7.525 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.419 -9.435 -6.781 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.536 -10.490 -8.528 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -0.753 -10.333 -7.776 1.00 0.00 C ATOM 637 CH2 TRP A 36 0.221 -10.852 -8.639 1.00 0.00 C ATOM 0 H TRP A 36 -0.658 -9.131 -3.762 1.00 0.00 H new ATOM 0 HA TRP A 36 2.114 -8.389 -3.112 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.031 -7.150 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.527 -6.406 -4.573 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.715 -7.641 -5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.977 -9.261 -7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.177 -9.040 -6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.285 -10.892 -9.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.782 -10.640 -7.891 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.072 -11.552 -9.407 1.00 0.00 H new ATOM 648 N TRP A 37 1.660 -6.394 -1.639 1.00 0.00 N ATOM 649 CA TRP A 37 1.409 -5.444 -0.563 1.00 0.00 C ATOM 650 C TRP A 37 2.053 -4.094 -0.867 1.00 0.00 C ATOM 651 O TRP A 37 3.273 -3.993 -0.980 1.00 0.00 O ATOM 652 CB TRP A 37 1.954 -6.007 0.752 1.00 0.00 C ATOM 653 CG TRP A 37 1.640 -5.165 1.949 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.500 -5.197 2.699 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.484 -4.172 2.538 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.584 -4.283 3.721 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.791 -3.640 3.642 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.758 -3.680 2.238 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.332 -2.639 4.448 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.291 -2.686 3.038 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.581 -2.177 4.131 1.00 0.00 C ATOM 0 H TRP A 37 2.636 -6.453 -1.931 1.00 0.00 H new ATOM 0 HA TRP A 37 0.333 -5.291 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.545 -7.006 0.905 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.036 -6.114 0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.344 -5.846 2.516 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.135 -4.111 4.424 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.315 -4.069 1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.786 -2.243 5.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.273 -2.296 2.815 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.028 -1.403 4.737 1.00 0.00 H new ATOM 672 N TYR A 38 1.227 -3.057 -0.995 1.00 0.00 N ATOM 673 CA TYR A 38 1.722 -1.712 -1.283 1.00 0.00 C ATOM 674 C TYR A 38 1.491 -0.783 -0.096 1.00 0.00 C ATOM 675 O TYR A 38 0.565 -0.984 0.688 1.00 0.00 O ATOM 676 CB TYR A 38 1.031 -1.134 -2.521 1.00 0.00 C ATOM 677 CG TYR A 38 1.133 -2.002 -3.755 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.558 -3.265 -3.791 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.797 -1.551 -4.891 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.642 -4.055 -4.920 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.883 -2.335 -6.024 1.00 0.00 C ATOM 682 CZ TYR A 38 1.305 -3.586 -6.034 1.00 0.00 C ATOM 683 OH TYR A 38 1.389 -4.370 -7.162 1.00 0.00 O ATOM 0 H TYR A 38 0.213 -3.122 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 38 2.793 -1.788 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.022 -0.972 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.463 -0.158 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.036 -3.636 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.253 -0.572 -4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.190 -5.036 -4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.401 -1.970 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 38 1.888 -3.891 -7.857 1.00 0.00 H new ATOM 693 N ALA A 39 2.334 0.237 0.026 1.00 0.00 N ATOM 694 CA ALA A 39 2.213 1.199 1.117 1.00 0.00 C ATOM 695 C ALA A 39 3.144 2.389 0.912 1.00 0.00 C ATOM 696 O ALA A 39 4.354 2.225 0.758 1.00 0.00 O ATOM 697 CB ALA A 39 2.506 0.522 2.446 1.00 0.00 C ATOM 0 H ALA A 39 3.106 0.419 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 39 1.189 1.573 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.413 1.249 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.796 -0.290 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.519 0.121 2.434 1.00 0.00 H new ATOM 703 N HIS A 40 2.571 3.587 0.923 1.00 0.00 N ATOM 704 CA HIS A 40 3.347 4.808 0.753 1.00 0.00 C ATOM 705 C HIS A 40 3.733 5.378 2.112 1.00 0.00 C ATOM 706 O HIS A 40 2.910 6.000 2.788 1.00 0.00 O ATOM 707 CB HIS A 40 2.546 5.844 -0.043 1.00 0.00 C ATOM 708 CG HIS A 40 3.182 7.201 -0.077 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.467 8.364 -0.268 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.475 7.576 0.068 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.292 9.396 -0.244 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.516 8.945 -0.039 1.00 0.00 N ATOM 0 H HIS A 40 1.570 3.738 1.048 1.00 0.00 H new ATOM 0 HA HIS A 40 4.255 4.568 0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.420 5.486 -1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.549 5.930 0.390 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.458 8.419 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.317 6.921 0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.013 10.432 -0.370 1.00 0.00 H new ATOM 721 N PHE A 41 4.980 5.153 2.509 1.00 0.00 N ATOM 722 CA PHE A 41 5.465 5.638 3.794 1.00 0.00 C ATOM 723 C PHE A 41 5.972 7.073 3.695 1.00 0.00 C ATOM 724 O PHE A 41 6.838 7.383 2.877 1.00 0.00 O ATOM 725 CB PHE A 41 6.586 4.743 4.326 1.00 0.00 C ATOM 726 CG PHE A 41 6.136 3.375 4.748 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.617 2.483 3.824 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.242 2.982 6.070 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.208 1.222 4.216 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.837 1.724 6.467 1.00 0.00 C ATOM 731 CZ PHE A 41 5.320 0.843 5.540 1.00 0.00 C ATOM 0 H PHE A 41 5.671 4.640 1.961 1.00 0.00 H new ATOM 0 HA PHE A 41 4.622 5.612 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.350 4.640 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.056 5.236 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.531 2.775 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.646 3.668 6.800 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.802 0.535 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.925 1.430 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.003 -0.142 5.849 1.00 0.00 H new ATOM 741 N ASP A 42 5.443 7.938 4.554 1.00 0.00 N ATOM 742 CA ASP A 42 5.855 9.333 4.592 1.00 0.00 C ATOM 743 C ASP A 42 6.839 9.534 5.736 1.00 0.00 C ATOM 744 O ASP A 42 6.499 9.320 6.903 1.00 0.00 O ATOM 745 CB ASP A 42 4.642 10.248 4.769 1.00 0.00 C ATOM 746 CG ASP A 42 3.695 10.190 3.587 1.00 0.00 C ATOM 747 OD1 ASP A 42 2.935 9.204 3.484 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.713 11.130 2.766 1.00 0.00 O ATOM 0 H ASP A 42 4.725 7.694 5.236 1.00 0.00 H new ATOM 0 HA ASP A 42 6.337 9.589 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.106 9.964 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.982 11.274 4.908 1.00 0.00 H new ATOM 753 N GLY A 43 8.068 9.914 5.406 1.00 0.00 N ATOM 754 CA GLY A 43 9.071 10.093 6.435 1.00 0.00 C ATOM 755 C GLY A 43 9.299 8.805 7.202 1.00 0.00 C ATOM 756 O GLY A 43 9.309 7.727 6.607 1.00 0.00 O ATOM 0 H GLY A 43 8.384 10.099 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.007 10.421 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.756 10.879 7.122 1.00 0.00 H new ATOM 760 N PRO A 44 9.474 8.872 8.528 1.00 0.00 N ATOM 761 CA PRO A 44 9.687 7.684 9.353 1.00 0.00 C ATOM 762 C PRO A 44 8.413 6.850 9.506 1.00 0.00 C ATOM 763 O PRO A 44 8.456 5.720 9.989 1.00 0.00 O ATOM 764 CB PRO A 44 10.118 8.252 10.716 1.00 0.00 C ATOM 765 CG PRO A 44 10.339 9.714 10.500 1.00 0.00 C ATOM 766 CD PRO A 44 9.476 10.098 9.334 1.00 0.00 C ATOM 0 HA PRO A 44 10.422 7.013 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.351 8.080 11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.028 7.768 11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.069 10.284 11.389 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.389 9.923 10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.471 10.380 9.648 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.888 10.945 8.785 1.00 0.00 H new ATOM 774 N TRP A 45 7.277 7.427 9.117 1.00 0.00 N ATOM 775 CA TRP A 45 5.989 6.756 9.238 1.00 0.00 C ATOM 776 C TRP A 45 5.326 6.544 7.879 1.00 0.00 C ATOM 777 O TRP A 45 5.956 6.712 6.834 1.00 0.00 O ATOM 778 CB TRP A 45 5.088 7.588 10.144 1.00 0.00 C ATOM 779 CG TRP A 45 5.867 8.324 11.190 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.550 9.495 11.036 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.072 7.913 12.537 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.158 9.841 12.218 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.875 8.884 13.157 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.644 6.818 13.277 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.259 8.789 14.494 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.023 6.717 14.602 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.823 7.700 15.200 1.00 0.00 C ATOM 0 H TRP A 45 7.226 8.362 8.714 1.00 0.00 H new ATOM 0 HA TRP A 45 6.150 5.768 9.670 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.528 8.302 9.540 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.359 6.937 10.626 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.604 10.065 10.120 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.727 10.674 12.372 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.025 6.058 12.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.877 9.545 14.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.698 5.868 15.185 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.101 7.596 16.238 1.00 0.00 H new ATOM 798 N ILE A 46 4.050 6.163 7.905 1.00 0.00 N ATOM 799 CA ILE A 46 3.302 5.914 6.677 1.00 0.00 C ATOM 800 C ILE A 46 1.918 6.553 6.724 1.00 0.00 C ATOM 801 O ILE A 46 1.373 6.807 7.798 1.00 0.00 O ATOM 802 CB ILE A 46 3.174 4.400 6.408 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.150 4.106 5.310 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.803 3.669 7.684 1.00 0.00 C ATOM 805 CD1 ILE A 46 2.104 2.647 4.912 1.00 0.00 C ATOM 0 H ILE A 46 3.515 6.021 8.762 1.00 0.00 H new ATOM 0 HA ILE A 46 3.861 6.372 5.861 1.00 0.00 H new ATOM 0 HB ILE A 46 4.143 4.042 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.162 4.414 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.385 4.708 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.716 2.602 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.576 3.833 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.850 4.046 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.358 2.507 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.082 2.340 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.839 2.042 5.779 1.00 0.00 H new ATOM 817 N ALA A 47 1.362 6.820 5.546 1.00 0.00 N ATOM 818 CA ALA A 47 0.047 7.441 5.445 1.00 0.00 C ATOM 819 C ALA A 47 -0.857 6.716 4.448 1.00 0.00 C ATOM 820 O ALA A 47 -2.081 6.741 4.589 1.00 0.00 O ATOM 821 CB ALA A 47 0.193 8.905 5.057 1.00 0.00 C ATOM 0 H ALA A 47 1.802 6.616 4.649 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.428 7.369 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.794 9.362 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.779 9.426 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.699 8.978 4.094 1.00 0.00 H new ATOM 827 N ARG A 48 -0.268 6.077 3.438 1.00 0.00 N ATOM 828 CA ARG A 48 -1.055 5.367 2.435 1.00 0.00 C ATOM 829 C ARG A 48 -0.776 3.868 2.478 1.00 0.00 C ATOM 830 O ARG A 