USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 698 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 105 MET CE :methyl -133:sc= -0.634 (180deg=-1.27) USER MOD Set 1.2: A 109 GLN : amide:sc= -0.443 X(o=-1.1,f=-1) USER MOD Set 2.1: A 31 HIS :FLIP no HD1:sc= -0.452 X(o=-3,f=-2.6) USER MOD Set 2.2: A 35 HIS :FLIP no HD1:sc= -2.01 F(o=-3.2,f=-2.6) USER MOD Set 2.3: A 55 HIS : no HD1:sc= -0.147 K(o=-2.6,f=-8.6!) USER MOD Set 2.4: A 99 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 3.1: A 84 LYS NZ :NH3+ -179:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.582! C(o=0.64!,f=-11!) USER MOD Set 4.1: A 33 GLN : amide:sc= -0.0404 K(o=0.37,f=-3!) USER MOD Set 4.2: A 37 THR OG1 : rot -81:sc= 0.477 USER MOD Set 4.3: A 85 GLN :FLIP amide:sc= -0.0612 F(o=-0.49,f=0.37) USER MOD Set 5.1: A 61 ASN : amide:sc= 0.0273 X(o=-1.5,f=-1.4) USER MOD Set 5.2: A 64 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.4) USER MOD Set 6.1: A 28 GLN : amide:sc= -0.697 K(o=-1.1,f=-4.1!) USER MOD Set 6.2: A 62 GLN : amide:sc= -0.389 X(o=-1.1,f=-1) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0.827 USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0647) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 34 MET CE :methyl 162:sc= 0 (180deg=-0.186) USER MOD Single : A 38 SER OG : rot 84:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0773 (180deg=-0.316) USER MOD Single : A 69 GLN : amide:sc= 0.0376 X(o=0.038,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -3.04 F(o=-4.4,f=-3) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc=-0.00625 (180deg=-0.227) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0443 F(o=-1,f=-0.044) USER MOD Single : A 81 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.7!) USER MOD Single : A 83 GLN : amide:sc=-0.00186 K(o=-0.0019,f=-0.86) USER MOD Single : A 87 GLN : amide:sc= -0.754 K(o=-0.75,f=-3.4!) USER MOD Single : A 90 GLN : amide:sc= -0.0821 X(o=-0.082,f=-0.12) USER MOD Single : A 93 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3.8!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 95 GLN : amide:sc= -0.356 K(o=-0.36,f=-0.87) USER MOD Single : A 97 GLN :FLIP amide:sc=-0.00113 F(o=-1.2!,f=-0.0011) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0035 F(o=-0.93,f=-0.0035) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0012) USER MOD Single : A 104 GLN : amide:sc= -0.161 K(o=-0.16,f=-3.9!) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0234 F(o=-0.6,f=-0.023) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 6.846 -14.976 15.140 1.00 0.00 N ATOM 35 CA CYS A 3 7.564 -15.886 15.997 1.00 0.00 C ATOM 36 C CYS A 3 7.732 -15.283 17.369 1.00 0.00 C ATOM 37 O CYS A 3 7.766 -14.056 17.513 1.00 0.00 O ATOM 38 CB CYS A 3 8.940 -16.195 15.408 1.00 0.00 C ATOM 39 SG CYS A 3 8.934 -16.934 13.731 1.00 0.00 S ATOM 0 HA CYS A 3 6.991 -16.810 16.075 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.518 -15.271 15.377 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.461 -16.874 16.083 1.00 0.00 H new ATOM 44 N THR A 4 7.818 -16.123 18.365 1.00 0.00 N ATOM 45 CA THR A 4 8.015 -15.681 19.718 1.00 0.00 C ATOM 46 C THR A 4 9.499 -15.395 19.969 1.00 0.00 C ATOM 47 O THR A 4 10.363 -15.676 19.109 1.00 0.00 O ATOM 48 CB THR A 4 7.538 -16.758 20.710 1.00 0.00 C ATOM 49 OG1 THR A 4 8.286 -17.976 20.514 1.00 0.00 O ATOM 50 CG2 THR A 4 6.056 -17.050 20.534 1.00 0.00 C ATOM 0 H THR A 4 7.753 -17.136 18.260 1.00 0.00 H new ATOM 0 HA THR A 4 7.435 -14.770 19.866 1.00 0.00 H new ATOM 0 HB THR A 4 7.703 -16.379 21.719 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.222 -18.532 21.318 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.748 -17.814 21.248 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.483 -16.139 20.708 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.873 -17.406 19.520 1.00 0.00 H new ATOM 58 N LYS A 5 9.803 -14.838 21.113 1.00 0.00 N ATOM 59 CA LYS A 5 11.161 -14.586 21.484 1.00 0.00 C ATOM 60 C LYS A 5 11.663 -15.695 22.381 1.00 0.00 C ATOM 61 O LYS A 5 11.579 -15.621 23.610 1.00 0.00 O ATOM 62 CB LYS A 5 11.318 -13.233 22.168 1.00 0.00 C ATOM 63 CG LYS A 5 10.768 -12.059 21.369 1.00 0.00 C ATOM 64 CD LYS A 5 11.374 -11.955 19.971 1.00 0.00 C ATOM 65 CE LYS A 5 12.891 -11.774 19.989 1.00 0.00 C ATOM 66 NZ LYS A 5 13.314 -10.582 20.757 1.00 0.00 N ATOM 0 H LYS A 5 9.114 -14.549 21.808 1.00 0.00 H new ATOM 0 HA LYS A 5 11.760 -14.560 20.573 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.815 -13.267 23.134 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.376 -13.059 22.365 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.686 -12.159 21.284 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.961 -11.134 21.913 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.128 -12.854 19.407 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.920 -11.115 19.446 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.354 -12.662 20.420 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.255 -11.690 18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.340 -10.448 20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.817 -9.742 20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.082 -10.716 21.762 1.00 0.00 H new ATOM 80 N SER A 6 12.059 -16.750 21.756 1.00 0.00 N ATOM 81 CA SER A 6 12.651 -17.879 22.400 1.00 0.00 C ATOM 82 C SER A 6 13.474 -18.575 21.346 1.00 0.00 C ATOM 83 O SER A 6 13.341 -18.243 20.160 1.00 0.00 O ATOM 84 CB SER A 6 11.561 -18.812 22.964 1.00 0.00 C ATOM 85 OG SER A 6 12.117 -19.869 23.731 1.00 0.00 O ATOM 0 H SER A 6 11.978 -16.857 20.745 1.00 0.00 H new ATOM 0 HA SER A 6 13.271 -17.581 23.245 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.874 -18.236 23.584 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.977 -19.227 22.142 1.00 0.00 H new ATOM 0 HG SER A 6 11.397 -20.439 24.074 1.00 0.00 H new ATOM 91 N ILE A 7 14.353 -19.451 21.749 1.00 0.00 N ATOM 92 CA ILE A 7 15.169 -20.218 20.822 1.00 0.00 C ATOM 93 C ILE A 7 15.072 -21.708 21.175 1.00 0.00 C ATOM 94 O ILE A 7 15.459 -22.103 22.276 1.00 0.00 O ATOM 95 CB ILE A 7 16.663 -19.757 20.828 1.00 0.00 C ATOM 96 CG1 ILE A 7 16.807 -18.289 20.355 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.531 -20.682 19.976 1.00 0.00 C ATOM 98 CD1 ILE A 7 16.384 -18.037 18.914 1.00 0.00 C ATOM 0 H ILE A 7 14.531 -19.660 22.731 1.00 0.00 H new ATOM 0 HA ILE A 7 14.787 -20.046 19.816 1.00 0.00 H new ATOM 0 HB ILE A 7 17.013 -19.813 21.859 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.213 -17.651 21.010 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.847 -17.985 20.472 1.00 0.00 H new ATOM 0 HG21 ILE A 7 18.564 -20.336 20.000 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.479 -21.696 20.372 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.170 -20.675 18.948 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.520 -16.983 18.674 1.00 0.00 H new ATOM 0 HD12 ILE A 7 16.994 -18.643 18.244 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.335 -18.304 18.791 1.00 0.00 H new ATOM 110 N PRO A 8 14.531 -22.554 20.282 1.00 0.00 N ATOM 111 CA PRO A 8 13.994 -22.141 18.981 1.00 0.00 C ATOM 112 C PRO A 8 12.668 -21.394 19.138 1.00 0.00 C ATOM 113 O PRO A 8 11.884 -21.683 20.059 1.00 0.00 O ATOM 114 CB PRO A 8 13.771 -23.471 18.239 1.00 0.00 C ATOM 115 CG PRO A 8 14.465 -24.497 19.062 1.00 0.00 C ATOM 116 CD PRO A 8 14.409 -23.993 20.465 1.00 0.00 C ATOM 0 HA PRO A 8 14.663 -21.460 18.455 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.709 -23.695 18.143 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.181 -23.432 17.230 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.975 -25.467 18.974 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.496 -24.630 18.734 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.475 -24.263 20.957 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.218 -24.396 21.074 1.00 0.00 H new ATOM 124 N PRO A 9 12.405 -20.423 18.272 1.00 0.00 N ATOM 125 CA PRO A 9 11.206 -19.605 18.356 1.00 0.00 C ATOM 126 C PRO A 9 9.952 -20.383 17.995 1.00 0.00 C ATOM 127 O PRO A 9 10.004 -21.383 17.256 1.00 0.00 O ATOM 128 CB PRO A 9 11.456 -18.506 17.326 1.00 0.00 C ATOM 129 CG PRO A 9 12.361 -19.134 16.333 1.00 0.00 C ATOM 130 CD PRO A 9 13.253 -20.038 17.124 1.00 0.00 C ATOM 0 HA PRO A 9 11.036 -19.235 19.367 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.526 -18.175 16.863 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.914 -17.629 17.783 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.797 -19.693 15.586 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.940 -18.381 15.798 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.564 -20.906 16.543 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.161 -19.528 17.446 1.00 0.00 H new ATOM 138 N ILE A 10 8.846 -19.959 18.531 1.00 0.00 N ATOM 139 CA ILE A 10 7.586 -20.559 18.216 1.00 0.00 C ATOM 140 C ILE A 10 6.974 -19.719 17.124 1.00 0.00 C ATOM 141 O ILE A 10 6.601 -18.568 17.356 1.00 0.00 O ATOM 142 CB ILE A 10 6.648 -20.589 19.456 1.00 0.00 C ATOM 143 CG1 ILE A 10 7.347 -21.274 20.654 1.00 0.00 C ATOM 144 CG2 ILE A 10 5.324 -21.278 19.132 1.00 0.00 C ATOM 145 CD1 ILE A 10 7.811 -22.694 20.386 1.00 0.00 C ATOM 0 H ILE A 10 8.793 -19.189 19.198 1.00 0.00 H new ATOM 0 HA ILE A 10 7.725 -21.593 17.899 1.00 0.00 H new ATOM 0 HB ILE A 10 6.426 -19.558 19.733 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.208 -20.673 20.947 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.661 -21.283 21.501 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.690 -21.283 20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.821 -20.740 18.329 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.515 -22.304 18.817 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.289 -23.095 21.280 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.953 -23.314 20.124 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.524 -22.694 19.562 1.00 0.00 H new ATOM 157 N CYS A 11 6.946 -20.243 15.943 1.00 0.00 N ATOM 158 CA CYS A 11 6.466 -19.502 14.824 1.00 0.00 C ATOM 159 C CYS A 11 5.096 -19.941 14.401 1.00 0.00 C ATOM 160 O CYS A 11 4.774 -21.140 14.376 1.00 0.00 O ATOM 161 CB CYS A 11 7.447 -19.573 13.663 1.00 0.00 C ATOM 162 SG CYS A 11 9.099 -18.928 14.068 1.00 0.00 S ATOM 0 H CYS A 11 7.253 -21.191 15.727 1.00 0.00 H new ATOM 0 HA CYS A 11 6.384 -18.462 15.139 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.540 -20.610 13.339 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.043 -19.011 12.821 1.00 0.00 H new ATOM 310 N CYS A 22 2.936 -9.242 -2.138 1.00 0.00 N ATOM 311 CA CYS A 22 4.194 -8.919 -1.601 1.00 0.00 C ATOM 312 C CYS A 22 3.996 -8.212 -0.281 1.00 0.00 C ATOM 313 O CYS A 22 3.162 -7.305 -0.170 1.00 0.00 O ATOM 314 CB CYS A 22 4.970 -8.060 -2.567 1.00 0.00 C ATOM 315 SG CYS A 22 5.480 -8.910 -4.085 1.00 0.00 S ATOM 0 HA CYS A 22 4.770 -9.829 