48 0.376 3.443 2.527 1.00 0.00 O ATOM 831 CB ARG A 48 -0.756 5.919 1.040 1.00 0.00 C ATOM 832 CG ARG A 48 -1.990 6.390 0.290 1.00 0.00 C ATOM 833 CD ARG A 48 -1.648 6.821 -1.127 1.00 0.00 C ATOM 834 NE ARG A 48 -1.002 8.132 -1.160 1.00 0.00 N ATOM 835 CZ ARG A 48 -0.218 8.550 -2.152 1.00 0.00 C ATOM 836 NH1 ARG A 48 0.015 7.770 -3.200 1.00 0.00 N ATOM 837 NH2 ARG A 48 0.335 9.755 -2.097 1.00 0.00 N ATOM 0 H ARG A 48 0.741 6.037 3.294 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.110 5.523 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.058 6.751 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.258 5.147 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.727 5.588 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.447 7.223 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.990 6.081 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.558 6.850 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.161 8.765 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.408 6.843 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.617 8.097 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.160 10.361 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.936 10.076 -2.857 1.00 0.00 H new ATOM 851 N GLN A 49 -1.842 3.073 2.454 1.00 0.00 N ATOM 852 CA GLN A 49 -1.712 1.621 2.489 1.00 0.00 C ATOM 853 C GLN A 49 -2.675 0.966 1.505 1.00 0.00 C ATOM 854 O GLN A 49 -3.853 1.320 1.444 1.00 0.00 O ATOM 855 CB GLN A 49 -1.977 1.100 3.904 1.00 0.00 C ATOM 856 CG GLN A 49 -0.790 0.380 4.523 1.00 0.00 C ATOM 857 CD GLN A 49 -0.799 -1.106 4.230 1.00 0.00 C ATOM 858 OE1 GLN A 49 -1.183 -1.917 5.073 1.00 0.00 O ATOM 859 NE2 GLN A 49 -0.372 -1.469 3.029 1.00 0.00 N ATOM 0 H GLN A 49 -2.804 3.410 2.411 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.693 1.364 2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.256 1.937 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.829 0.421 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.134 0.817 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.797 0.535 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.063 -0.762 2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.352 -2.456 2.771 1.00 0.00 H new ATOM 868 N MET A 50 -2.169 0.004 0.741 1.00 0.00 N ATOM 869 CA MET A 50 -2.987 -0.705 -0.236 1.00 0.00 C ATOM 870 C MET A 50 -2.626 -2.185 -0.269 1.00 0.00 C ATOM 871 O MET A 50 -1.534 -2.559 -0.695 1.00 0.00 O ATOM 872 CB MET A 50 -2.814 -0.091 -1.626 1.00 0.00 C ATOM 873 CG MET A 50 -3.896 -0.505 -2.612 1.00 0.00 C ATOM 874 SD MET A 50 -3.228 -1.046 -4.197 1.00 0.00 S ATOM 875 CE MET A 50 -2.410 0.448 -4.749 1.00 0.00 C ATOM 0 H MET A 50 -1.197 -0.303 0.779 1.00 0.00 H new ATOM 0 HA MET A 50 -4.031 -0.609 0.063 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.811 0.995 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.841 -0.380 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.487 -1.311 -2.178 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.572 0.334 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.815 0.231 -5.636 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.157 1.204 -4.989 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.759 0.820 -3.958 1.00 0.00 H new ATOM 885 N GLU A 51 -3.551 -3.023 0.187 1.00 0.00 N ATOM 886 CA GLU A 51 -3.328 -4.464 0.215 1.00 0.00 C ATOM 887 C GLU A 51 -3.940 -5.136 -1.011 1.00 0.00 C ATOM 888 O GLU A 51 -5.068 -4.833 -1.401 1.00 0.00 O ATOM 889 CB GLU A 51 -3.918 -5.065 1.494 1.00 0.00 C ATOM 890 CG GLU A 51 -2.919 -5.871 2.306 1.00 0.00 C ATOM 891 CD GLU A 51 -2.302 -7.005 1.513 1.00 0.00 C ATOM 892 OE1 GLU A 51 -1.527 -6.721 0.575 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.591 -8.179 1.830 1.00 0.00 O ATOM 0 H GLU A 51 -4.461 -2.730 0.542 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.253 -4.642 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.313 -4.261 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.759 -5.706 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.129 -5.210 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.416 -6.277 3.187 1.00 0.00 H new ATOM 900 N LEU A 52 -3.186 -6.052 -1.613 1.00 0.00 N ATOM 901 CA LEU A 52 -3.653 -6.770 -2.794 1.00 0.00 C ATOM 902 C LEU A 52 -3.439 -8.272 -2.633 1.00 0.00 C ATOM 903 O LEU A 52 -2.325 -8.771 -2.789 1.00 0.00 O ATOM 904 CB LEU A 52 -2.920 -6.270 -4.042 1.00 0.00 C ATOM 905 CG LEU A 52 -3.366 -4.896 -4.548 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.318 -4.301 -5.478 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.711 -5.002 -5.252 1.00 0.00 C ATOM 0 H LEU A 52 -2.250 -6.314 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.721 -6.582 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.852 -6.232 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.058 -6.997 -4.842 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.477 -4.231 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.654 -3.324 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.376 -4.190 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.173 -4.962 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.015 -4.017 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.625 -5.682 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.457 -5.383 -4.555 1.00 0.00 H new ATOM 919 N HIS A 53 -4.515 -8.988 -2.319 1.00 0.00 N ATOM 920 CA HIS A 53 -4.444 -10.434 -2.135 1.00 0.00 C ATOM 921 C HIS A 53 -5.389 -11.154 -3.098 1.00 0.00 C ATOM 922 O HIS A 53 -6.519 -10.716 -3.311 1.00 0.00 O ATOM 923 CB HIS A 53 -4.792 -10.801 -0.691 1.00 0.00 C ATOM 924 CG HIS A 53 -3.594 -10.970 0.189 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.645 -11.597 1.417 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.305 -10.592 0.016 1.00 0.00 C ATOM 927 CE1 HIS A 53 -2.440 -11.597 1.959 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.609 -10.992 1.129 1.00 0.00 N ATOM 0 H HIS A 53 -5.445 -8.591 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.424 -10.754 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.434 -10.026 -0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.368 -11.727 -0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.900 -10.072 -0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.179 -12.020 2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.612 -10.846 1.289 1.00 0.00 H new ATOM 937 N PRO A 54 -4.938 -12.273 -3.694 1.00 0.00 N ATOM 938 CA PRO A 54 -5.755 -13.048 -4.635 1.00 0.00 C ATOM 939 C PRO A 54 -7.100 -13.449 -4.042 1.00 0.00 C ATOM 940 O PRO A 54 -8.087 -13.601 -4.761 1.00 0.00 O ATOM 941 CB PRO A 54 -4.901 -14.289 -4.912 1.00 0.00 C ATOM 942 CG PRO A 54 -3.505 -13.856 -4.628 1.00 0.00 C ATOM 943 CD PRO A 54 -3.604 -12.869 -3.500 1.00 0.00 C ATOM 0 HA PRO A 54 -5.999 -12.474 -5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.195 -15.123 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.010 -14.623 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.881 -14.706 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.050 -13.400 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.518 -13.357 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.816 -12.118 -3.551 1.00 0.00 H new ATOM 951 N ASP A 55 -7.133 -13.618 -2.725 1.00 0.00 N ATOM 952 CA ASP A 55 -8.360 -14.000 -2.034 1.00 0.00 C ATOM 953 C ASP A 55 -9.086 -12.776 -1.481 1.00 0.00 C ATOM 954 O ASP A 55 -10.285 -12.826 -1.210 1.00 0.00 O ATOM 955 CB ASP A 55 -8.049 -14.982 -0.901 1.00 0.00 C ATOM 956 CG ASP A 55 -7.045 -14.427 0.091 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.833 -13.196 0.098 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.470 -15.225 0.861 1.00 0.00 O ATOM 0 H ASP A 55 -6.325 -13.497 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.014 -14.486 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.972 -15.231 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.662 -15.909 -1.324 1.00 0.00 H new ATOM 963 N LYS A 56 -8.353 -11.677 -1.315 1.00 0.00 N ATOM 964 CA LYS A 56 -8.929 -10.445 -0.797 1.00 0.00 C ATOM 965 C LYS A 56 -8.690 -9.285 -1.763 1.00 0.00 C ATOM 966 O LYS A 56 -7.548 -8.889 -1.995 1.00 0.00 O ATOM 967 CB LYS A 56 -8.329 -10.114 0.572 1.00 0.00 C ATOM 968 CG LYS A 56 -8.726 -11.097 1.664 1.00 0.00 C ATOM 969 CD LYS A 56 -7.512 -11.621 2.418 1.00 0.00 C ATOM 970 CE LYS A 56 -7.665 -11.437 3.919 1.00 0.00 C ATOM 971 NZ LYS A 56 -6.395 -11.723 4.645 1.00 0.00 N ATOM 0 H LYS A 56 -7.358 -11.618 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.004 -10.591 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.242 -10.096 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.643 -9.112 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.406 -10.610 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.268 -11.933 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.371 -12.678 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.618 -11.100 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.982 -10.415 4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.451 -12.096 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.540 -11.586 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.106 -12.706 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.651 -11.077 4.312 1.00 0.00 H new ATOM 985 N PRO A 57 -9.767 -8.721 -2.344 1.00 0.00 N ATOM 986 CA PRO A 57 -9.659 -7.603 -3.287 1.00 0.00 C ATOM 987 C PRO A 57 -8.735 -6.499 -2.779 1.00 0.00 C ATOM 988 O PRO A 57 -8.268 -6.542 -1.642 1.00 0.00 O ATOM 989 CB PRO A 57 -11.095 -7.093 -3.391 1.00 0.00 C ATOM 990 CG PRO A 57 -11.938 -8.291 -3.119 1.00 0.00 C ATOM 991 CD PRO A 57 -11.171 -9.126 -2.129 1.00 0.00 C ATOM 0 HA PRO A 57 -9.230 -7.912 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.288 -6.300 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.299 -6.680 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.908 -8.001 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.128 -8.850 -4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.492 -8.930 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.313 -10.192 -2.309 1.00 0.00 H new ATOM 999 N PRO A 58 -8.456 -5.491 -3.623 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.580 -4.372 -3.253 1.00 0.00 C ATOM 1001 C PRO A 58 -8.033 -3.680 -1.974 1.00 0.00 C ATOM 1002 O PRO A 58 -8.797 -2.715 -2.016 1.00 0.00 O ATOM 1003 CB PRO A 58 -7.695 -3.417 -4.445 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.107 -4.279 -5.588 1.00 0.00 C ATOM 1005 CD PRO A 58 -8.967 -5.361 -4.999 1.00 0.00 C ATOM 0 HA PRO A 58 -6.561 -4.704 -3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.430 -2.635 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.746 -2.921 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.658 -3.704 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.238 -4.702 -6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.022 -5.088 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.873 -6.295 -5.553 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.556 -4.173 -0.835 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.912 -3.593 0.454 1.00 0.00 C ATOM 1015 C ILE A 59 -7.360 -2.179 0.585 1.00 0.00 C ATOM 1016 O ILE A 59 -6.163 -1.986 0.802 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.392 -4.451 1.627 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.907 -5.886 1.507 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.810 -3.845 2.960 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -6.861 -6.931 1.823 1.00 0.00 C ATOM 0 H ILE A 59 -6.923 -4.971 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.001 -3.563 0.498 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.303 -4.469 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.755 -6.017 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.276 -6.048 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.434 -4.464 