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.361 -7.197 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.858 -7.679 -2.063 1.00 0.00 H new ATOM 320 N GLN A 23 4.684 -8.665 0.720 1.00 0.00 N ATOM 321 CA GLN A 23 4.625 -8.057 2.014 1.00 0.00 C ATOM 322 C GLN A 23 5.909 -7.295 2.257 1.00 0.00 C ATOM 323 O GLN A 23 6.931 -7.848 2.650 1.00 0.00 O ATOM 324 CB GLN A 23 4.354 -9.094 3.109 1.00 0.00 C ATOM 325 CG GLN A 23 5.344 -10.246 3.137 1.00 0.00 C ATOM 326 CD GLN A 23 5.056 -11.258 4.210 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.353 -12.228 3.984 1.00 0.00 O ATOM 328 NE2 GLN A 23 5.580 -11.037 5.381 1.00 0.00 N ATOM 0 H GLN A 23 5.306 -9.471 0.663 1.00 0.00 H new ATOM 0 HA GLN A 23 3.790 -7.357 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.368 -8.595 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.350 -9.496 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.337 -10.744 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.348 -9.848 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.163 -10.214 5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.407 -11.687 6.148 1.00 0.00 H new ATOM 337 N ILE A 24 5.882 -6.055 1.957 1.00 0.00 N ATOM 338 CA ILE A 24 7.063 -5.245 2.083 1.00 0.00 C ATOM 339 C ILE A 24 6.968 -4.519 3.392 1.00 0.00 C ATOM 340 O ILE A 24 5.908 -3.964 3.710 1.00 0.00 O ATOM 341 CB ILE A 24 7.260 -4.215 0.912 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.085 -4.861 -0.472 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.647 -3.596 0.974 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.652 -5.061 -0.895 1.00 0.00 C ATOM 0 H ILE A 24 5.056 -5.561 1.619 1.00 0.00 H new ATOM 0 HA ILE A 24 7.931 -5.903 2.037 1.00 0.00 H new ATOM 0 HB ILE A 24 6.492 -3.453 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.586 -4.239 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.589 -5.828 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.765 -2.886 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.772 -3.078 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.399 -4.380 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.625 -5.522 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.148 -5.709 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.145 -4.097 -0.931 1.00 0.00 H new ATOM 356 N ARG A 25 8.015 -4.568 4.175 1.00 0.00 N ATOM 357 CA ARG A 25 8.002 -3.975 5.469 1.00 0.00 C ATOM 358 C ARG A 25 7.918 -2.479 5.385 1.00 0.00 C ATOM 359 O ARG A 25 8.822 -1.820 4.882 1.00 0.00 O ATOM 360 CB ARG A 25 9.171 -4.459 6.330 1.00 0.00 C ATOM 361 CG ARG A 25 10.584 -4.162 5.851 1.00 0.00 C ATOM 362 CD ARG A 25 11.552 -4.938 6.720 1.00 0.00 C ATOM 363 NE ARG A 25 12.960 -4.746 6.375 1.00 0.00 N ATOM 364 CZ ARG A 25 13.973 -5.191 7.134 1.00 0.00 C ATOM 365 NH1 ARG A 25 13.722 -5.835 8.267 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.226 -4.994 6.752 1.00 0.00 N ATOM 0 H ARG A 25 8.894 -5.021 3.926 1.00 0.00 H new ATOM 0 HA ARG A 25 7.097 -4.308 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.057 -4.023 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.077 -5.539 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.699 -4.448 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.790 -3.093 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.402 -4.647 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.314 -5.999 6.649 1.00 0.00 H new ATOM 0 HE ARG A 25 13.183 -4.248 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.758 -5.992 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.493 -6.173 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.422 -4.503 5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.995 -5.333 7.330 1.00 0.00 H new ATOM 380 N ILE A 26 6.829 -1.941 5.894 1.00 0.00 N ATOM 381 CA ILE A 26 6.554 -0.519 5.823 1.00 0.00 C ATOM 382 C ILE A 26 7.601 0.318 6.519 1.00 0.00 C ATOM 383 O ILE A 26 7.783 1.495 6.203 1.00 0.00 O ATOM 384 CB ILE A 26 5.109 -0.156 6.285 1.00 0.00 C ATOM 385 CG1 ILE A 26 4.743 -0.656 7.712 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.108 -0.676 5.289 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.357 0.114 8.863 1.00 0.00 C ATOM 0 H ILE A 26 6.106 -2.479 6.371 1.00 0.00 H new ATOM 0 HA ILE A 26 6.611 -0.265 4.765 1.00 0.00 H new ATOM 0 HB ILE A 26 5.078 0.932 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.659 -0.627 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.044 -1.700 7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.101 -0.419 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.297 -0.227 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.200 -1.759 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.032 -0.323 9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.444 0.065 8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.037 1.155 8.816 1.00 0.00 H new ATOM 399 N GLN A 27 8.362 -0.327 7.383 1.00 0.00 N ATOM 400 CA GLN A 27 9.369 0.345 8.145 1.00 0.00 C ATOM 401 C GLN A 27 10.561 0.698 7.274 1.00 0.00 C ATOM 402 O GLN A 27 11.384 1.532 7.650 1.00 0.00 O ATOM 403 CB GLN A 27 9.813 -0.485 9.342 1.00 0.00 C ATOM 404 CG GLN A 27 10.423 -1.833 8.992 1.00 0.00 C ATOM 405 CD GLN A 27 11.166 -2.451 10.151 1.00 0.00 C ATOM 406 OE1 GLN A 27 11.741 -1.747 10.977 1.00 0.00 O ATOM 407 NE2 GLN A 27 11.137 -3.747 10.249 1.00 0.00 N ATOM 0 H GLN A 27 8.291 -1.328 7.568 1.00 0.00 H new ATOM 0 HA GLN A 27 8.929 1.268 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.541 0.090 9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.953 -0.649 9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.634 -2.512 8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.105 -1.712 8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.650 -4.301 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.601 -4.210 11.030 1.00 0.00 H new ATOM 416 N GLN A 28 10.663 0.070 6.103 1.00 0.00 N ATOM 417 CA GLN A 28 11.756 0.370 5.208 1.00 0.00 C ATOM 418 C GLN A 28 11.331 1.511 4.293 1.00 0.00 C ATOM 419 O GLN A 28 12.151 2.164 3.657 1.00 0.00 O ATOM 420 CB GLN A 28 12.175 -0.846 4.374 1.00 0.00 C ATOM 421 CG GLN A 28 11.293 -1.132 3.188 1.00 0.00 C ATOM 422 CD GLN A 28 11.892 -2.095 2.198 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.613 -2.006 1.037 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.731 -2.996 2.646 1.00 0.00 N ATOM 0 H GLN A 28 10.009 -0.636 5.765 1.00 0.00 H new ATOM 0 HA GLN A 28 12.622 0.656 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.195 -0.693 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.188 -1.724 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.344 -1.535 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.071 -0.194 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.945 -3.043 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.170 -3.651 1.999 1.00 0.00 H new ATOM 433 N LEU A 29 10.026 1.756 4.258 1.00 0.00 N ATOM 434 CA LEU A 29 9.460 2.818 3.445 1.00 0.00 C ATOM 435 C LEU A 29 9.225 4.031 4.268 1.00 0.00 C ATOM 436 O LEU A 29 8.648 5.001 3.796 1.00 0.00 O ATOM 437 CB LEU A 29 8.138 2.426 2.772 1.00 0.00 C ATOM 438 CG LEU A 29 8.189 1.392 1.664 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.361 1.653 0.736 1.00 0.00 C ATOM 440 CD2 LEU A 29 8.179 -0.007 2.218 1.00 0.00 C ATOM 0 H LEU A 29 9.337 1.225 4.790 1.00 0.00 H new ATOM 0 HA LEU A 29 10.191 3.015 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.465 2.055 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.688 3.331 2.365 1.00 0.00 H new ATOM 0 HG LEU A 29 7.285 1.486 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.377 0.899 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.258 2.642 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.291 1.606 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.216 -0.724 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.046 -0.149 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.268 -0.163 2.795 1.00 0.00 H new ATOM 452 N ASN A 30 9.677 3.972 5.496 1.00 0.00 N ATOM 453 CA ASN A 30 9.513 5.051 6.452 1.00 0.00 C ATOM 454 C ASN A 30 10.096 6.358 5.930 1.00 0.00 C ATOM 455 O ASN A 30 9.527 7.423 6.169 1.00 0.00 O ATOM 456 CB ASN A 30 10.141 4.681 7.800 1.00 0.00 C ATOM 457 CG ASN A 30 9.938 5.751 8.859 1.00 0.00 C ATOM 458 OD1 ASN A 30 10.763 6.654 9.023 1.00 0.00 O ATOM 459 ND2 ASN A 30 8.850 5.664 9.573 1.00 0.00 N ATOM 0 H ASN A 30 10.176 3.165 5.869 1.00 0.00 H new ATOM 0 HA ASN A 30 8.443 5.201 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.710 3.743 8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.209 4.510 7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.658 6.357 10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.191 4.903 9.408 1.00 0.00 H new ATOM 466 N HIS A 31 11.188 6.279 5.163 1.00 0.00 N ATOM 467 CA HIS A 31 11.802 7.491 4.638 1.00 0.00 C ATOM 468 C HIS A 31 10.892 8.068 3.583 1.00 0.00 C ATOM 469 O HIS A 31 10.515 9.230 3.649 1.00 0.00 O ATOM 470 CB HIS A 31 13.164 7.231 3.992 1.00 0.00 C ATOM 471 CG HIS A 31 13.975 8.478 3.803 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.733 9.568 3.032 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.175 8.709 4.415 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.776 10.459 3.170 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.620 9.892 4.012 1.00 0.00 N flip ATOM 0 H HIS A 31 11.652 5.409 4.900 1.00 0.00 H new ATOM 0 HA HIS A 31 11.950 8.172 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.725 6.531 4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.015 6.752 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.674 8.045 5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.881 11.420 2.689 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.500 10.309 4.314 1.00 0.00 H new ATOM 483 N CYS A 32 10.539 7.221 2.634 1.00 0.00 N ATOM 484 CA CYS A 32 9.702 7.566 1.503 1.00 0.00 C ATOM 485 C CYS A 32 8.400 8.178 2.040 1.00 0.00 C ATOM 486 O CYS A 32 8.023 9.283 1.677 1.00 0.00 O ATOM 487 CB CYS A 32 9.431 6.277 0.704 1.00 0.00 C ATOM 488 SG CYS A 32 9.228 6.475 -1.092 1.00 0.00 S ATOM 0 H CYS A 32 10.836 6.245 2.630 1.00 0.00 H new ATOM 0 HA CYS A 32 10.181 8.292 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.254 5.584 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.530 5.810 1.101 1.00 0.00 H new ATOM 493 N GLN A 33 7.788 7.467 2.980 1.00 0.00 N ATOM 494 CA GLN A 33 6.611 7.896 3.686 1.00 0.00 C ATOM 495 C GLN A 33 6.788 9.292 4.318 1.00 0.00 C ATOM 496 O GLN A 33 6.037 10.219 4.015 1.00 0.00 O ATOM 497 CB GLN A 33 6.309 6.886 4.789 1.00 0.00 C ATOM 498 CG GLN A 33 5.350 7.431 5.824 1.00 0.00 C ATOM 499 CD GLN A 33 5.298 6.634 7.098 1.00 0.00 C ATOM 500 OE1 GLN A 33 4.499 5.750 7.254 1.00 0.00 O ATOM 501 NE2 GLN A 33 6.162 6.956 8.026 1.00 0.00 N ATOM 0 H GLN A 33 8.117 6.547 3.273 1.00 0.00 H new ATOM 0 HA GLN A 33 5.791 7.958 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.887 5.984 4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.240 