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.398 -2.840 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.898 -3.797 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.296 -7.925 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.023 -6.827 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.509 -6.796 2.846 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.239 -1.194 0.452 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.842 0.204 0.555 1.00 0.00 C ATOM 1034 C LEU A 60 -7.620 0.598 2.011 1.00 0.00 C ATOM 1035 O LEU A 60 -8.438 0.295 2.879 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.910 1.109 -0.071 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.892 1.224 -1.607 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.720 0.470 -2.220 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.206 0.732 -2.193 1.00 0.00 C ATOM 0 H LEU A 60 -9.233 -1.338 0.272 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.905 0.330 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.890 0.742 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.800 2.109 0.348 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.767 2.278 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.745 0.577 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.785 0.878 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.790 -0.586 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.176 0.820 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.359 -0.312 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.027 1.334 -1.803 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.507 1.275 2.271 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.175 1.710 3.622 1.00 0.00 C ATOM 1053 C LEU A 61 -5.545 3.099 3.612 1.00 0.00 C ATOM 1054 O LEU A 61 -4.950 3.517 2.618 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.224 0.709 4.281 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.801 -0.058 5.472 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -7.187 -0.598 5.150 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -4.866 -1.189 5.875 1.00 0.00 C ATOM 0 H LEU A 61 -5.819 1.534 1.564 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.099 1.758 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.903 -0.011 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.333 1.243 4.612 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.895 0.632 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.576 -1.139 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.854 0.230 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.125 -1.272 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.289 -1.726 6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.742 -1.875 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.896 -0.777 6.154 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.681 3.807 4.728 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.127 5.148 4.858 1.00 0.00 C ATOM 1072 C VAL A 62 -4.927 5.512 6.325 1.00 0.00 C ATOM 1073 O VAL A 62 -5.722 5.127 7.183 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.036 6.197 4.187 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.400 6.240 4.861 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.379 7.568 4.207 1.00 0.00 C ATOM 0 H VAL A 62 -6.172 3.473 5.557 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.161 5.150 4.354 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.183 5.906 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.025 6.987 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.875 5.262 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.278 6.502 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.037 8.294 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.196 7.869 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.433 7.526 3.668 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.859 6.251 6.611 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.555 6.657 7.977 1.00 0.00 C ATOM 1088 C ALA A 63 -4.730 7.402 8.606 1.00 0.00 C ATOM 1089 O ALA A 63 -5.520 8.038 7.909 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.300 7.516 8.006 1.00 0.00 C ATOM 0 H ALA A 63 -3.191 6.580 5.914 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.377 5.757 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.085 7.812 9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.460 6.946 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.454 8.406 7.397 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.841 7.312 9.928 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.927 7.975 10.627 1.00 0.00 C ATOM 1098 C GLY A 64 -7.195 7.146 10.633 1.00 0.00 C ATOM 1099 O GLY A 64 -7.671 6.732 11.689 1.00 0.00 O ATOM 0 H GLY A 64 -4.199 6.793 10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.624 8.180 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.126 8.937 10.155 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.742 6.901 9.446 1.00 0.00 N ATOM 1104 CA LYS A 65 -8.959 6.112 9.311 1.00 0.00 C ATOM 1105 C LYS A 65 -8.667 4.632 9.542 1.00 0.00 C ATOM 1106 O LYS A 65 -9.515 3.889 10.040 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.572 6.317 7.925 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.056 6.647 7.957 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.872 5.641 7.159 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.418 4.535 8.050 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.572 3.836 7.423 1.00 0.00 N ATOM 0 H LYS A 65 -7.360 7.239 8.563 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.672 6.447 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.040 7.122 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.422 5.414 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.404 6.661 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.215 7.647 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.698 6.152 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.251 5.206 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.628 3.814 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.726 4.958 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.925 3.101 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.330 4.521 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.268 3.396 6.531 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.460 4.214 9.179 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.046 2.825 9.343 1.00 0.00 C ATOM 1127 C ASP A 66 -5.832 2.730 10.262 1.00 0.00 C ATOM 1128 O ASP A 66 -4.792 2.194 9.881 1.00 0.00 O ATOM 1129 CB ASP A 66 -6.719 2.209 7.983 1.00 0.00 C ATOM 1130 CG ASP A 66 -7.956 1.710 7.260 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -8.650 0.829 7.809 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.231 2.201 6.145 1.00 0.00 O ATOM 0 H ASP A 66 -6.749 4.819 8.768 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.869 2.273 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.214 2.950 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.023 1.381 8.120 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.969 3.256 11.473 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.878 3.230 12.441 1.00 0.00 C ATOM 1139 C ASP A 67 -4.576 1.803 12.889 1.00 0.00 C ATOM 1140 O ASP A 67 -3.431 1.468 13.191 1.00 0.00 O ATOM 1141 CB ASP A 67 -5.226 4.098 13.653 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.449 5.401 13.673 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.202 5.347 13.731 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -5.087 6.473 13.628 1.00 0.00 O ATOM 0 H ASP A 67 -6.822 3.705 11.808 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.987 3.631 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.294 4.315 13.646 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.020 3.541 14.567 1.00 0.00 H new ATOM 1149 N MET A 68 -5.609 0.968 12.933 1.00 0.00 N ATOM 1150 CA MET A 68 -5.451 -0.420 13.347 1.00 0.00 C ATOM 1151 C MET A 68 -5.039 -1.304 12.174 1.00 0.00 C ATOM 1152 O MET A 68 -4.288 -2.264 12.342 1.00 0.00 O ATOM 1153 CB MET A 68 -6.752 -0.941 13.962 1.00 0.00 C ATOM 1154 CG MET A 68 -7.037 -0.378 15.345 1.00 0.00 C ATOM 1155 SD MET A 68 -7.442 1.379 15.310 1.00 0.00 S ATOM 1156 CE MET A 68 -6.726 1.923 16.859 1.00 0.00 C ATOM 0 H MET A 68 -6.564 1.229 12.687 1.00 0.00 H new ATOM 0 HA MET A 68 -4.660 -0.458 14.096 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.582 -0.694 13.300 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.706 -2.028 14.023 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.864 -0.929 15.794 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.167 -0.534 15.983 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.895 2.993 16.982 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.192 1.385 17.684 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.655 1.723 16.855 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.538 -0.977 10.986 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.223 -1.748 9.789 1.00 0.00 C ATOM 1168 C GLU A 69 -3.866 -1.346 9.217 1.00 0.00 C ATOM 1169 O GLU A 69 -3.013 -2.197 8.967 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.314 -1.564 8.731 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.674 -2.095 9.160 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.280 -1.298 10.298 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -8.435 -0.068 10.147 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.601 -1.906 11.342 1.00 0.00 O ATOM 0 H GLU A 69 -6.161 -0.185 10.827 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.177 -2.800 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.405 -0.504 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.009 -2.069 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.352 -2.076 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.573 -3.137 9.465 1.00 0.00 H new ATOM 1181 N MET A 70 -3.676 -0.041 9.012 1.00 0.00 N ATOM 1182 CA MET A 70 -2.423 0.495 8.470 1.00 0.00 C ATOM 1183 C MET A 70 -1.209 -0.253 9.025 1.00 0.00 C ATOM 1184 O MET A 70 -1.254 -0.789 10.132 1.00 0.00 O ATOM 1185 CB MET A 70 -2.314 1.988 8.802 1.00 0.00 C ATOM 1186 CG MET A 70 -0.994 2.626 8.391 1.00 0.00 C ATOM 1187 SD MET A 70 -0.891 2.943 6.620 1.00 0.00 S ATOM 1188 CE MET A 70 -2.407 3.853 6.347 1.00 0.00 C ATOM 0 H MET A 70 -4.379 0.670 9.215 1.00 0.00 H new ATOM 0 HA MET A 70 -2.435 0.359 7.389 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.129 2.518 8.310 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.450 2.121 9.875 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.866 3.564 8.931 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.173 1.973 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.253 4.587 5.556 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.198 3.163 6.053 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.695 4.365 7.266 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.129 -0.286 8.243 1.00 0.00 N ATOM 1199 CA CYS A 71 1.102 -0.966 8.649 1.00 0.00 C ATOM 1200 C CYS A 71 1.427 -0.692 10.117 1.00 0.00 C ATOM 1201 O CYS A 71 1.503 -1.613 10.927 1.00 0.00 O ATOM 1202 CB CYS A 71 2.267 -0.519 7.766 1.00 0.00 C ATOM 1203 SG CYS A 71 3.433 -1.840 7.363 1.00 0.00 S ATOM 0 H CYS A 71 -0.082 0.151 7.323 1.00 0.00 H new ATOM 0 HA CYS A 71 0.949 -2.038 8.528 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.869 -0.104 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.804 0.284 8.270 1.00 0.00 H new ATOM 0 HG CYS A 71 3.254 -2.216 6.131 1.00 0.00 H new ATOM 1209 N GLU A 72 1.616 0.589 10.447 1.00 0.00 N ATOM 1210 CA GLU A 72 1.927 1.012 11.815 1.00 0.00 C ATOM 1211 C GLU A 72 3.420 0.891 12.125 1.00 0.00 C ATOM 1212 O GLU A 72 3.923 1.548 13.037 1.00 0.00 O ATOM 1213 CB GLU A 72 1.116 0.205 12.836 1.00 0.00 C ATOM 1214 CG GLU A 72 0.513 1.056 13.943 1.00 0.00 C ATOM 1215 CD GLU A 72 1.118 0.760 15.300 