6.596 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.634 8.456 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.350 7.469 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.828 7.711 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.170 6.452 8.912 1.00 0.00 H new ATOM 510 N MET A 34 7.788 9.436 5.187 1.00 0.00 N ATOM 511 CA MET A 34 7.947 10.671 5.942 1.00 0.00 C ATOM 512 C MET A 34 8.291 11.832 5.042 1.00 0.00 C ATOM 513 O MET A 34 7.775 12.918 5.210 1.00 0.00 O ATOM 514 CB MET A 34 8.995 10.554 7.069 1.00 0.00 C ATOM 515 CG MET A 34 10.448 10.490 6.618 1.00 0.00 C ATOM 516 SD MET A 34 11.612 10.481 7.987 1.00 0.00 S ATOM 517 CE MET A 34 13.169 10.523 7.097 1.00 0.00 C ATOM 0 H MET A 34 8.490 8.722 5.382 1.00 0.00 H new ATOM 0 HA MET A 34 6.980 10.858 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.879 11.407 7.737 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.775 9.660 7.652 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.596 9.593 6.017 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.660 11.344 5.974 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.965 10.840 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.394 9.529 6.711 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.095 11.226 6.267 1.00 0.00 H new ATOM 527 N HIS A 35 9.115 11.577 4.064 1.00 0.00 N ATOM 528 CA HIS A 35 9.602 12.619 3.189 1.00 0.00 C ATOM 529 C HIS A 35 8.509 13.090 2.229 1.00 0.00 C ATOM 530 O HIS A 35 8.569 14.208 1.722 1.00 0.00 O ATOM 531 CB HIS A 35 10.816 12.134 2.404 1.00 0.00 C ATOM 532 CG HIS A 35 11.797 13.216 2.069 1.00 0.00 C ATOM 533 ND1 HIS A 35 13.145 13.195 2.123 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 11.451 14.497 1.683 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.636 14.451 1.775 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 12.576 15.196 1.519 1.00 0.00 N flip ATOM 0 H HIS A 35 9.470 10.646 3.847 1.00 0.00 H new ATOM 0 HA HIS A 35 9.898 13.464 3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.325 11.362 2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.475 11.667 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.447 14.867 1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.671 14.754 1.725 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.612 16.175 1.234 1.00 0.00 H new ATOM 544 N LEU A 36 7.542 12.232 1.960 1.00 0.00 N ATOM 545 CA LEU A 36 6.433 12.606 1.108 1.00 0.00 C ATOM 546 C LEU A 36 5.301 13.232 1.900 1.00 0.00 C ATOM 547 O LEU A 36 4.487 13.946 1.359 1.00 0.00 O ATOM 548 CB LEU A 36 5.910 11.423 0.302 1.00 0.00 C ATOM 549 CG LEU A 36 6.887 10.819 -0.713 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.271 9.626 -1.404 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.347 11.850 -1.737 1.00 0.00 C ATOM 0 H LEU A 36 7.503 11.278 2.318 1.00 0.00 H new ATOM 0 HA LEU A 36 6.820 13.350 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.609 10.640 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.013 11.739 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 36 7.766 10.487 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.982 9.213 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.019 8.867 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.367 9.936 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.038 11.383 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.483 12.234 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.849 12.672 -1.226 1.00 0.00 H new ATOM 563 N THR A 37 5.217 12.950 3.167 1.00 0.00 N ATOM 564 CA THR A 37 4.164 13.563 3.937 1.00 0.00 C ATOM 565 C THR A 37 4.610 14.896 4.523 1.00 0.00 C ATOM 566 O THR A 37 3.793 15.759 4.865 1.00 0.00 O ATOM 567 CB THR A 37 3.680 12.626 5.034 1.00 0.00 C ATOM 568 OG1 THR A 37 4.799 12.199 5.830 1.00 0.00 O ATOM 569 CG2 THR A 37 3.036 11.407 4.428 1.00 0.00 C ATOM 0 H THR A 37 5.838 12.323 3.679 1.00 0.00 H new ATOM 0 HA THR A 37 3.331 13.759 3.262 1.00 0.00 H new ATOM 0 HB THR A 37 2.956 13.158 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.265 11.467 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.693 10.744 5.222 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.186 11.710 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.762 10.883 3.806 1.00 0.00 H new ATOM 577 N SER A 38 5.893 15.053 4.629 1.00 0.00 N ATOM 578 CA SER A 38 6.475 16.260 5.135 1.00 0.00 C ATOM 579 C SER A 38 6.736 17.229 3.988 1.00 0.00 C ATOM 580 O SER A 38 6.930 16.806 2.848 1.00 0.00 O ATOM 581 CB SER A 38 7.747 15.930 5.894 1.00 0.00 C ATOM 582 OG SER A 38 7.468 14.976 6.924 1.00 0.00 O ATOM 0 H SER A 38 6.573 14.341 4.364 1.00 0.00 H new ATOM 0 HA SER A 38 5.786 16.745 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.495 15.530 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.166 16.837 6.330 1.00 0.00 H new ATOM 0 HG SER A 38 7.482 14.072 6.545 1.00 0.00 H new ATOM 588 N PHE A 39 6.739 18.500 4.272 1.00 0.00 N ATOM 589 CA PHE A 39 6.987 19.487 3.262 1.00 0.00 C ATOM 590 C PHE A 39 8.034 20.461 3.689 1.00 0.00 C ATOM 591 O PHE A 39 8.605 20.366 4.779 1.00 0.00 O ATOM 592 CB PHE A 39 5.720 20.259 2.893 1.00 0.00 C ATOM 593 CG PHE A 39 4.776 19.519 2.028 1.00 0.00 C ATOM 594 CD1 PHE A 39 5.035 19.393 0.677 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.630 18.965 2.545 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.167 18.728 -0.143 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.759 18.297 1.733 1.00 0.00 C ATOM 598 CZ PHE A 39 3.027 18.178 0.382 1.00 0.00 C ATOM 0 H PHE A 39 6.571 18.879 5.204 1.00 0.00 H new ATOM 0 HA PHE A 39 7.337 18.939 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.204 20.544 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.007 21.182 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.934 19.825 0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.417 19.058 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.378 18.637 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.861 17.862 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.337 17.651 -0.260 1.00 0.00 H new ATOM 865 N HIS A 55 15.259 11.814 -2.021 1.00 0.00 N ATOM 866 CA HIS A 55 14.355 10.810 -1.512 1.00 0.00 C ATOM 867 C HIS A 55 14.125 9.709 -2.524 1.00 0.00 C ATOM 868 O HIS A 55 13.762 8.607 -2.166 1.00 0.00 O ATOM 869 CB HIS A 55 13.036 11.410 -0.961 1.00 0.00 C ATOM 870 CG HIS A 55 12.381 12.468 -1.814 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.832 13.620 -1.305 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.181 12.525 -3.143 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.325 14.321 -2.315 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.506 13.698 -3.454 1.00 0.00 N ATOM 0 HA HIS A 55 14.842 10.351 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.324 10.598 -0.815 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.237 11.837 0.021 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.496 11.777 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.831 15.275 -2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.211 14.011 -4.379 1.00 0.00 H new ATOM 882 N LEU A 56 14.397 9.999 -3.783 1.00 0.00 N ATOM 883 CA LEU A 56 14.322 8.991 -4.811 1.00 0.00 C ATOM 884 C LEU A 56 15.488 8.063 -4.648 1.00 0.00 C ATOM 885 O LEU A 56 15.314 6.867 -4.521 1.00 0.00 O ATOM 886 CB LEU A 56 14.409 9.562 -6.206 1.00 0.00 C ATOM 887 CG LEU A 56 14.570 8.482 -7.265 1.00 0.00 C ATOM 888 CD1 LEU A 56 13.273 7.821 -7.630 1.00 0.00 C ATOM 889 CD2 LEU A 56 15.377 8.935 -8.439 1.00 0.00 C ATOM 0 H LEU A 56 14.671 10.925 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 56 13.359 8.493 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.510 10.141 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.252 10.251 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 56 15.164 7.692 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.453 7.060 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.841 7.355 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.582 8.567 -8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.457 8.122 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.889 9.790 -8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.374 9.224 -8.106 1.00 0.00 H new ATOM 901 N SER A 57 16.682 8.640 -4.625 1.00 0.00 N ATOM 902 CA SER A 57 17.919 7.904 -4.486 1.00 0.00 C ATOM 903 C SER A 57 17.926 7.080 -3.199 1.00 0.00 C ATOM 904 O SER A 57 18.700 6.163 -3.051 1.00 0.00 O ATOM 905 CB SER A 57 19.084 8.886 -4.494 1.00 0.00 C ATOM 906 OG SER A 57 19.070 9.686 -5.676 1.00 0.00 O ATOM 0 H SER A 57 16.814 9.648 -4.704 1.00 0.00 H new ATOM 0 HA SER A 57 18.016 7.211 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.029 9.528 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.025 8.340 -4.431 1.00 0.00 H new ATOM 0 HG SER A 57 19.826 10.310 -5.658 1.00 0.00 H new ATOM 912 N LEU A 58 17.099 7.463 -2.267 1.00 0.00 N ATOM 913 CA LEU A 58 16.943 6.732 -1.033 1.00 0.00 C ATOM 914 C LEU A 58 15.841 5.662 -1.146 1.00 0.00 C ATOM 915 O LEU A 58 16.099 4.481 -0.982 1.00 0.00 O ATOM 916 CB LEU A 58 16.704 7.707 0.118 1.00 0.00 C ATOM 917 CG LEU A 58 17.775 8.801 0.220 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.456 9.798 1.290 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.142 8.206 0.443 1.00 0.00 C ATOM 0 H LEU A 58 16.511 8.293 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 58 17.864 6.189 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.728 8.175 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.672 7.151 1.055 1.00 0.00 H new ATOM 0 HG LEU A 58 17.780 9.330 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.240 10.554 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.501 10.275 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.394 9.291 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.880 9.005 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.142 7.632 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.394 7.550 -0.390 1.00 0.00 H new ATOM 931 N CYS A 59 14.632 6.092 -1.479 1.00 0.00 N ATOM 932 CA CYS A 59 13.454 5.207 -1.554 1.00 0.00 C ATOM 933 C CYS A 59 13.573 4.190 -2.706 1.00 0.00 C ATOM 934 O CYS A 59 13.444 3.000 -2.485 1.00 0.00 O ATOM 935 CB CYS A 59 12.188 6.060 -1.715 1.00 0.00 C ATOM 936 SG CYS A 59 10.601 5.158 -1.840 1.00 0.00 S ATOM 0 H CYS A 59 14.429 7.065 -1.707 1.00 0.00 H new ATOM 0 HA CYS A 59 13.395 4.634 -0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.126 6.741 -0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.302 6.673 -2.609 1.00 0.00 H new ATOM 941 N CYS A 60 13.888 4.673 -3.920 1.00 0.00 N ATOM 942 CA CYS A 60 14.040 3.819 -5.120 1.00 0.00 C ATOM 943 C CYS A 60 15.156 2.849 -4.897 1.00 0.00 C ATOM 944 O CYS A 60 15.090 1.694 -5.291 1.00 0.00 O ATOM 945 CB CYS A 60 14.289 4.684 -6.385 1.00 0.00 C ATOM 946 SG CYS A 60 14.614 3.803 -7.978 1.00 0.00 S ATOM 0 H CYS A 60 14.045 5.664 