1.00 0.00 C ATOM 1216 OE1 GLU A 72 1.156 -0.426 15.687 1.00 0.00 O ATOM 1217 OE2 GLU A 72 1.552 1.716 15.978 1.00 0.00 O ATOM 0 H GLU A 72 1.558 1.357 9.778 1.00 0.00 H new ATOM 0 HA GLU A 72 1.651 2.064 11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.315 -0.322 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.760 -0.553 13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.659 2.110 13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.563 0.884 13.983 1.00 0.00 H new ATOM 1224 N LYS A 73 4.126 0.054 11.371 1.00 0.00 N ATOM 1225 CA LYS A 73 5.557 -0.140 11.580 1.00 0.00 C ATOM 1226 C LYS A 73 6.367 0.764 10.658 1.00 0.00 C ATOM 1227 O LYS A 73 6.226 0.703 9.439 1.00 0.00 O ATOM 1228 CB LYS A 73 5.932 -1.602 11.340 1.00 0.00 C ATOM 1229 CG LYS A 73 5.560 -2.524 12.490 1.00 0.00 C ATOM 1230 CD LYS A 73 4.192 -3.151 12.281 1.00 0.00 C ATOM 1231 CE LYS A 73 4.076 -4.488 12.995 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.082 -4.329 14.475 1.00 0.00 N ATOM 0 H LYS A 73 3.731 -0.500 10.611 1.00 0.00 H new ATOM 0 HA LYS A 73 5.790 0.123 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.439 -1.950 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.006 -1.669 11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.310 -3.309 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.565 -1.962 13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.421 -2.474 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.014 -3.290 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.156 -4.985 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.903 -5.132 12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.001 -5.263 14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.970 -3.877 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.278 -3.735 14.764 1.00 0.00 H new ATOM 1246 N ASN A 74 7.220 1.601 11.245 1.00 0.00 N ATOM 1247 CA ASN A 74 8.052 2.518 10.468 1.00 0.00 C ATOM 1248 C ASN A 74 8.796 1.777 9.357 1.00 0.00 C ATOM 1249 O ASN A 74 8.704 0.556 9.241 1.00 0.00 O ATOM 1250 CB ASN A 74 9.048 3.243 11.377 1.00 0.00 C ATOM 1251 CG ASN A 74 8.369 3.924 12.553 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.897 3.262 13.477 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.315 5.253 12.523 1.00 0.00 N ATOM 0 H ASN A 74 7.353 1.663 12.254 1.00 0.00 H new ATOM 0 HA ASN A 74 7.395 3.256 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.783 2.529 11.749 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.592 3.987 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.869 5.763 13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.719 5.762 11.737 1.00 0.00 H new ATOM 1260 N LEU A 75 9.521 2.530 8.537 1.00 0.00 N ATOM 1261 CA LEU A 75 10.274 1.966 7.417 1.00 0.00 C ATOM 1262 C LEU A 75 11.157 0.791 7.841 1.00 0.00 C ATOM 1263 O LEU A 75 11.194 -0.242 7.172 1.00 0.00 O ATOM 1264 CB LEU A 75 11.142 3.052 6.776 1.00 0.00 C ATOM 1265 CG LEU A 75 10.682 3.524 5.395 1.00 0.00 C ATOM 1266 CD1 LEU A 75 10.444 2.336 4.470 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.428 4.376 5.515 1.00 0.00 C ATOM 0 H LEU A 75 9.605 3.543 8.627 1.00 0.00 H new ATOM 0 HA LEU A 75 9.548 1.589 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.172 3.912 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.162 2.677 6.693 1.00 0.00 H new ATOM 0 HG LEU A 75 11.472 4.137 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.118 2.695 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.369 1.771 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.675 1.692 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.114 4.703 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.632 3.789 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.638 5.247 6.135 1.00 0.00 H new ATOM 1279 N GLU A 76 11.888 0.965 8.933 1.00 0.00 N ATOM 1280 CA GLU A 76 12.795 -0.074 9.420 1.00 0.00 C ATOM 1281 C GLU A 76 12.048 -1.322 9.890 1.00 0.00 C ATOM 1282 O GLU A 76 12.321 -2.428 9.427 1.00 0.00 O ATOM 1283 CB GLU A 76 13.652 0.468 10.567 1.00 0.00 C ATOM 1284 CG GLU A 76 14.138 1.892 10.347 1.00 0.00 C ATOM 1285 CD GLU A 76 15.650 2.007 10.378 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.208 2.190 11.481 1.00 0.00 O ATOM 1287 OE2 GLU A 76 16.274 1.914 9.301 1.00 0.00 O ATOM 0 H GLU A 76 11.874 1.813 9.500 1.00 0.00 H new ATOM 0 HA GLU A 76 13.431 -0.361 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.074 0.429 11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.515 -0.184 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.770 2.253 9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.713 2.539 11.114 1.00 0.00 H new ATOM 1294 N GLU A 77 11.128 -1.141 10.830 1.00 0.00 N ATOM 1295 CA GLU A 77 10.368 -2.263 11.383 1.00 0.00 C ATOM 1296 C GLU A 77 9.533 -2.983 10.324 1.00 0.00 C ATOM 1297 O GLU A 77 9.110 -4.120 10.536 1.00 0.00 O ATOM 1298 CB GLU A 77 9.466 -1.804 12.534 1.00 0.00 C ATOM 1299 CG GLU A 77 8.875 -0.420 12.345 1.00 0.00 C ATOM 1300 CD GLU A 77 9.476 0.606 13.287 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.656 0.968 13.095 1.00 0.00 O ATOM 1302 OE2 GLU A 77 8.766 1.046 14.216 1.00 0.00 O ATOM 0 H GLU A 77 10.888 -0.232 11.226 1.00 0.00 H new ATOM 0 HA GLU A 77 11.102 -2.973 11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.654 -2.521 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.041 -1.818 13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.034 -0.099 11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.797 -0.465 12.503 1.00 0.00 H new ATOM 1309 N THR A 78 9.294 -2.335 9.188 1.00 0.00 N ATOM 1310 CA THR A 78 8.507 -2.955 8.124 1.00 0.00 C ATOM 1311 C THR A 78 9.320 -4.019 7.395 1.00 0.00 C ATOM 1312 O THR A 78 8.980 -5.202 7.423 1.00 0.00 O ATOM 1313 CB THR A 78 8.009 -1.908 7.127 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.824 -0.750 7.156 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.580 -1.479 7.376 1.00 0.00 C ATOM 0 H THR A 78 9.628 -1.394 8.980 1.00 0.00 H new ATOM 0 HA THR A 78 7.644 -3.431 8.589 1.00 0.00 H new ATOM 0 HB THR A 78 8.060 -2.393 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.448 -0.101 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.289 -0.735 6.634 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.922 -2.344 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.498 -1.048 8.374 1.00 0.00 H new ATOM 1323 N GLY A 79 10.395 -3.592 6.742 1.00 0.00 N ATOM 1324 CA GLY A 79 11.238 -4.526 6.015 1.00 0.00 C ATOM 1325 C GLY A 79 11.386 -4.175 4.544 1.00 0.00 C ATOM 1326 O GLY A 79 12.249 -4.722 3.858 1.00 0.00 O ATOM 0 H GLY A 79 10.698 -2.619 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.225 -4.551 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.819 -5.528 6.103 1.00 0.00 H new ATOM 1330 N LEU A 80 10.550 -3.259 4.055 1.00 0.00 N ATOM 1331 CA LEU A 80 10.609 -2.845 2.657 1.00 0.00 C ATOM 1332 C LEU A 80 12.016 -2.389 2.298 1.00 0.00 C ATOM 1333 O LEU A 80 12.502 -2.627 1.193 1.00 0.00 O ATOM 1334 CB LEU A 80 9.618 -1.711 2.396 1.00 0.00 C ATOM 1335 CG LEU A 80 8.159 -2.143 2.236 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.955 -2.864 0.914 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.730 -3.026 3.398 1.00 0.00 C ATOM 0 H LEU A 80 9.828 -2.793 4.605 1.00 0.00 H new ATOM 0 HA LEU A 80 10.343 -3.700 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.681 -0.999 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.925 -1.183 1.493 1.00 0.00 H new ATOM 0 HG LEU A 80 7.537 -1.248 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.911 -3.163 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.217 -2.198 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.590 -3.749 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.689 -3.322 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.359 -3.915 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.833 -2.474 4.332 1.00 0.00 H new ATOM 1349 N THR A 81 12.664 -1.735 3.248 1.00 0.00 N ATOM 1350 CA THR A 81 14.023 -1.242 3.050 1.00 0.00 C ATOM 1351 C THR A 81 15.047 -2.340 3.328 1.00 0.00 C ATOM 1352 O THR A 81 16.184 -2.273 2.861 1.00 0.00 O ATOM 1353 CB THR A 81 14.288 -0.039 3.955 1.00 0.00 C ATOM 1354 OG1 THR A 81 14.279 -0.426 5.318 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.276 1.073 3.786 1.00 0.00 C ATOM 0 H THR A 81 12.272 -1.531 4.167 1.00 0.00 H new ATOM 0 HA THR A 81 14.123 -0.933 2.009 1.00 0.00 H new ATOM 0 HB THR A 81 15.267 0.336 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.452 0.357 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.523 1.895 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.294 1.428 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.280 0.698 4.023 1.00 0.00 H new ATOM 1363 N ARG A 82 14.638 -3.348 4.093 1.00 0.00 N ATOM 1364 CA ARG A 82 15.522 -4.457 4.436 1.00 0.00 C ATOM 1365 C ARG A 82 15.532 -5.527 3.344 1.00 0.00 C ATOM 1366 O ARG A 82 16.374 -6.424 3.357 1.00 0.00 O ATOM 1367 CB ARG A 82 15.097 -5.079 5.768 1.00 0.00 C ATOM 1368 CG ARG A 82 15.064 -4.088 6.920 1.00 0.00 C ATOM 1369 CD ARG A 82 15.789 -4.627 8.143 1.00 0.00 C ATOM 1370 NE ARG A 82 15.753 -3.685 9.261 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.064 -4.010 10.513 1.00 0.00 C ATOM 1372 NH1 ARG A 82 16.434 -5.249 10.813 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.007 -3.092 11.469 1.00 0.00 N ATOM 0 H ARG A 82 13.700 -3.420 4.487 1.00 0.00 H new ATOM 0 HA ARG A 82 16.532 -4.058 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.108 -5.523 5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.783 -5.889 6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.524 -3.151 6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.029 -3.865 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.334 -5.569 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.826 -4.843 7.884 1.00 0.00 H new ATOM 0 HE ARG A 82 15.473 -2.723 9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.481 -5.958 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.671 -5.492 11.775 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.725 -2.138 11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.245 -3.340 12.429 1.00 0.00 H new ATOM 1387 N LYS A 83 14.595 -5.433 2.403 1.00 0.00 N ATOM 1388 CA LYS A 83 14.512 -6.404 1.316 1.00 0.00 C ATOM 1389 C LYS A 83 15.284 -5.929 0.086 1.00 0.00 C ATOM 1390 O LYS A 83 15.002 -6.345 -1.039 1.00 0.00 O ATOM 1391 CB LYS A 83 13.052 -6.675 0.953 1.00 0.00 C ATOM 1392 CG LYS A 83 12.873 -7.760 -0.099 1.00 0.00 C ATOM 1393 CD LYS A 83 12.093 -7.252 -1.302 1.00 0.00 C ATOM 1394 CE LYS A 83 11.860 -8.355 -2.325 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.435 -8.425 -2.749 1.00 0.00 N ATOM 0 H LYS A 83 13.887 -4.699 2.371 1.00 0.00 H new ATOM 0 HA LYS A 83 14.968 -7.331 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.510 -6.963 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.600 -5.752 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.850 -8.118 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.352 -8.611 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.134 -6.852 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.637 -6.431 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.490 -8.181 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.160 -9.313 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.330 -9.142 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.843 -8.683 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.136 -7.499 -3.115 1.00 0.00 H new ATOM 1409 N ARG A 84 16.271 -5.066 0.315 1.00 0.00 N ATOM 1410 CA ARG A 84 17.113 -4.530 -0.757 1.00 0.00 C ATOM 1411 C ARG A 84 16.325 -4.256 -2.040 1.00 0.00 C ATOM 1412 O ARG A 84 16.159 -5.142 -2.877 1.00 0.00 O ATOM 1413 CB ARG A 84 18.260 -5.496 -1.053 1.00 0.00 C ATOM 1414 CG ARG A 84 19.323 -5.530 0.034 1.00 0.00 C ATOM 1415 CD ARG A 84 20.524 -4.676 -0.336 1.00 0.00 C ATOM 1416 NE ARG A 84 21.088 -3.992 0.825 1.00 0.00 N ATOM 1417 CZ ARG A 84 21.879 -4.579 1.721 1.00 0.00 C ATOM 1418 NH1 ARG A 84 22.201 -5.861 1.592 1.00 0.00 N ATOM 1419 NH2 ARG A 84 22.349 -3.885 2.747 1.00 0.00 N ATOM 0 H ARG A 84 16.511 -4.719 1.244 1.00 0.00 H new ATOM 0 HA ARG A 84 17.508 -3.576 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.854 -6.499 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 84 18.726 -5.215 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.897 -5.174 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.643 -6.559 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 84 21.288 -5.304 -0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.228 -3.939 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 84 20.862 -3.006 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.842 -6.400 0.804 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.807 -6.306 2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 84 22.105 -2.900 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.955 -4.336 3.433 1.00 0.00 H new ATOM 1433 N GLY A 85 15.864 -3.019 -2.195 1.00 0.00 N ATOM 1434 CA GLY A 85 15.123 -2.646 -3.388 1.00 0.00 C ATOM 1435 C GLY A 85 13.683 -3.123 -3.382 1.00 0.00 C ATOM 1436 O GLY A 85 13.199 -3.661 -4.378 1.00 0.00 O ATOM 0 H GLY A 85 15.990 -2.268 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.137 -1.561 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.629 -3.055 -4.263 1.00 0.00 H new ATOM 1440 N ALA A 86 12.989 -2.918 -2.268 1.00 0.00 N ATOM 1441 CA ALA A 86 11.593 -3.322 -2.155 1.00 0.00 C ATOM 1442 C ALA A 86 10.661 -2.123 -2.318 1.00 0.00 C ATOM 1443 O ALA A 86 9.487 -2.188 -1.955 1.00 0.00 O ATOM 1444 CB ALA A 86 11.351 -4.006 -0.819 1.00 0.00 C ATOM 0 H ALA A 86 13.370 -2.475 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 86 11.376 -4.028 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.305 -4.303 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.985 -4.889 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.589 -3.317 -0.009 1.00 0.00 H new ATOM 1450 N GLU A 87 11.190 -1.027 -2.859 1.00 0.00 N ATOM 1451 CA GLU A 87 10.403 0.185 -3.060 1.00 0.00 C ATOM 1452 C GLU A 87 9.714 0.181 -4.423 1.00 0.00 C ATOM 1453 O GLU A 87 10.031 -0.634 -5.289 1.00 0.00 O ATOM 1454 CB GLU A 87 11.295 1.422 -2.931 1.00 0.00 C ATOM 1455 CG GLU A 87 12.356 1.525 -4.015 1.00 0.00 C ATOM 1456 CD GLU A 87 13.745 1.205 -3.503 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.109 1.703 -2.415 1.00 0.00 O ATOM 1458 OE2 GLU A 87 14.473 0.457 -4.190 1.00 0.00 O ATOM 0 H GLU A 87 12.160 -0.955 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 87 9.632 0.214 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.670 2.315 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.784 1.407 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.107 0.843 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.349 2.533 -4.430 1.00 0.00 H new ATOM 1465 N ILE A 88 8.768 1.100 -4.602 1.00 0.00 N ATOM 1466 CA ILE A 88 8.030 1.213 -5.857 1.00 0.00 C ATOM 1467 C ILE A 88 7.738 2.673 -6.190 1.00 0.00 C ATOM 1468 O ILE A 88 8.109 3.578 -5.442 1.00 0.00 O ATOM 1469 CB ILE A 88 6.696 0.442 -5.805 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.959 0.725 -4.492 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.932 -1.050 -5.977 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.632 1.426 -4.684 1.00 0.00 C ATOM 0 H ILE A 88 8.494 1.779 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 88 8.662 0.778 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 88 6.070 0.786 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.791 -0.216 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.595 1.337 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.978 -1.576 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.408 -1.234 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.579 -1.411 -5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.166 1.595 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.794 2.383 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.978 0.806 -5.298 1.00 0.00 H new ATOM 1484 N LEU A 89 7.066 2.895 -7.317 1.00 0.00 N ATOM 1485 CA LEU A 89 6.720 4.246 -7.744 1.00 0.00 C ATOM 1486 C LEU A 89 5.255 4.552 -7.437 1.00 0.00 C ATOM 1487 O LEU A 89 4.433 3.642 -7.325 1.00 0.00 O ATOM 1488 CB LEU A 89 6.983 4.416 -9.243 1.00 0.00 C ATOM 1489 CG LEU A 89 6.535 3.243 -10.118 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.877 3.747 -11.394 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.717 2.343 -10.446 1.00 0.00 C ATOM 0 H LEU A 89 6.751 2.158 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 89 7.346 4.946 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.476 5.318 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.051 4.574 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 89 5.801 2.660 -9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.566 2.898 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.006 4.351 -11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.588 4.354 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.381 1.514 -11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.473 2.916 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.145 1.953 -9.522 1.00 0.00 H new ATOM 1503 N PRO A 90 4.910 5.843 -7.296 1.00 0.00 N ATOM 1504 CA PRO A 90 3.536 6.264 -6.998 1.00 0.00 C ATOM 1505 C PRO A 90 2.598 6.071 -8.186 1.00 0.00 C ATOM 1506 O PRO A 90 1.382 5.968 -8.017 1.00 0.00 O ATOM 1507 CB PRO A 90 3.685 7.752 -6.672 1.00 0.00 C ATOM 1508 CG PRO A 90 4.905 8.180 -7.411 1.00 0.00 C ATOM 1509 CD PRO A 90 5.828 6.992 -7.413 1.00 0.00 C ATOM 0 HA PRO A 90 3.096 5.677 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.810 8.317 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.794 7.914 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.658 8.484 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.373 9.037 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.418 6.943 -8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.532 7.029 -6.582 1.00 0.00 H new ATOM 1517 N ARG A 91 3.167 6.026 -9.387 1.00 0.00 N ATOM 1518 CA ARG A 91 2.379 5.849 -10.601 1.00 0.00 C ATOM 1519 C ARG A 91 1.565 4.559 -10.545 1.00 0.00 C ATOM 1520 O ARG A 91 0.348 4.574 -10.725 1.00 0.00 O ATOM 1521 CB ARG A 91 3.294 5.840 -11.828 1.00 0.00 C ATOM 1522 CG ARG A 91 3.005 6.965 -12.810 1.00 0.00 C ATOM 1523 CD ARG A 91 2.359 6.446 -14.086 1.00 0.00 C ATOM 1524 NE ARG A 91 3.230 6.610 -15.247 1.00 0.00 N ATOM 1525 CZ ARG A 91 3.483 7.782 -15.825 1.00 0.00 C ATOM 1526 NH1 ARG A 91 2.936 8.894 -15.352 1.00 0.00 N ATOM 1527 NH2 ARG A 91 4.287 7.843 -16.878 1.00 0.00 N ATOM 0 H ARG A 91 4.171 6.110 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 91 1.685 6.686 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.330 5.913 -11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.190 4.884 -12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.348 7.697 -12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.933 7.481 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.112 5.391 -13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.422 6.975 -14.259 1.00 0.00 H new ATOM 0 HE ARG A 91 3.670 5.777 -15.638 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.318 8.854 -14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.133 9.789 -15.799 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.712 6.992 -17.245 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.481 8.741 -17.321 1.00 0.00 H new ATOM 1541 N GLN A 92 2.246 3.445 -10.294 1.00 0.00 N ATOM 1542 CA GLN A 92 1.584 2.147 -10.215 1.00 0.00 C ATOM 1543 C GLN A 92 0.648 2.086 -9.013 1.00 0.00 C ATOM 1544 O GLN A 92 -0.437 1.511 -9.086 1.00 0.00 O ATOM 1545 CB GLN A 92 2.622 1.027 -10.126 1.00 0.00 C ATOM 1546 CG GLN A 92 3.122 0.550 -11.479 1.00 0.00 C ATOM 1547 CD GLN A 92 2.003 0.042 -12.368 1.00 0.00 C ATOM 1548 OE1 GLN A 92 1.641 -1.133 -12.317 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.450 0.927 -13.188 1.00 0.00 N ATOM 0 H GLN A 92 3.254 3.415 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 92 0.992 2.013 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.470 1.376 -9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.188 0.183 -9.591 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.637 1.369 -11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.854 -0.244 -11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.782 1.891 -13.197 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.693 0.643 -13.810 1.00 0.00 H new ATOM 1558 N PHE A 93 1.078 2.684 -7.906 1.00 0.00 N ATOM 1559 CA PHE A 93 0.282 2.699 -6.686 1.00 0.00 C ATOM 1560 C PHE A 93 -1.075 3.346 -6.930 1.00 0.00 C ATOM 1561 O PHE A 93 -2.115 2.760 -6.629 1.00 0.00 O ATOM 1562 CB PHE A 93 1.021 3.446 -5.573 1.00 0.00 C ATOM 1563 CG PHE A 93 0.336 3.356 -4.239 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.831 4.062 -3.997 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.861 2.566 -3.228 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.464 3.981 -2.771 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.231 2.482 -2.001 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.932 3.190 -1.772 1.00 0.00 C ATOM 0 H PHE A 93 1.974 3.165 -7.830 1.00 0.00 H new ATOM 0 HA PHE A 93 0.124 1.666 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.030 3.044 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.120 4.495 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.251 4.683 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.771 2.011 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.374 4.536 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.648 1.862 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.425 3.125 -0.813 1.00 0.00 H new ATOM 1578 N GLU A 94 -1.061 4.555 -7.481 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.297 5.270 -7.764 1.00 0.00 C ATOM 1580 C GLU A 94 -3.054 4.609 -8.911 1.00 0.00 C ATOM 1581 O GLU A 94 -4.273 4.747 -9.019 1.00 0.00 O ATOM 1582 CB GLU A 94 -2.015 6.737 -8.088 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.636 7.700 -7.089 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.704 8.023 -5.938 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -1.188 7.073 -5.312 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -1.491 9.221 -5.664 1.00 0.00 O ATOM 0 H GLU A 94 -0.211 5.057 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.920 5.229 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.937 6.896 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.395 6.962 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.910 8.623 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.557 7.268 -6.697 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.333 3.874 -9.755 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.957 3.181 -10.874 1.00 0.00 C ATOM 1595 C GLU A 95 -4.002 2.214 -10.343 1.00 0.00 C ATOM 1596 O GLU A 95 -5.159 2.224 -10.769 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.903 2.426 -11.688 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.921 2.767 -13.168 1.00 0.00 C ATOM 1599 CD GLU A 95 -3.227 2.391 -13.838 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -3.385 1.210 -14.214 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -4.093 3.279 -13.989 1.00 0.00 O ATOM 0 H GLU A 95 -1.324 3.745 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.436 3.910 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.915 2.649 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.062 1.354 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.748 3.836 -13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.100 2.251 -13.666 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.587 1.396 -9.384 