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 60 13.118 3.262 -5.286 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.420 5.327 -6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.138 5.337 -6.183 1.00 0.00 H new ATOM 951 N ASN A 61 16.149 3.308 -4.196 1.00 0.00 N ATOM 952 CA ASN A 61 17.287 2.463 -3.865 1.00 0.00 C ATOM 953 C ASN A 61 16.928 1.427 -2.818 1.00 0.00 C ATOM 954 O ASN A 61 17.399 0.313 -2.867 1.00 0.00 O ATOM 955 CB ASN A 61 18.453 3.293 -3.399 1.00 0.00 C ATOM 956 CG ASN A 61 19.698 2.471 -3.043 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.527 2.164 -3.901 1.00 0.00 O ATOM 958 ND2 ASN A 61 19.867 2.164 -1.785 1.00 0.00 N ATOM 0 H ASN A 61 16.206 4.261 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 61 17.574 1.935 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.713 4.008 -4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.149 3.871 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.702 1.657 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.164 2.431 -1.096 1.00 0.00 H new ATOM 965 N GLN A 62 16.089 1.796 -1.893 1.00 0.00 N ATOM 966 CA GLN A 62 15.697 0.893 -0.840 1.00 0.00 C ATOM 967 C GLN A 62 14.695 -0.147 -1.342 1.00 0.00 C ATOM 968 O GLN A 62 14.775 -1.322 -0.989 1.00 0.00 O ATOM 969 CB GLN A 62 15.143 1.667 0.369 1.00 0.00 C ATOM 970 CG GLN A 62 14.747 0.769 1.534 1.00 0.00 C ATOM 971 CD GLN A 62 15.902 -0.084 2.041 1.00 0.00 C ATOM 972 OE1 GLN A 62 17.069 0.312 1.999 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.600 -1.266 2.475 1.00 0.00 N ATOM 0 H GLN A 62 15.659 2.720 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 62 16.587 0.355 -0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.894 2.380 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.274 2.245 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.371 1.386 2.350 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.930 0.118 1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.626 -1.567 2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.336 -1.896 2.793 1.00 0.00 H new ATOM 982 N LEU A 63 13.791 0.277 -2.185 1.00 0.00 N ATOM 983 CA LEU A 63 12.766 -0.606 -2.708 1.00 0.00 C ATOM 984 C LEU A 63 13.365 -1.596 -3.697 1.00 0.00 C ATOM 985 O LEU A 63 12.909 -2.715 -3.817 1.00 0.00 O ATOM 986 CB LEU A 63 11.647 0.216 -3.363 1.00 0.00 C ATOM 987 CG LEU A 63 11.981 0.937 -4.665 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.788 0.056 -5.872 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.185 2.176 -4.783 1.00 0.00 C ATOM 0 H LEU A 63 13.739 1.235 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 63 12.338 -1.175 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.805 -0.450 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.309 0.960 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 63 13.039 1.198 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.038 0.614 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.437 -0.816 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.749 -0.269 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.433 2.681 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.123 1.929 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.410 2.834 -3.944 1.00 0.00 H new ATOM 1001 N GLN A 64 14.414 -1.176 -4.396 1.00 0.00 N ATOM 1002 CA GLN A 64 15.042 -2.017 -5.404 1.00 0.00 C ATOM 1003 C GLN A 64 15.849 -3.146 -4.749 1.00 0.00 C ATOM 1004 O GLN A 64 16.426 -4.004 -5.434 1.00 0.00 O ATOM 1005 CB GLN A 64 15.937 -1.191 -6.324 1.00 0.00 C ATOM 1006 CG GLN A 64 17.230 -0.763 -5.684 1.00 0.00 C ATOM 1007 CD GLN A 64 18.179 -0.095 -6.652 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.151 -0.364 -7.855 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.056 0.720 -6.147 1.00 0.00 N ATOM 0 H GLN A 64 14.846 -0.259 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 64 14.250 -2.463 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.160 -1.773 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.391 -0.305 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.013 -0.077 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.719 -1.635 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.050 0.920 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.750 1.160 -6.751 1.00 0.00 H new ATOM 1018 N GLU A 65 15.913 -3.116 -3.429 1.00 0.00 N ATOM 1019 CA GLU A 65 16.561 -4.147 -2.650 1.00 0.00 C ATOM 1020 C GLU A 65 15.563 -5.282 -2.418 1.00 0.00 C ATOM 1021 O GLU A 65 15.923 -6.407 -2.049 1.00 0.00 O ATOM 1022 CB GLU A 65 17.002 -3.575 -1.311 1.00 0.00 C ATOM 1023 CG GLU A 65 17.991 -2.429 -1.424 1.00 0.00 C ATOM 1024 CD GLU A 65 19.343 -2.866 -1.909 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.246 -3.021 -1.070 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.537 -3.082 -3.118 1.00 0.00 O ATOM 0 H GLU A 65 15.511 -2.366 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 65 17.436 -4.521 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.122 -3.230 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.451 -4.371 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.592 -1.678 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.098 -1.951 -0.450 1.00 0.00 H new ATOM 1033 N VAL A 66 14.311 -4.958 -2.612 1.00 0.00 N ATOM 1034 CA VAL A 66 13.208 -5.894 -2.491 1.00 0.00 C ATOM 1035 C VAL A 66 13.063 -6.622 -3.825 1.00 0.00 C ATOM 1036 O VAL A 66 13.673 -6.223 -4.822 1.00 0.00 O ATOM 1037 CB VAL A 66 11.877 -5.149 -2.146 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.778 -6.107 -1.714 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.108 -4.110 -1.082 1.00 0.00 C ATOM 0 H VAL A 66 14.016 -4.015 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 66 13.412 -6.599 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 66 11.543 -4.656 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.873 -5.544 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.572 -6.812 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.099 -6.653 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.169 -3.604 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.486 -4.591 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.837 -3.381 -1.437 1.00 0.00 H new ATOM 1049 N GLU A 67 12.344 -7.714 -3.811 1.00 0.00 N ATOM 1050 CA GLU A 67 12.057 -8.514 -4.975 1.00 0.00 C ATOM 1051 C GLU A 67 11.445 -7.668 -6.063 1.00 0.00 C ATOM 1052 O GLU A 67 10.631 -6.804 -5.782 1.00 0.00 O ATOM 1053 CB GLU A 67 11.113 -9.643 -4.597 1.00 0.00 C ATOM 1054 CG GLU A 67 11.735 -10.681 -3.689 1.00 0.00 C ATOM 1055 CD GLU A 67 12.078 -10.182 -2.294 1.00 0.00 C ATOM 1056 OE1 GLU A 67 13.284 -10.030 -1.977 1.00 0.00 O ATOM 1057 OE2 GLU A 67 11.162 -9.899 -1.504 1.00 0.00 O ATOM 0 H GLU A 67 11.926 -8.085 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 67 12.989 -8.934 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.236 -9.222 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.764 -10.132 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.049 -11.524 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.644 -11.057 -4.159 1.00 0.00 H new ATOM 1064 N LYS A 68 11.815 -7.941 -7.290 1.00 0.00 N ATOM 1065 CA LYS A 68 11.403 -7.125 -8.439 1.00 0.00 C ATOM 1066 C LYS A 68 9.890 -7.014 -8.594 1.00 0.00 C ATOM 1067 O LYS A 68 9.375 -5.962 -8.975 1.00 0.00 O ATOM 1068 CB LYS A 68 12.071 -7.591 -9.731 1.00 0.00 C ATOM 1069 CG LYS A 68 11.796 -9.021 -10.113 1.00 0.00 C ATOM 1070 CD LYS A 68 12.581 -9.426 -11.335 1.00 0.00 C ATOM 1071 CE LYS A 68 14.086 -9.483 -11.065 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.440 -10.399 -9.945 1.00 0.00 N ATOM 0 H LYS A 68 12.410 -8.732 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 68 11.754 -6.115 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.743 -6.944 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.148 -7.458 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.052 -9.677 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.731 -9.149 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.238 -10.402 -11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.385 -8.719 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.600 -9.808 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.447 -8.480 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.463 -10.583 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.179 -9.958 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.925 -11.296 -10.054 1.00 0.00 H new ATOM 1086 N GLN A 69 9.171 -8.062 -8.227 1.00 0.00 N ATOM 1087 CA GLN A 69 7.711 -8.029 -8.326 1.00 0.00 C ATOM 1088 C GLN A 69 7.109 -7.279 -7.140 1.00 0.00 C ATOM 1089 O GLN A 69 5.913 -6.987 -7.114 1.00 0.00 O ATOM 1090 CB GLN A 69 7.108 -9.434 -8.372 1.00 0.00 C ATOM 1091 CG GLN A 69 7.330 -10.251 -7.106 1.00 0.00 C ATOM 1092 CD GLN A 69 6.531 -11.524 -7.105 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.979 -12.552 -7.599 1.00 0.00 O ATOM 1094 NE2 GLN A 69 5.351 -11.471 -6.542 1.00 0.00 N ATOM 0 H GLN A 69 9.559 -8.933 -7.864 1.00 0.00 H new ATOM 0 HA GLN A 69 7.472 -7.515 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.037 -9.351 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.535 -9.973 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.389 -10.489 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.058 -9.652 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.015 -10.595 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.767 -12.306 -6.503 1.00 0.00 H new ATOM 1103 N CYS A 70 7.934 -6.983 -6.180 1.00 0.00 N ATOM 1104 CA CYS A 70 7.512 -6.376 -4.951 1.00 0.00 C ATOM 1105 C CYS A 70 8.043 -4.953 -4.828 1.00 0.00 C ATOM 1106 O CYS A 70 7.633 -4.212 -3.948 1.00 0.00 O ATOM 1107 CB CYS A 70 8.001 -7.230 -3.790 1.00 0.00 C ATOM 1108 SG CYS A 70 7.497 -8.986 -3.897 1.00 0.00 S ATOM 0 H CYS A 70 8.937 -7.160 -6.229 1.00 0.00 H new ATOM 0 HA CYS A 70 6.424 -6.319 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.089 -7.177 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.623 -6.810 -2.858 1.00 0.00 H new ATOM 1113 N GLN A 71 8.938 -4.576 -5.729 1.00 0.00 N ATOM 1114 CA GLN A 71 9.526 -3.236 -5.749 1.00 0.00 C ATOM 1115 C GLN A 71 8.456 -2.182 -5.963 1.00 0.00 C ATOM 1116 O GLN A 71 8.461 -1.142 -5.329 1.00 0.00 O ATOM 1117 CB GLN A 71 10.606 -3.153 -6.827 1.00 0.00 C ATOM 1118 CG GLN A 71 11.847 -3.984 -6.519 1.00 0.00 C ATOM 1119 CD GLN A 71 12.920 -3.934 -7.603 1.00 0.00 C ATOM 1120 OE1 GLN A 71 13.042 -2.819 -8.274 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.669 -4.899 -7.805 1.00 0.00 N flip ATOM 0 H GLN A 71 9.280 -5.188 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 71 9.991 -3.043 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.185 -3.484 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.900 -2.111 -6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.279 -3.637 -5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.547 -5.021 -6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.551 -5.757 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.404 -4.836 -8.510 1.00 0.00 H new ATOM 1130 N CYS A 72 7.518 -2.473 -6.830 1.00 0.00 N ATOM 1131 CA CYS A 72 6.411 -1.566 -7.065 1.00 0.00 C ATOM 1132 C CYS A 72 5.369 -1.687 -5.990 1.00 0.00 C ATOM 1133 O CYS A 72 4.687 -0.731 -5.657 1.00 0.00 O ATOM 1134 CB CYS A 72 5.823 -1.788 -8.434 1.00 0.00 C ATOM 1135 SG CYS A 72 5.652 -3.538 -8.924 1.00 0.00 S ATOM 0 H CYS A 72 7.495 -3.328 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 72 6.794 -0.546 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.840 -1.318 -8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.448 -1.280 -9.168 1.00 0.00 H new ATOM 1140 N GLU A 73 5.301 -2.842 -5.402 1.00 0.00 N ATOM 1141 CA GLU A 73 4.354 -3.096 -4.358 1.00 0.00 C ATOM 1142 C GLU A 73 4.715 -2.315 -3.109 1.00 0.00 C ATOM 1143 O GLU A 73 3.837 -1.838 -2.386 1.00 0.00 O ATOM 1144 CB GLU A 73 4.279 -4.575 -4.076 1.00 0.00 C ATOM 1145 CG GLU A 73 3.824 -5.379 -5.274 1.00 0.00 C ATOM 1146 CD GLU A 73 2.429 -4.992 -5.727 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.264 -3.996 -6.466 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.473 -5.678 -5.349 1.00 0.00 O ATOM 0 H GLU A 73 5.900 -3.635 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 73 3.369 -2.761 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.259 -4.929 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.593 -4.748 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.525 -5.232 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.842 -6.440 -5.026 1.00 0.00 H new ATOM 1155 N ALA A 74 6.021 -2.139 -2.888 1.00 0.00 N ATOM 1156 CA ALA A 74 6.533 -1.380 -1.771 1.00 0.00 C ATOM 1157 C ALA A 74 6.011 0.040 -1.827 1.00 0.00 C ATOM 1158 O ALA A 74 5.744 0.656 -0.801 1.00 0.00 O ATOM 1159 CB ALA A 74 8.053 -1.385 -1.787 1.00 0.00 C ATOM 0 H ALA A 74 6.748 -2.526 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 74 6.194 -1.842 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.428 -0.810 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.414 -2.411 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.409 -0.938 -2.715 1.00 0.00 H new ATOM 1165 N ILE A 75 5.785 0.508 -3.047 1.00 0.00 N ATOM 1166 CA ILE A 75 5.312 1.848 -3.302 1.00 0.00 C ATOM 1167 C ILE A 75 3.901 2.008 -2.780 1.00 0.00 C ATOM 1168 O ILE A 75 3.533 3.051 -2.238 1.00 0.00 O ATOM 1169 CB ILE A 75 5.254 2.154 -4.812 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.564 1.826 -5.523 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.871 3.584 -5.035 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.775 2.460 -4.931 1.00 0.00 C ATOM 0 H ILE A 75 5.929 -0.044 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 75 6.008 2.524 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 75 4.491 1.508 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.700 0.745 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.482 2.135 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.833 3.788 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.891 3.771 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.609 4.236 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.655 2.168 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.668 3.544 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.889 2.132 -3.898 1.00 0.00 H new ATOM 1184 N LYS A 76 3.133 0.945 -2.876 1.00 0.00 N ATOM 1185 CA LYS A 76 1.724 1.013 -2.558 1.00 0.00 C ATOM 1186 C LYS A 76 1.617 1.150 -1.074 1.00 0.00 C ATOM 1187 O LYS A 76 0.877 1.987 -0.541 1.00 0.00 O ATOM 1188 CB LYS A 76 1.020 -0.264 -3.036 1.00 0.00 C ATOM 1189 CG LYS A 76 1.311 -0.617 -4.499 1.00 0.00 C ATOM 1190 CD LYS A 76 0.852 0.463 -5.478 1.00 0.00 C ATOM 1191 CE LYS A 76 -0.660 0.580 -5.536 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.302 -0.655 -6.040 1.00 0.00 N ATOM 0 H LYS A 76 3.460 0.025 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 76 1.247 1.859 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.327 -1.096 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.056 -0.145 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.382 -0.779 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.816 -1.557 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.278 1.422 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.235 0.236 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.043 0.805 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.933 1.417 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.288 -0.452 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.786 -0.999 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.284 -1.383 -5.298 1.00 0.00 H new ATOM 1206 N GLN A 77 2.477 0.406 -0.440 1.00 0.00 N ATOM 1207 CA GLN A 77 2.607 0.331 0.989 1.00 0.00 C ATOM 1208 C GLN A 77 2.998 1.691 1.532 1.00 0.00 C ATOM 1209 O GLN A 77 2.523 2.085 2.598 1.00 0.00 O ATOM 1210 CB GLN A 77 3.684 -0.677 1.304 1.00 0.00 C ATOM 1211 CG GLN A 77 3.429 -2.027 0.624 1.00 0.00 C ATOM 1212 CD GLN A 77 2.441 -2.944 1.348 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.425 -2.905 2.659 1.00 0.00 O flip ATOM 1214 NE2 GLN A 77 1.712 -3.718 0.718 1.00 0.00 N flip ATOM 0 H GLN A 77 3.140 -0.195 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 77 1.664 0.030 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.650 -0.287 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.741 -0.820 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.058 -1.844 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.380 -2.551 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.742 -3.731 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.081 -4.344 1.218 1.00 0.00 H new ATOM 1223 N VAL A 78 3.856 2.418 0.777 1.00 0.00 N ATOM 1224 CA VAL A 78 4.263 3.764 1.167 1.00 0.00 C ATOM 1225 C VAL A 78 3.042 4.642 1.230 1.00 0.00 C ATOM 1226 O VAL A 78 2.805 5.314 2.223 1.00 0.00 O ATOM 1227 CB VAL A 78 5.230 4.477 0.168 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.703 5.805 0.738 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.397 3.629 -0.231 1.00 0.00 C ATOM 0 H VAL A 78 4.269 2.088 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 78 4.781 3.635 2.117 1.00 0.00 H new ATOM 0 HB VAL A 78 4.656 4.659 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.375 6.287 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.843 6.450 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.230 5.631 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.029 4.183 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.975 3.366 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.038 2.720 -0.713 1.00 0.00 H new ATOM 1239 N VAL A 79 2.235 4.572 0.170 1.00 0.00 N ATOM 1240 CA VAL A 79 1.093 5.448 0.024 1.00 0.00 C ATOM 1241 C VAL A 79 0.113 5.149 1.121 1.00 0.00 C ATOM 1242 O VAL A 79 -0.324 6.039 1.824 1.00 0.00 O ATOM 1243 CB VAL A 79 0.393 5.274 -1.354 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.732 6.287 -1.529 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.394 5.383 -2.494 1.00 0.00 C ATOM 0 H VAL A 79 2.360 3.912 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 79 1.445 6.478 0.085 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.043 4.275 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.204 6.142 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.473 6.148 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.325 7.296 -1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.877 5.257 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.871 6.363 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.152 4.607 -2.388 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.132 3.873 1.302 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.054 3.366 2.283 1.00 0.00 C ATOM 1257 C GLU A 80 -0.700 3.827 3.700 1.00 0.00 C ATOM 1258 O GLU A 80 -1.544 4.381 4.401 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.106 1.846 2.182 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.994 1.177 3.198 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.150 -0.286 2.922 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -3.261 -0.701 2.536 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.162 -1.057 3.032 1.00 0.00 O ATOM 0 H GLU A 80 0.319 3.140 0.754 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.044 3.772 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.449 1.573 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.095 1.454 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.575 1.316 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.974 1.654 3.195 1.00 0.00 H new ATOM 1270 N GLN A 81 0.553 3.667 4.098 1.00 0.00 N ATOM 1271 CA GLN A 81 0.936 4.036 5.452 1.00 0.00 C ATOM 1272 C GLN A 81 1.019 5.562 5.614 1.00 0.00 C ATOM 1273 O GLN A 81 0.733 6.108 6.693 1.00 0.00 O ATOM 1274 CB GLN A 81 2.246 3.366 5.880 1.00 0.00 C ATOM 1275 CG GLN A 81 3.470 3.780 5.081 1.00 0.00 C ATOM 1276 CD GLN A 81 4.737 3.171 5.624 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.856 2.906 6.810 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.697 2.959 4.783 1.00 0.00 N ATOM 0 H GLN A 81 1.305 3.294 3.519 1.00 0.00 H new ATOM 0 HA GLN A 81 0.152 3.669 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.424 3.590 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.127 2.285 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.341 3.480 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.558 4.866 5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.572 3.189 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.579 2.561 5.106 1.00 0.00 H new ATOM 1287 N ALA A 82 1.357 6.244 4.546 1.00 0.00 N ATOM 1288 CA ALA A 82 1.493 7.681 4.582 1.00 0.00 C ATOM 1289 C ALA A 82 0.130 8.360 4.614 1.00 0.00 C ATOM 1290 O ALA A 82 -0.083 9.319 5.358 1.00 0.00 O ATOM 1291 CB ALA A 82 2.305 8.167 3.395 1.00 0.00 C ATOM 0 H ALA A 82 1.544 5.824 3.636 1.00 0.00 H new ATOM 0 HA ALA A 82 2.022 7.948 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.398 9.252 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.297 7.716 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.804 7.882 2.470 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.802 7.835 3.855 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.119 8.432 3.777 1.00 0.00 C ATOM 1299 C GLN A 83 -2.886 8.174 5.052 1.00 0.00 C ATOM 1300 O GLN A 83 -3.698 8.990 5.472 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.911 7.931 2.554 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.245 6.452 2.577 1.00 0.00 C ATOM 1303 CD GLN A 83 -3.973 5.989 1.345 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.797 6.530 0.250 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.776 4.984 1.497 1.00 0.00 N ATOM 0 H GLN A 83 -0.677 6.999 3.284 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.986 9.507 