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.479 0.438 -8.761 1.00 0.00 C ATOM 1610 C ILE A 96 -5.424 1.153 -7.806 1.00 0.00 C ATOM 1611 O ILE A 96 -6.568 0.740 -7.615 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.686 -0.630 -7.997 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.562 -1.174 -8.880 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.606 -1.753 -7.539 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.031 -1.621 -10.251 1.00 0.00 C ATOM 0 H ILE A 96 -2.633 1.380 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.056 -0.052 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.244 -0.175 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.800 -0.404 -8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.089 -2.016 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.026 -2.501 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.376 -1.348 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.076 -2.215 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.181 -1.995 -10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.772 -2.413 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.478 -0.777 -10.776 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.937 2.247 -7.223 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.733 3.047 -6.303 1.00 0.00 C ATOM 1629 C TRP A 97 -7.002 3.519 -6.998 1.00 0.00 C ATOM 1630 O TRP A 97 -8.070 3.587 -6.394 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.920 4.249 -5.816 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.400 4.811 -4.513 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.953 6.041 -4.307 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.361 4.167 -3.235 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.265 6.202 -2.978 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.910 5.063 -2.298 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.916 2.918 -2.792 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.025 4.748 -0.945 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.031 2.607 -1.451 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.581 3.519 -0.542 1.00 0.00 C ATOM 0 H TRP A 97 -3.991 2.598 -7.374 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.006 2.437 -5.442 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.876 3.952 -5.711 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.955 5.031 -6.574 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -6.121 6.780 -5.076 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.691 7.032 -2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.490 2.209 -3.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.449 5.449 -0.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.691 1.645 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.656 3.246 0.500 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.872 3.828 -8.283 1.00 0.00 N ATOM 1652 CA GLU A 98 -8.004 4.278 -9.082 1.00 0.00 C ATOM 1653 C GLU A 98 -8.771 3.080 -9.635 1.00 0.00 C ATOM 1654 O GLU A 98 -9.980 3.151 -9.856 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.523 5.168 -10.231 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.501 6.274 -10.592 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.353 6.735 -12.029 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.235 6.627 -12.574 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -9.356 7.202 -12.609 1.00 0.00 O ATOM 0 H GLU A 98 -5.991 3.775 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.670 4.858 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.567 5.614 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.347 4.549 -11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.519 5.921 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.348 7.122 -9.924 1.00 0.00 H new ATOM 1666 N ARG A 99 -8.055 1.979 -9.856 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.660 0.761 -10.384 1.00 0.00 C ATOM 1668 C ARG A 99 -9.810 0.289 -9.497 1.00 0.00 C ATOM 1669 O ARG A 99 -10.920 0.057 -9.974 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.612 -0.346 -10.500 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.745 -0.236 -11.743 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.478 -1.601 -12.362 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.983 -2.560 -11.377 1.00 0.00 N ATOM 1674 CZ ARG A 99 -5.352 -3.689 -11.694 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -5.137 -4.003 -12.966 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -4.936 -4.506 -10.736 1.00 0.00 N ATOM 0 H ARG A 99 -7.053 1.907 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.056 0.987 -11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.972 -0.323 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.116 -1.313 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.236 0.406 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.798 0.239 -11.486 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.396 -1.982 -12.810 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.750 -1.498 -13.166 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.129 -2.353 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.456 -3.378 -13.706 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.653 -4.869 -13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.099 -4.269 -9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.453 -5.371 -10.978 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.534 0.140 -8.204 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.544 -0.311 -7.254 1.00 0.00 C ATOM 1692 C CYS A 100 -11.415 0.851 -6.776 1.00 0.00 C ATOM 1693 O CYS A 100 -12.516 1.058 -7.285 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.878 -1.003 -6.060 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.035 -1.563 -4.785 1.00 0.00 S ATOM 0 H CYS A 100 -8.620 0.325 -7.791 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.190 -1.026 -7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.311 -1.861 -6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.163 -0.315 -5.609 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.396 -1.740 -3.667 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.919 1.602 -5.797 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.674 2.727 -5.276 1.00 0.00 C ATOM 1703 C GLY A 101 -10.916 3.503 -4.217 1.00 0.00 C ATOM 1704 O GLY A 101 -11.504 3.974 -3.244 1.00 0.00 O ATOM 0 H GLY A 101 -10.011 1.452 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.932 3.397 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.611 2.365 -4.854 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.608 3.641 -4.408 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.790 4.371 -3.459 1.00 0.00 C ATOM 1710 C GLY A 102 -9.286 5.783 -3.236 1.00 0.00 C ATOM 1711 O GLY A 102 -9.707 6.135 -2.135 1.00 0.00 O ATOM 0 H GLY A 102 -9.100 3.259 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.779 3.838 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.762 4.403 -3.819 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.239 6.595 -4.286 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.692 7.974 -4.206 1.00 0.00 C ATOM 1717 C ILE A 103 -11.110 8.057 -3.649 1.00 0.00 C ATOM 1718 O ILE A 103 -11.459 9.003 -2.944 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.651 8.647 -5.587 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.281 8.430 -6.230 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.962 10.130 -5.468 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.258 7.294 -7.228 1.00 0.00 C ATOM 0 H ILE A 103 -8.890 6.319 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.014 8.497 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.411 8.194 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.973 9.349 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.548 8.231 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.928 10.589 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.956 10.260 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.225 10.606 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.256 7.196 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.535 6.366 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.966 7.500 -8.030 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.922 7.052 -3.966 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.300 7.006 -3.495 1.00 0.00 C ATOM 1736 C GLN A 104 -13.342 6.792 -1.986 1.00 0.00 C ATOM 1737 O GLN A 104 -14.084 7.466 -1.271 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.067 5.889 -4.205 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.550 6.272 -5.594 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.599 5.824 -6.687 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.551 4.646 -7.041 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.833 6.766 -7.226 1.00 0.00 N ATOM 0 H GLN A 104 -11.648 6.260 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.774 7.960 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.426 5.011 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.925 5.605 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.531 5.830 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.674 7.354 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.906 7.730 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.172 6.525 -7.964 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.533 5.852 -1.506 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.470 5.551 -0.081 1.00 0.00 C ATOM 1753 C TYR A 105 -11.855 6.719 0.683 1.00 0.00 C ATOM 1754 O TYR A 105 -12.322 7.086 1.762 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.654 4.275 0.153 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.348 3.997 1.609 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.370 3.820 2.532 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.035 3.913 2.057 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.093 3.566 3.863 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.751 3.659 3.385 1.00 0.00 C ATOM 1761 CZ TYR A 105 -10.781 3.486 4.283 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.502 3.233 5.607 1.00 0.00 O ATOM 0 H TYR A 105 -11.912 5.286 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.484 5.392 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.199 3.427 -0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.716 4.350 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.398 3.882 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.224 4.048 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.899 3.431 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.725 3.596 3.718 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.532 3.255 5.747 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.805 7.300 0.112 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.122 8.429 0.731 1.00 0.00 C ATOM 1774 C LEU A 106 -11.025 9.658 0.763 1.00 0.00 C ATOM 1775 O LEU A 106 -11.206 10.280 1.807 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.830 8.746 -0.025 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.573 8.854 0.840 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.439 9.493 0.054 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.857 9.648 2.108 1.00 0.00 C ATOM 0 H LEU A 106 -10.408 7.006 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.875 8.157 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.669 7.972 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.964 9.686 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.270 7.848 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.553 9.562 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.215 8.884 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.736 10.492 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.949 9.712 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.188 10.652 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.637 