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.839 8.498 2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.336 8.146 1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.323 5.880 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.856 6.238 3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.896 4.562 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.288 4.615 0.696 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.604 7.054 5.697 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.297 6.718 6.908 1.00 0.00 C ATOM 1316 C LYS A 84 -2.778 7.549 8.064 1.00 0.00 C ATOM 1317 O LYS A 84 -3.537 7.895 8.960 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.263 5.183 7.191 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.900 4.579 7.546 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.541 4.743 9.014 1.00 0.00 C ATOM 1321 CE LYS A 84 -2.430 3.889 9.913 1.00 0.00 C ATOM 1322 NZ LYS A 84 -2.078 4.014 11.342 1.00 0.00 N ATOM 0 H LYS A 84 -1.905 6.374 5.398 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.351 6.968 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.952 4.972 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.646 4.666 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.902 3.518 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.130 5.050 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.498 4.467 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.638 5.791 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.471 4.181 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.348 2.844 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.700 3.402 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.088 3.727 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.198 5.002 11.644 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.491 7.914 8.018 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.895 8.673 9.104 1.00 0.00 C ATOM 1338 C GLN A 85 -1.328 10.142 9.070 1.00 0.00 C ATOM 1339 O GLN A 85 -1.376 10.817 10.099 1.00 0.00 O ATOM 1340 CB GLN A 85 0.631 8.528 9.148 1.00 0.00 C ATOM 1341 CG GLN A 85 1.393 9.209 8.041 1.00 0.00 C ATOM 1342 CD GLN A 85 2.893 9.239 8.276 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.411 8.292 9.004 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.575 10.136 7.817 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.857 7.696 7.249 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.274 8.245 10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.986 8.921 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.876 7.466 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.190 8.697 7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.028 10.231 7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.143 10.866 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.578 10.158 7.999 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.627 10.637 7.900 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.160 11.986 7.775 1.00 0.00 C ATOM 1355 C LEU A 86 -3.662 12.019 7.978 1.00 0.00 C ATOM 1356 O LEU A 86 -4.194 12.961 8.566 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.748 12.648 6.456 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.417 13.411 6.457 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.518 14.639 7.327 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.718 12.548 6.943 1.00 0.00 C ATOM 0 H LEU A 86 -1.515 10.138 7.018 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.715 12.577 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.697 11.876 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.537 13.340 6.161 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.210 13.704 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.434 15.170 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.302 15.292 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.759 14.343 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.644 13.123 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.512 12.215 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.820 11.680 6.291 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.342 10.978 7.534 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.792 10.881 7.692 1.00 0.00 C ATOM 1374 C GLN A 87 -6.163 10.735 9.173 1.00 0.00 C ATOM 1375 O GLN A 87 -7.198 11.227 9.621 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.328 9.699 6.894 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.839 9.562 6.891 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.547 10.759 6.272 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.004 11.438 5.401 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -9.765 10.995 6.673 1.00 0.00 N ATOM 0 H GLN A 87 -3.917 10.182 7.059 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.245 11.797 7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.984 9.789 5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.896 8.782 7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.115 8.661 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.188 9.431 7.915 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.185 10.413 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.298 11.762 6.262 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.289 10.083 9.926 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.508 9.868 11.364 1.00 0.00 C ATOM 1391 C GLN A 88 -5.198 11.130 12.154 1.00 0.00 C ATOM 1392 O GLN A 88 -5.491 11.215 13.343 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.653 8.708 11.887 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.160 8.986 11.907 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.317 7.756 12.179 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.689 6.636 11.831 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.168 7.955 12.761 1.00 0.00 N ATOM 0 H GLN A 88 -4.417 9.690 9.572 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.559 9.615 11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.977 8.461 12.898 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.838 7.829 11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.866 9.413 10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.949 9.737 12.669 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.892 8.898 13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.545 7.168 12.941 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.592 12.087 11.493 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.260 13.320 12.124 1.00 0.00 C ATOM 1408 C GLY A 89 -5.388 14.308 12.001 1.00 0.00 C ATOM 1409 O GLY A 89 -6.560 13.958 12.183 1.00 0.00 O ATOM 0 H GLY A 89 -4.321 12.024 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.037 13.146 13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.359 13.733 11.672 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.062 15.511 11.650 1.00 0.00 N ATOM 1414 CA GLN A 90 -6.055 16.554 11.534 1.00 0.00 C ATOM 1415 C GLN A 90 -6.376 16.830 10.072 1.00 0.00 C ATOM 1416 O GLN A 90 -7.548 16.859 9.676 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.590 17.836 12.229 1.00 0.00 C ATOM 1418 CG GLN A 90 -5.304 17.688 13.723 1.00 0.00 C ATOM 1419 CD GLN A 90 -6.500 17.188 14.517 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -6.681 15.983 14.716 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -7.334 18.094 14.959 1.00 0.00 N ATOM 0 H GLN A 90 -4.110 15.806 11.435 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.962 16.209 12.030 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.687 18.194 11.734 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.353 18.603 12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.471 16.998 13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.988 18.652 14.123 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.157 19.082 14.778 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.162 17.812 15.484 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.346 17.019 9.277 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.526 17.292 7.868 1.00 0.00 C ATOM 1432 C GLY A 91 -4.293 16.925 7.087 1.00 0.00 C ATOM 1433 O GLY A 91 -3.592 15.981 7.455 1.00 0.00 O ATOM 0 H GLY A 91 -4.373 16.989 9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.381 16.730 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.751 18.349 7.724 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.022 17.645 6.013 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.823 17.415 5.262 1.00 0.00 C ATOM 1439 C GLY A 92 -3.023 16.607 4.023 1.00 0.00 C ATOM 1440 O GLY A 92 -2.346 16.847 3.055 1.00 0.00 O ATOM 0 H GLY A 92 -4.619 18.388 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.388 18.377 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.099 16.908 5.900 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.973 15.687 4.031 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.229 14.785 2.880 1.00 0.00 C ATOM 1446 C GLN A 93 -4.336 15.500 1.533 1.00 0.00 C ATOM 1447 O GLN A 93 -3.895 14.973 0.515 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.465 13.925 3.116 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.239 12.776 4.078 1.00 0.00 C ATOM 1450 CD GLN A 93 -4.270 11.759 3.511 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -3.070 11.845 3.707 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -4.783 10.812 2.785 1.00 0.00 N ATOM 0 H GLN A 93 -4.596 15.531 4.824 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.346 14.148 2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.266 14.556 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.805 13.525 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.853 13.161 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.190 12.291 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.792 10.769 2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.177 10.111 2.359 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.869 16.705 1.537 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.030 17.449 0.299 1.00 0.00 C ATOM 1463 C GLN A 94 -3.696 18.051 -0.159 1.00 0.00 C ATOM 1464 O GLN A 94 -3.399 18.075 -1.350 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.070 18.550 0.452 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.684 19.586 1.475 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.670 20.721 1.584 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.334 21.089 0.611 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.774 21.286 2.747 1.00 0.00 N ATOM 0 H GLN A 94 -5.196 17.188 2.374 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.376 16.748 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.220 19.037 -0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.024 18.105 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.587 19.105 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.704 19.990 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.208 