9.149 2.683 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.591 9.997 -0.391 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.477 11.149 -0.498 1.00 0.00 C ATOM 1793 C GLN A 107 -13.692 10.987 0.414 1.00 0.00 C ATOM 1794 O GLN A 107 -14.260 11.969 0.891 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.918 11.352 -1.953 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.979 10.369 -2.425 1.00 0.00 C ATOM 1797 CD GLN A 107 -15.297 11.046 -2.753 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -15.964 10.692 -3.726 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -15.678 12.025 -1.941 1.00 0.00 N ATOM 0 H GLN A 107 -11.451 9.490 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.927 12.034 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.302 12.366 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.046 11.267 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.615 9.843 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.143 9.618 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.094 12.285 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.555 12.517 -2.112 1.00 0.00 H new ATOM 1808 N SER A 108 -14.084 9.737 0.649 1.00 0.00 N ATOM 1809 CA SER A 108 -15.230 9.440 1.503 1.00 0.00 C ATOM 1810 C SER A 108 -14.928 9.795 2.954 1.00 0.00 C ATOM 1811 O SER A 108 -15.695 10.509 3.602 1.00 0.00 O ATOM 1812 CB SER A 108 -15.603 7.960 1.393 1.00 0.00 C ATOM 1813 OG SER A 108 -16.489 7.579 2.432 1.00 0.00 O ATOM 0 H SER A 108 -13.624 8.914 0.260 1.00 0.00 H new ATOM 0 HA SER A 108 -16.072 10.045 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.068 7.770 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.701 7.350 1.438 1.00 0.00 H new ATOM 0 HG SER A 108 -16.713 6.630 2.339 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.796 9.312 3.455 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.386 9.602 4.822 1.00 0.00 C ATOM 1821 C ALA A 109 -12.969 11.059 4.924 1.00 0.00 C ATOM 1822 O ALA A 109 -13.185 11.721 5.941 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.247 8.686 5.244 1.00 0.00 C ATOM 0 H ALA A 109 -13.148 8.720 2.936 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.225 9.423 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.954 8.918 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.574 7.648 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.395 8.835 4.581 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.385 11.553 3.839 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.944 12.932 3.755 1.00 0.00 C ATOM 1831 C ILE A 110 -13.116 13.873 4.027 1.00 0.00 C ATOM 1832 O ILE A 110 -12.998 14.824 4.798 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.345 13.216 2.359 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.874 12.802 2.315 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.493 14.678 1.980 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.265 12.877 0.931 1.00 0.00 C ATOM 0 H ILE A 110 -12.206 11.007 2.996 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.173 13.102 4.507 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.900 12.624 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.305 13.442 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.781 11.783 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.061 14.843 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.550 14.944 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.974 15.298 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.220 12.569 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.810 12.215 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.326 13.901 0.562 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.249 13.586 3.394 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.451 14.390 3.576 1.00 0.00 C ATOM 1850 C GLU A 111 -15.995 14.208 4.986 1.00 0.00 C ATOM 1851 O GLU A 111 -16.475 15.157 5.609 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.516 13.998 2.548 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.233 14.517 1.148 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.496 14.901 0.401 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -18.338 15.613 0.988 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.643 14.488 -0.767 1.00 0.00 O ATOM 0 H GLU A 111 -14.359 12.802 2.750 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.193 15.439 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.593 12.911 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.484 14.377 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.576 15.384 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.699 13.753 0.583 1.00 0.00 H new ATOM 1863 N SER A 112 -15.904 12.979 5.488 1.00 0.00 N ATOM 1864 CA SER A 112 -16.373 12.664 6.832 1.00 0.00 C ATOM 1865 C SER A 112 -15.439 13.255 7.888 1.00 0.00 C ATOM 1866 O SER A 112 -15.761 13.264 9.075 1.00 0.00 O ATOM 1867 CB SER A 112 -16.473 11.148 7.016 1.00 0.00 C ATOM 1868 OG SER A 112 -17.320 10.821 8.104 1.00 0.00 O ATOM 0 H SER A 112 -15.509 12.186 4.983 1.00 0.00 H new ATOM 0 HA SER A 112 -17.361 13.106 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.856 10.692 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.480 10.733 7.187 1.00 0.00 H new ATOM 0 HG SER A 112 -17.134 11.422 8.855 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.280 13.746 7.445 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.293 14.339 8.343 1.00 0.00 C ATOM 1876 C ARG A 113 -12.651 13.279 9.229 1.00 0.00 C ATOM 1877 O ARG A 113 -12.277 13.548 10.370 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.927 15.436 9.203 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.379 16.648 8.402 1.00 0.00 C ATOM 1880 CD ARG A 113 -15.879 16.631 8.159 1.00 0.00 C ATOM 1881 NE ARG A 113 -16.615 17.297 9.231 1.00 0.00 N ATOM 1882 CZ ARG A 113 -17.914 17.118 9.461 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -18.625 16.298 8.696 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -18.504 17.762 10.458 1.00 0.00 N ATOM 0 H ARG A 113 -14.003 13.743 6.463 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.514 14.788 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.784 15.021 9.734 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.209 15.756 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.107 17.559 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.855 16.669 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -16.098 17.121 7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -16.220 15.600 8.071 1.00 0.00 H new ATOM 0 HE ARG A 113 -16.104 17.937 9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -18.176 15.801 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -19.620 16.165 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.963 18.394 11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -19.499 17.626 10.635 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.516 12.074 8.686 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.906 10.969 9.414 1.00 0.00 C ATOM 1900 C GLN A 114 -10.507 10.684 8.874 1.00 0.00 C ATOM 1901 O GLN A 114 -9.649 10.163 9.586 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.776 9.715 9.306 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.682 9.502 10.508 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.271 8.105 10.554 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.628 7.535 9.523 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.374 7.546 11.754 1.00 0.00 N ATOM 0 H GLN A 114 -12.822 11.838 7.742 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.826 11.251 10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.388 9.783 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.131 8.844 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.116 9.684 11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.491 10.233 10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -14.065 8.055 12.582 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.762 6.607 11.848 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.286 11.032 7.609 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.996 10.821 6.967 1.00 0.00 C ATOM 1917 C ALA A 115 -7.977 11.854 7.432 1.00 0.00 C ATOM 1918 O ALA A 115 -7.852 12.924 6.840 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.146 10.875 5.454 1.00 0.00 C ATOM 0 H ALA A 115 -10.988 11.463 7.008 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.633 9.834 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.174 10.716 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.837 10.097 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.534 11.851 5.161 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.247 11.529 8.497 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.237 12.434 9.040 1.00 0.00 C ATOM 1927 C ARG A 116 -5.325 12.958 7.932 1.00 0.00 C ATOM 1928 O ARG A 116 -4.470 12.231 7.426 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.403 11.722 10.105 1.00 0.00 C ATOM 1930 CG ARG A 116 -5.982 11.840 11.506 1.00 0.00 C ATOM 1931 CD ARG A 116 -5.539 10.687 12.391 1.00 0.00 C ATOM 1932 NE ARG A 116 -5.342 11.107 13.777 1.00 0.00 N ATOM 1933 CZ ARG A 116 -5.306 10.264 14.807 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -5.453 8.960 14.612 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -5.124 10.729 16.037 1.00 0.00 N ATOM 0 H ARG A 116 -7.336 10.646 9.000 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.751 13.280 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.317 10.667 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.394 12.134 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.668 12.784 11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -7.070 11.860 11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.286 9.894 12.355 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.610 10.268 12.003 1.00 0.00 H new ATOM 0 HE ARG A 116 -5.225 12.103 13.966 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.595 8.598 13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.424 8.319 15.405 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -5.012 11.731 16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.096 10.084 16.827 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.497 14.231 7.532 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.685 14.838 6.473 1.00 0.00 C ATOM 1951 C PRO A 117 -3.189 14.705 6.734 1.00 0.00 C ATOM 1952 O PRO A 117 -2.608 15.483 7.491 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.106 16.310 6.496 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.474 16.305 7.083 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.495 15.173 8.071 1.00 0.00 C ATOM 0 HA PRO A 117 -4.846 14.351 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.420 16.908 7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.107 16.737 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.692 17.254 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.230 16.163 6.311 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.230 15.509 9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.483 14.717 8.139 1.00 0.00 H new ATOM 1963 N THR A 118 -2.572 13.716 6.096 1.00 0.00 N ATOM 1964 CA THR A 118 -1.142 13.478 6.251 1.00 0.00 C ATOM 1965 C THR A 118 -0.405 13.771 4.949 1.00 0.00 C ATOM 1966 O THR A 118 0.652 14.403 4.949 1.00 0.00 O ATOM 1967 CB THR A 118 -0.887 12.032 6.680 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.577 11.735 7.881 1.00 0.00 O ATOM 1969 CG2 THR A 118 0.578 11.724 6.905 1.00 0.00 C ATOM 0 H THR A 118 -3.041 13.065 5.466 1.00 0.00 H new ATOM 0 HA THR A 118 -0.766 14.148 7.024 1.00 0.00 H new ATOM 0 HB THR A 118 -1.249 11.419 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.543 11.801 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.689 10.683 7.207 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.132 