20.954 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.422 22.063 2.881 1.00 0.00 H new ATOM 1478 N GLN A 95 -2.883 18.506 0.789 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.631 19.128 0.438 1.00 0.00 C ATOM 1480 C GLN A 95 -0.586 18.085 0.190 1.00 0.00 C ATOM 1481 O GLN A 95 0.121 18.136 -0.796 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.161 20.157 1.464 1.00 0.00 C ATOM 1483 CG GLN A 95 -0.868 19.644 2.846 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.338 20.739 3.749 1.00 0.00 C ATOM 1485 OE1 GLN A 95 0.324 21.676 3.292 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -0.619 20.653 5.009 1.00 0.00 N ATOM 0 H GLN A 95 -3.073 18.453 1.790 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.799 19.686 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.260 20.634 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.923 20.932 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.776 19.223 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.139 18.836 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.168 19.867 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.292 21.371 5.655 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.547 17.105 1.073 1.00 0.00 N ATOM 1496 CA VAL A 96 0.359 15.965 0.977 1.00 0.00 C ATOM 1497 C VAL A 96 0.142 15.211 -0.325 1.00 0.00 C ATOM 1498 O VAL A 96 1.064 14.581 -0.838 1.00 0.00 O ATOM 1499 CB VAL A 96 0.224 15.013 2.213 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.089 13.775 2.079 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.562 15.758 3.497 1.00 0.00 C ATOM 0 H VAL A 96 -1.153 17.074 1.893 1.00 0.00 H new ATOM 0 HA VAL A 96 1.378 16.352 0.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.814 14.681 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.962 13.145 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.793 13.219 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.135 14.070 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.463 15.082 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.586 16.128 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.121 16.598 3.621 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.063 15.348 -0.894 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.411 14.717 -2.170 1.00 0.00 C ATOM 1513 C GLN A 97 -0.352 14.988 -3.252 1.00 0.00 C ATOM 1514 O GLN A 97 0.072 14.068 -3.937 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.758 15.211 -2.665 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.150 14.654 -4.029 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.419 15.259 -4.584 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -4.671 16.506 -4.272 1.00 0.00 O flip ATOM 1519 NE2 GLN A 97 -5.160 14.603 -5.324 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.819 15.897 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.455 13.643 -1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.524 14.941 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.739 16.300 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.336 14.829 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.276 13.574 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.932 13.634 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.000 15.031 -5.714 1.00 0.00 H new ATOM 1528 N GLN A 98 0.116 16.238 -3.348 1.00 0.00 N ATOM 1529 CA GLN A 98 1.081 16.619 -4.384 1.00 0.00 C ATOM 1530 C GLN A 98 2.428 15.930 -4.184 1.00 0.00 C ATOM 1531 O GLN A 98 3.240 15.855 -5.103 1.00 0.00 O ATOM 1532 CB GLN A 98 1.301 18.135 -4.446 1.00 0.00 C ATOM 1533 CG GLN A 98 1.962 18.708 -3.213 1.00 0.00 C ATOM 1534 CD GLN A 98 2.287 20.189 -3.314 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.583 20.667 -4.500 1.00 0.00 O flip ATOM 1536 NE2 GLN A 98 2.291 20.898 -2.310 1.00 0.00 N flip ATOM 0 H GLN A 98 -0.156 16.998 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 98 0.645 16.291 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.914 18.368 -5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.339 18.626 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.308 18.548 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.882 18.158 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.056 20.497 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.529 21.887 -2.385 1.00 0.00 H new ATOM 1545 N MET A 99 2.665 15.433 -2.997 1.00 0.00 N ATOM 1546 CA MET A 99 3.929 14.831 -2.695 1.00 0.00 C ATOM 1547 C MET A 99 3.794 13.332 -2.749 1.00 0.00 C ATOM 1548 O MET A 99 4.572 12.659 -3.392 1.00 0.00 O ATOM 1549 CB MET A 99 4.371 15.248 -1.323 1.00 0.00 C ATOM 1550 CG MET A 99 5.869 15.267 -1.113 1.00 0.00 C ATOM 1551 SD MET A 99 6.724 16.488 -2.122 1.00 0.00 S ATOM 1552 CE MET A 99 8.393 16.263 -1.513 1.00 0.00 C ATOM 0 H MET A 99 1.996 15.435 -2.227 1.00 0.00 H new ATOM 0 HA MET A 99 4.670 15.156 -3.425 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.978 16.244 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.925 14.572 -0.593 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.077 15.467 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.271 14.279 -1.335 1.00 0.00 H new ATOM 0 HE1 MET A 99 9.076 16.895 -2.081 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.436 16.538 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.684 15.219 -1.627 1.00 0.00 H new ATOM 1562 N VAL A 100 2.783 12.815 -2.097 1.00 0.00 N ATOM 1563 CA VAL A 100 2.549 11.375 -2.071 1.00 0.00 C ATOM 1564 C VAL A 100 2.208 10.829 -3.482 1.00 0.00 C ATOM 1565 O VAL A 100 2.454 9.662 -3.786 1.00 0.00 O ATOM 1566 CB VAL A 100 1.475 10.964 -1.015 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.107 11.515 -1.350 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.430 9.460 -0.831 1.00 0.00 C ATOM 0 H VAL A 100 2.101 13.364 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 100 3.484 10.910 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 100 1.776 11.409 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.607 11.203 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.151 12.604 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.210 11.136 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.672 9.207 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.182 8.985 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.403 9.106 -0.491 1.00 0.00 H new ATOM 1578 N LYS A 101 1.694 11.693 -4.359 1.00 0.00 N ATOM 1579 CA LYS A 101 1.416 11.302 -5.744 1.00 0.00 C ATOM 1580 C LYS A 101 2.718 10.946 -6.476 1.00 0.00 C ATOM 1581 O LYS A 101 2.697 10.215 -7.472 1.00 0.00 O ATOM 1582 CB LYS A 101 0.749 12.418 -6.530 1.00 0.00 C ATOM 1583 CG LYS A 101 1.647 13.617 -6.729 1.00 0.00 C ATOM 1584 CD LYS A 101 1.376 14.289 -8.039 1.00 0.00 C ATOM 1585 CE LYS A 101 2.254 15.511 -8.224 1.00 0.00 C ATOM 1586 NZ LYS A 101 1.944 16.220 -9.475 1.00 0.00 N ATOM 0 H LYS A 101 1.463 12.662 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 101 0.748 10.443 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.441 12.036 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.156 12.731 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.495 14.327 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.690 13.303 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.551 13.586 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.327 14.581 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.119 16.187 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.301 15.209 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.564 17.050 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.097 15.582 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.951 16.530 -9.462 1.00 0.00 H new ATOM 1600 N LYS A 102 3.849 11.485 -5.990 1.00 0.00 N ATOM 1601 CA LYS A 102 5.143 11.228 -6.579 1.00 0.00 C ATOM 1602 C LYS A 102 5.472 9.767 -6.426 1.00 0.00 C ATOM 1603 O LYS A 102 6.088 9.170 -7.302 1.00 0.00 O ATOM 1604 CB LYS A 102 6.204 12.087 -5.912 1.00 0.00 C ATOM 1605 CG LYS A 102 6.029 13.582 -6.150 1.00 0.00 C ATOM 1606 CD LYS A 102 6.776 14.408 -5.108 1.00 0.00 C ATOM 1607 CE LYS A 102 8.267 14.126 -5.071 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.953 14.517 -6.321 1.00 0.00 N ATOM 0 H LYS A 102 3.876 12.106 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 102 5.119 11.482 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.190 11.896 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.185 11.784 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.392 13.837 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.969 13.834 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.619 15.467 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.351 14.208 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.713 14.662 -4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.427 13.063 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.970 14.319 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.560 13.975 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.812 15.533 -6.491 1.00 0.00 H new ATOM 1622 N ALA A 103 4.999 9.185 -5.324 1.00 0.00 N ATOM 1623 CA ALA A 103 5.162 7.766 -5.076 1.00 0.00 C ATOM 1624 C ALA A 103 4.413 6.989 -6.133 1.00 0.00 C ATOM 1625 O ALA A 103 4.895 6.021 -6.643 1.00 0.00 O ATOM 1626 CB ALA A 103 4.665 7.383 -3.690 1.00 0.00 C ATOM 0 H ALA A 103 4.498 9.684 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 103 6.224 7.524 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.802 6.312 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.229 7.932 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.607 7.630 -3.602 1.00 0.00 H new ATOM 1632 N GLN A 104 3.269 7.487 -6.535 1.00 0.00 N ATOM 1633 CA GLN A 104 2.472 6.814 -7.543 1.00 0.00 C ATOM 1634 C GLN A 104 3.176 6.858 -8.913 1.00 0.00 C ATOM 1635 O GLN A 104 2.876 6.075 -9.807 1.00 0.00 O ATOM 1636 CB GLN A 104 1.068 7.410 -7.608 1.00 0.00 C ATOM 1637 CG GLN A 104 0.303 7.292 -6.293 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.079 7.909 -6.350 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.248 9.095 -6.080 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -2.078 7.116 -6.655 1.00 0.00 N ATOM 0 H GLN A 104 2.865 8.355 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 104 2.369 5.766 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.139 8.461 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.504 6.910 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.213 6.239 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.877 7.774 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.902 6.135 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.031 7.480 -6.673 1.00 0.00 H new ATOM 1649 N MET A 105 4.126 7.770 -9.064 1.00 0.00 N ATOM 1650 CA MET A 105 4.922 7.832 -10.285 1.00 0.00 C ATOM 1651 C MET A 105 6.184 6.989 -10.126 1.00 0.00 C ATOM 1652 O MET A 105 6.858 6.681 -11.102 1.00 0.00 O ATOM 1653 CB MET A 105 5.357 9.247 -10.607 1.00 0.00 C ATOM 1654 CG MET A 105 4.270 10.293 -10.492 1.00 0.00 C ATOM 1655 SD MET A 105 4.752 11.888 -11.203 1.00 0.00 S ATOM 1656 CE MET A 105 6.245 12.260 -10.275 1.00 0.00 C ATOM 0 H MET A 105 4.364 8.472 -8.364 1.00 0.00 H new ATOM 0 HA MET A 105 4.292 7.457 -11.092 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.175 9.520 -9.940 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.753 9.267 -11.622 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.372 9.933 -10.994 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.015 10.431 -9.441 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.207 13.291 -9.923 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.319 11.587 -9.421 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.115 12.128 -10.918 1.00 0.00 H new ATOM 1666 N LEU A 106 6.499 6.621 -8.883 1.00 0.00 N ATOM 1667 CA LEU A 106 7.712 5.854 -8.543 1.00 0.00 C ATOM 1668 C LEU A 106 7.872 4.571 -9.364 1.00 0.00 C ATOM 1669 O LEU A 106 8.965 4.310 -9.832 1.00 0.00 O ATOM 1670 CB LEU A 106 7.823 5.551 -7.033 1.00 0.00 C ATOM 1671 CG LEU A 106 8.979 6.222 -6.259 1.00 0.00 C ATOM 1672 CD1 LEU A 106 10.323 5.705 -6.740 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.926 7.740 -6.378 1.00 0.00 C ATOM 0 H LEU A 106 5.920 6.845 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 106 8.538 6.511 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.886 5.844 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.917 4.472 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 106 8.859 5.962 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.122 6.192 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.375 4.628 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.438 5.924 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.754 8.178 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.003 8.026 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.983 8.104 -5.971 1.00 0.00 H new ATOM 1685 N PRO A 107 6.809 3.737 -9.580 1.00 0.00 N ATOM 1686 CA PRO A 107 6.946 2.554 -10.414 1.00 0.00 C ATOM 1687 C PRO A 107 7.355 2.882 -11.843 1.00 0.00 C ATOM 1688 O PRO A 107 7.971 2.068 -12.504 1.00 0.00 O ATOM 1689 CB PRO A 107 5.576 1.871 -10.354 1.00 0.00 C ATOM 1690 CG PRO A 107 4.641 2.920 -9.874 1.00 0.00 C ATOM 1691 CD PRO A 107 5.449 3.812 -8.987 1.00 0.00 C ATOM 0 HA PRO A 107 7.745 1.907 -10.052 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.279 1.497 -11.334 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.591 1.017 -9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.218 3.478 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.806 2.480 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.066 4.832 -8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.441 3.467 -7.953 1.00 0.00 H new ATOM 1699 N ASN A 108 7.076 4.078 -12.296 1.00 0.00 N ATOM 1700 CA ASN A 108 7.450 4.454 -13.600 1.00 0.00 C ATOM 1701 C ASN A 108 8.850 5.058 -13.591 1.00 0.00 C ATOM 1702 O ASN A 108 9.643 4.804 -14.474 1.00 0.00 O ATOM 1703 CB ASN A 108 6.436 5.430 -14.170 1.00 0.00 C ATOM 1704 CG ASN A 108 5.057 4.816 -14.417 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.921 3.618 -14.648 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.037 5.631 -14.394 1.00 0.00 N ATOM 0 H ASN A 108 6.588 4.798 -11.764 1.00 0.00 H new ATOM 0 HA ASN A 108 7.468 3.570 -14.238 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.331 6.271 -13.485 1.00 0.00 H new ATOM 0 HB3 ASN A 108 6.819 5.829 -15.109 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.097 5.277 -14.571 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.180 6.622 -14.199 1.00 0.00 H new ATOM 1713 N GLN A 109 9.160 5.821 -12.549 1.00 0.00 N ATOM 1714 CA GLN A 109 10.461 6.506 -12.435 1.00 0.00 C ATOM 1715 C GLN A 109 11.585 5.557 -12.024 1.00 0.00 C ATOM 1716 O GLN A 109 12.727 5.729 -12.424 1.00 0.00 O ATOM 1717 CB GLN A 109 10.397 7.635 -11.410 1.00 0.00 C ATOM 1718 CG GLN A 109 9.392 8.727 -11.706 1.00 0.00 C ATOM 1719 CD GLN A 109 9.430 9.803 -10.647 1.00 0.00 C ATOM 1720 OE1 GLN A 109 10.167 10.776 -10.761 1.00 0.00 O ATOM 1721 NE2 GLN A 109 8.664 9.626 -9.598 1.00 0.00 N ATOM 0 H GLN A 109 8.531 5.987 -11.763 1.00 0.00 H new ATOM 0 HA GLN A 109 10.677 6.903 -13.427 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.164 7.205 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.386 8.087 -11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.603 9.165 -12.682 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.391 8.299 -11.759 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.063 8.804 -9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.669 10.311 -8.842 1.00 0.00 H new ATOM 1730 N CYS A 110 11.260 4.585 -11.207 1.00 0.00 N ATOM 1731 CA CYS A 110 12.251 3.660 -10.674 1.00 0.00 C ATOM 1732 C CYS A 110 12.354 2.439 -11.582 1.00 0.00 C ATOM 1733 O CYS A 110 13.172 1.552 -11.347 1.00 0.00 O ATOM 1734 CB CYS A 110 11.845 3.257 -9.241 1.00 0.00 C ATOM 1735 SG CYS A 110 13.127 2.430 -8.209 1.00 0.00 S ATOM 0 H CYS A 110 10.307 4.407 -10.889 1.00 0.00 H new ATOM 0 HA CYS A 110 13.230 4.137 -10.638 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.516 4.155 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 110 10.983 2.593 -9.307 1.00 0.00 H new ATOM 1740 N ASN A 111 11.504 2.418 -12.625 1.00 0.00 N ATOM 1741 CA ASN A 111 11.477 1.343 -13.635 1.00 0.00 C ATOM 1742 C ASN A 111 11.024 0.041 -12.987 1.00 0.00 C ATOM 1743 O ASN A 111 11.727 -0.968 -12.973 1.00 0.00 O ATOM 1744 CB ASN A 111 12.851 1.188 -14.344 1.00 0.00 C ATOM 1745 CG ASN A 111 12.877 0.191 -15.510 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.798 0.077 -16.250 1.00 0.00 O flip ATOM 1747 ND2 ASN A 111 13.905 -0.443 -15.764 1.00 0.00 N flip ATOM 0 H ASN A 111 10.813 3.150 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 111 10.759 1.611 -14.410 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.162 2.164 -14.715 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.590 0.878 -13.605 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.729 -0.336 -15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.930 -1.074 -16.565 1.00 0.00 H new ATOM 1754 N LEU A 112 9.869 0.107 -12.384 1.00 0.00 N ATOM 1755 CA LEU A 112 9.297 -1.031 -11.703 1.00 0.00 C ATOM 1756 C LEU A 112 8.222 -1.674 -12.570 1.00 0.00 C ATOM 1757 O LEU A 112 7.619 -1.008 -13.415 1.00 0.00 O ATOM 1758 CB LEU A 112 8.735 -0.591 -10.350 1.00 0.00 C ATOM 1759 CG LEU A 112 9.706 0.246 -9.501 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.113 0.641 -8.154 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.024 -0.479 -9.323 1.00 0.00 C ATOM 0 H LEU A 112 9.295 0.949 -12.349 1.00 0.00 H new ATOM 0 HA LEU A 112 10.071 -1.778 -11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.827 -0.012 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.448 -1.477 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 112 9.889 1.172 -10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.840 1.230 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.211 1.233 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.863 -0.257 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.696 0.131 -8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.851 -1.432 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.475 -0.659 -10.299 1.00 0.00 H new ATOM 1773 N GLN A 113 7.947 -2.945 -12.319 1.00 0.00 N ATOM 1774 CA GLN A 113 7.032 -3.774 -13.147 1.00 0.00 C ATOM 1775 C GLN A 113 5.555 -3.501 -12.860 1.00 0.00 C ATOM 1776 O GLN A 113 4.708 -4.406 -12.909 1.00 0.00 O ATOM 1777 CB GLN A 113 7.352 -5.240 -12.908 1.00 0.00 C ATOM 1778 CG GLN A 113 8.806 -5.554 -13.142 1.00 0.00 C ATOM 1779 CD GLN A 113 9.154 -7.020 -12.971 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.543 -7.744 -12.175 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.120 -7.477 -13.727 1.00 0.00 N ATOM 0 H GLN A 113 8.348 -3.452 -11.530 1.00 0.00 H new ATOM 0 HA GLN A 113 7.194 -3.509 -14.192 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.086 -5.505 -11.885 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.739 -5.855 -13.567 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.077 -5.242 -14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.410 -4.965 -12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.602 -6.851 -14.372 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.391 -8.459 -13.671 1.00 0.00 H new ATOM 1790 N CYS A 114 5.247 -2.271 -12.670 1.00 0.00 N ATOM 1791 CA CYS A 114 3.941 -1.836 -12.283 1.00 0.00 C ATOM 1792 C CYS A 114 3.769 -0.395 -12.753 1.00 0.00 C ATOM 1793 O CYS A 114 4.770 0.290 -12.994 1.00 0.00 O ATOM 1794 CB CYS A 114 3.872 -1.890 -10.769 1.00 0.00 C ATOM 1795 SG CYS A 114 3.920 -3.556 -9.989 1.00 0.00 S ATOM 0 H CYS A 114 5.914 -1.508 -12.781 1.00 0.00 H new ATOM 0 HA CYS A 114 3.161 -2.461 -12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.702 -1.306 -10.371 1.00 0.00 H new ATOM 0 HB3 CYS A 114 2.953 -1.395 -10.454 1.00 0.00 H new ATOM 1800 N SER A 115 2.548 0.060 -12.898 1.00 0.00 N ATOM 1801 CA SER A 115 2.278 1.416 -13.304 1.00 0.00 C ATOM 1802 C SER A 115 0.992 1.902 -12.642 1.00 0.00 C ATOM 1803 O SER A 115 0.054 1.124 -12.465 1.00 0.00 O ATOM 1804 CB SER A 115 2.192 1.494 -14.840 1.00 0.00 C ATOM 1805 OG SER A 115 1.297 0.512 -15.364 1.00 0.00 O ATOM 0 H SER A 115 1.712 -0.502 -12.737 1.00 0.00 H new ATOM 0 HA SER A 115 3.090 2.069 -12.983 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.858 2.488 -15.137 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.184 1.350 -15.269 1.00 0.00 H new ATOM 0 HG SER A 115 1.263 0.588 -16.340 1.00 0.00 H new ATOM 1811 N ILE A 116 0.961 3.146 -12.224 1.00 0.00 N ATOM 1812 CA ILE A 116 -0.215 3.689 -11.584 1.00 0.00 C ATOM 1813 C ILE A 116 -0.902 4.637 -12.547 1.00 0.00 C ATOM 1814 O ILE A 116 -1.899 4.245 -13.171 1.00 0.00 O ATOM 1815 CB ILE A 116 0.131 4.432 -10.267 1.00 0.00 C ATOM 1816 CG1 ILE A 116 0.941 3.525 -9.318 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -1.137 4.940 -9.580 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.236 2.259 -8.876 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.394 5.762 -12.749 1.00 0.00 O ATOM 0 H ILE A 116 1.737 3.802 -12.316 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.877 2.863 -11.324 1.00 0.00 H new ATOM 0 HB ILE A 116 0.749 5.293 -10.520 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.872 3.249 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.209 4.101 -8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.869 5.458 -8.659 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.660 5.628 -10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.787 4.097 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.889 1.692 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.681 2.519 -8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.007 1.654 -9.750 1.00 0.00 H new