11.895 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.970 12.373 7.688 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.973 13.310 3.838 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.373 13.523 2.526 1.00 0.00 C ATOM 1979 C TYR A 119 -1.247 12.932 1.424 1.00 0.00 C ATOM 1980 O TYR A 119 -1.513 13.584 0.414 1.00 0.00 O ATOM 1981 CB TYR A 119 1.025 12.905 2.469 1.00 0.00 C ATOM 1982 CG TYR A 119 1.717 13.096 1.138 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.333 12.363 0.023 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.749 14.013 0.997 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.961 12.538 -1.196 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.381 14.194 -0.218 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.984 13.455 -1.310 1.00 0.00 C ATOM 1988 OH TYR A 119 3.610 13.633 -2.524 1.00 0.00 O ATOM 0 H TYR A 119 -1.848 12.786 3.821 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.292 14.598 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.640 13.344 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.951 11.838 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.531 11.645 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.063 14.595 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.652 11.960 -2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.183 14.912 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 119 4.308 14.316 -2.435 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.687 11.693 1.623 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.528 11.014 0.642 1.00 0.00 C ATOM 2000 C ALA A 120 -3.784 11.821 0.338 1.00 0.00 C ATOM 2001 O ALA A 120 -4.224 11.892 -0.809 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.900 9.625 1.134 1.00 0.00 C ATOM 0 H ALA A 120 -1.476 11.139 2.453 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.956 10.920 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.527 9.132 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.994 9.040 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.446 9.706 2.074 1.00 0.00 H new ATOM 2008 N THR A 121 -4.358 12.429 1.369 1.00 0.00 N ATOM 2009 CA THR A 121 -5.563 13.230 1.200 1.00 0.00 C ATOM 2010 C THR A 121 -5.254 14.501 0.416 1.00 0.00 C ATOM 2011 O THR A 121 -6.058 14.942 -0.405 1.00 0.00 O ATOM 2012 CB THR A 121 -6.166 13.583 2.558 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.197 14.182 3.398 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.734 12.384 3.286 1.00 0.00 C ATOM 0 H THR A 121 -4.010 12.383 2.327 1.00 0.00 H new ATOM 0 HA THR A 121 -6.289 12.642 0.639 1.00 0.00 H new ATOM 0 HB THR A 121 -6.979 14.276 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.500 15.076 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.147 12.702 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.522 11.932 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.943 11.654 3.456 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.082 15.078 0.664 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.670 16.289 -0.032 1.00 0.00 C ATOM 2024 C ALA A 122 -3.610 16.042 -1.533 1.00 0.00 C ATOM 2025 O ALA A 122 -4.300 16.700 -2.318 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.318 16.761 0.483 1.00 0.00 C ATOM 0 H ALA A 122 -3.404 14.727 1.340 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.406 17.069 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.023 17.667 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.388 16.971 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.573 15.983 0.315 1.00 0.00 H new ATOM 2032 N MET A 123 -2.793 15.072 -1.923 1.00 0.00 N ATOM 2033 CA MET A 123 -2.650 14.708 -3.326 1.00 0.00 C ATOM 2034 C MET A 123 -4.001 14.302 -3.904 1.00 0.00 C ATOM 2035 O MET A 123 -4.260 14.489 -5.092 1.00 0.00 O ATOM 2036 CB MET A 123 -1.618 13.590 -3.492 1.00 0.00 C ATOM 2037 CG MET A 123 -1.770 12.455 -2.492 1.00 0.00 C ATOM 2038 SD MET A 123 -2.202 10.891 -3.276 1.00 0.00 S ATOM 2039 CE MET A 123 -3.492 11.428 -4.394 1.00 0.00 C ATOM 0 H MET A 123 -2.218 14.522 -1.285 1.00 0.00 H new ATOM 0 HA MET A 123 -2.290 15.576 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.696 13.185 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.619 14.015 -3.395 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.838 12.335 -1.940 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.539 12.717 -1.765 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.780 10.600 -5.042 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.358 11.757 -3.819 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.125 12.255 -5.002 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.868 13.764 -3.047 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.200 13.356 -3.475 1.00 0.00 C ATOM 2051 C LEU A 124 -7.044 14.585 -3.782 1.00 0.00 C ATOM 2052 O LEU A 124 -7.700 14.664 -4.822 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.880 12.513 -2.394 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.845 11.446 -2.917 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.226 10.058 -2.809 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.166 11.508 -2.166 1.00 0.00 C ATOM 0 H LEU A 124 -4.671 13.602 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.104 12.750 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.110 12.024 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.426 13.179 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.040 11.647 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.929 9.316 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.309 10.022 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.996 9.842 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.840 10.742 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.989 11.335 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.617 12.491 -2.304 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.005 15.553 -2.870 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.750 16.795 -3.041 1.00 0.00 C ATOM 2070 C GLN A 125 -7.459 17.386 -4.412 1.00 0.00 C ATOM 2071 O GLN A 125 -8.360 17.869 -5.100 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.382 17.798 -1.946 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.014 17.486 -0.598 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.517 17.308 -0.687 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.278 18.264 -0.530 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -9.954 16.079 -0.937 1.00 0.00 N ATOM 0 H GLN A 125 -6.466 15.500 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.815 16.577 -2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.298 17.819 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.690 18.795 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.568 16.578 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.788 18.292 0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.288 15.316 -1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.955 15.898 -1.006 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.194 17.321 -4.810 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.782 17.828 -6.110 1.00 0.00 C ATOM 2087 C ASN A 126 -6.201 16.854 -7.201 1.00 0.00 C ATOM 2088 O ASN A 126 -6.565 17.257 -8.305 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.269 18.050 -6.150 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.761 18.789 -4.928 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.368 19.762 -4.480 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.640 18.331 -4.381 1.00 0.00 N ATOM 0 H ASN A 126 -5.439 16.923 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.271 18.787 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.765 17.086 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.011 18.614 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.250 18.789 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.169 17.521 -4.785 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.166 15.566 -6.872 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.563 14.529 -7.810 1.00 0.00 C ATOM 2101 C LEU A 127 -8.018 14.721 -8.230 1.00 0.00 C ATOM 2102 O LEU A 127 -8.452 14.206 -9.260 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.379 13.151 -7.169 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.706 12.103 -8.060 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.486 11.516 -7.366 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.693 11.005 -8.428 1.00 0.00 C ATOM 0 H LEU A 127 -5.866 15.218 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.933 14.598 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.788 13.266 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.356 12.775 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.376 12.591 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.021 10.773 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.771 12.311 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.791 11.043 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.198 10.269 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.053 10.520 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.536 11.439 -8.966 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.768 15.468 -7.419 1.00 0.00 N ATOM 2119 CA LEU A 128 -10.172 15.730 -7.703 1.00 0.00 C ATOM 2120 C LEU A 128 -10.587 17.100 -7.180 1.00 0.00 C ATOM 2121 O LEU A 128 -11.165 17.214 -6.097 1.00 0.00 O ATOM 2122 CB LEU A 128 -11.045 14.647 -7.074 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.872 14.490 -5.566 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -12.151 14.871 -4.837 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.458 13.068 -5.218 1.00 0.00 C ATOM 0 H LEU A 128 -8.423 15.900 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.309 15.719 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -12.090 14.873 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.821 13.694 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.080 15.165 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.007 14.752 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -12.400 15.909 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.964 14.225 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.340 12.977 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.225 12.372 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.512 12.834 -5.707 1.00 0.00 H new ATOM 2137 N LYS A 129 -10.291 18.139 -7.952 1.00 0.00 N ATOM 2138 CA LYS A 129 -10.635 19.502 -7.567 1.00 0.00 C ATOM 2139 C LYS A 129 -12.142 19.653 -7.387 1.00 0.00 C ATOM 2140 O LYS A 129 -12.891 19.188 -8.270 1.00 0.00 O ATOM 2141 CB LYS A 129 -10.132 20.494 -8.617 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.728 21.008 -8.345 1.00 0.00 C ATOM 2143 CD LYS A 129 -7.675 20.106 -8.969 1.00 0.00 C ATOM 2144 CE LYS A 129 -7.620 20.275 -10.478 1.00 0.00 C ATOM 2145 NZ LYS A 129 -6.888 21.508 -10.873 1.00 0.00 N ATOM 2146 OXT LYS A 129 -12.559 20.235 -6.364 1.00 0.00 O ATOM 0 H LYS A 129 -9.813 18.063 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.151 19.717 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -10.151 20.015 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -10.817 21.340 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -8.626 22.018 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -8.564 21.071 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.699 20.334 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -7.895 19.066 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.134 19.407 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -8.634 20.312 -10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.873 21.586 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.366 22.339 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.912 21.462 -10.515 1.00 0.00 H new TER 2160 LYS A 129