USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=16 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 144:sc= -0.0961 (180deg=-0.434) USER MOD Set 1.2: A 109 GLN : amide:sc= -0.795 K(o=-0.89,f=-3.1!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.325 X(o=-7.3,f=-7) USER MOD Set 2.2: A 35 HIS : no HE2:sc= -6.99! C(o=-7.3!,f=-8.3!) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.116 K(o=2.2,f=-1.2) USER MOD Set 3.2: A 33 GLN : amide:sc= 0.143 K(o=2.2,f=-6.5!) USER MOD Set 3.3: A 37 THR OG1 : rot -174:sc= 0.707 USER MOD Set 3.4: A 81 GLN : amide:sc= 1.7 K(o=2.2,f=-2.4) USER MOD Set 3.5: A 85 GLN : amide:sc= -0.491 X(o=2.2,f=2.1) USER MOD Single : A 4 THR OG1 : rot 150:sc= 0.969 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 1.1 K(o=1.1,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= 0.35 K(o=0.35,f=-6.8!) USER MOD Single : A 28 GLN : amide:sc= -0.784 K(o=-0.78,f=-4.2!) USER MOD Single : A 34 MET CE :methyl -144:sc= -0.11 (180deg=-0.517) USER MOD Single : A 38 SER OG : rot -89:sc= 1.24 USER MOD Single : A 55 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.14) USER MOD Single : A 64 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 71 GLN :FLIP amide:sc= -4.63! C(o=-5.5!,f=-4.6!) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.652) USER MOD Single : A 77 GLN : amide:sc= -1.62 K(o=-1.6,f=-6!) USER MOD Single : A 83 GLN : amide:sc=-0.00948 K(o=-0.0095,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0131 F(o=-0.99,f=-0.013) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.323 F(o=-0.95,f=-0.32) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 95 GLN : amide:sc= 0.0676 X(o=0.068,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 98 GLN : amide:sc= 0.118 X(o=0.12,f=-0.32) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -165:sc= 1.19 (180deg=1.02) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 111 ASN : amide:sc= 0.00216 X(o=0.0022,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.3) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 7.433 -15.173 6.354 1.00 0.00 N ATOM 35 CA CYS A 3 8.766 -14.743 6.047 1.00 0.00 C ATOM 36 C CYS A 3 9.744 -15.528 6.876 1.00 0.00 C ATOM 37 O CYS A 3 9.420 -15.958 7.993 1.00 0.00 O ATOM 38 CB CYS A 3 8.960 -13.254 6.333 1.00 0.00 C ATOM 39 SG CYS A 3 7.849 -12.114 5.433 1.00 0.00 S ATOM 0 HA CYS A 3 8.936 -14.913 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.828 -13.089 7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.990 -12.990 6.094 1.00 0.00 H new ATOM 44 N THR A 4 10.910 -15.743 6.334 1.00 0.00 N ATOM 45 CA THR A 4 11.955 -16.409 7.042 1.00 0.00 C ATOM 46 C THR A 4 12.553 -15.438 8.059 1.00 0.00 C ATOM 47 O THR A 4 12.661 -14.222 7.786 1.00 0.00 O ATOM 48 CB THR A 4 13.063 -16.911 6.070 1.00 0.00 C ATOM 49 OG1 THR A 4 13.648 -15.806 5.351 1.00 0.00 O ATOM 50 CG2 THR A 4 12.493 -17.897 5.061 1.00 0.00 C ATOM 0 H THR A 4 11.158 -15.459 5.386 1.00 0.00 H new ATOM 0 HA THR A 4 11.541 -17.280 7.550 1.00 0.00 H new ATOM 0 HB THR A 4 13.826 -17.405 6.672 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.583 -16.011 5.140 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.286 -18.233 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.074 -18.755 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.710 -17.410 4.479 1.00 0.00 H new ATOM 58 N LYS A 5 12.911 -15.927 9.221 1.00 0.00 N ATOM 59 CA LYS A 5 13.508 -15.076 10.216 1.00 0.00 C ATOM 60 C LYS A 5 15.010 -14.980 9.985 1.00 0.00 C ATOM 61 O LYS A 5 15.823 -15.563 10.718 1.00 0.00 O ATOM 62 CB LYS A 5 13.152 -15.478 11.679 1.00 0.00 C ATOM 63 CG LYS A 5 11.669 -15.286 12.077 1.00 0.00 C ATOM 64 CD LYS A 5 10.730 -16.290 11.402 1.00 0.00 C ATOM 65 CE LYS A 5 9.252 -15.986 11.681 1.00 0.00 C ATOM 66 NZ LYS A 5 8.926 -15.975 13.133 1.00 0.00 N ATOM 0 H LYS A 5 12.800 -16.902 9.498 1.00 0.00 H new ATOM 0 HA LYS A 5 13.075 -14.083 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.417 -16.525 11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.772 -14.894 12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.574 -15.380 13.159 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.357 -14.275 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.904 -16.279 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.964 -17.295 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.998 -15.018 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.633 -16.730 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.904 -15.832 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.203 -16.883 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.443 -15.202 13.599 1.00 0.00 H new ATOM 80 N SER A 6 15.350 -14.323 8.901 1.00 0.00 N ATOM 81 CA SER A 6 16.693 -14.108 8.491 1.00 0.00 C ATOM 82 C SER A 6 16.691 -12.801 7.732 1.00 0.00 C ATOM 83 O SER A 6 15.617 -12.247 7.477 1.00 0.00 O ATOM 84 CB SER A 6 17.146 -15.262 7.589 1.00 0.00 C ATOM 85 OG SER A 6 18.542 -15.211 7.317 1.00 0.00 O ATOM 0 H SER A 6 14.664 -13.914 8.266 1.00 0.00 H new ATOM 0 HA SER A 6 17.380 -14.067 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.904 -16.212 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.592 -15.227 6.651 1.00 0.00 H new ATOM 0 HG SER A 6 18.791 -15.964 6.741 1.00 0.00 H new ATOM 91 N ILE A 7 17.841 -12.294 7.406 1.00 0.00 N ATOM 92 CA ILE A 7 17.943 -11.046 6.694 1.00 0.00 C ATOM 93 C ILE A 7 18.818 -11.257 5.466 1.00 0.00 C ATOM 94 O ILE A 7 19.930 -11.772 5.590 1.00 0.00 O ATOM 95 CB ILE A 7 18.521 -9.876 7.584 1.00 0.00 C ATOM 96 CG1 ILE A 7 17.618 -9.570 8.807 1.00 0.00 C ATOM 97 CG2 ILE A 7 18.732 -8.605 6.769 1.00 0.00 C ATOM 98 CD1 ILE A 7 17.779 -10.505 9.995 1.00 0.00 C ATOM 0 H ILE A 7 18.737 -12.729 7.623 1.00 0.00 H new ATOM 0 HA ILE A 7 16.938 -10.741 6.404 1.00 0.00 H new ATOM 0 HB ILE A 7 19.487 -10.222 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.820 -8.552 9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.577 -9.599 8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.130 -7.821 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.436 -8.803 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.780 -8.280 6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.101 -10.200 10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 7 17.545 -11.525 9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 7 18.807 -10.461 10.356 1.00 0.00 H new ATOM 110 N PRO A 8 18.329 -10.921 4.259 1.00 0.00 N ATOM 111 CA PRO A 8 16.971 -10.379 4.046 1.00 0.00 C ATOM 112 C PRO A 8 15.887 -11.453 4.232 1.00 0.00 C ATOM 113 O PRO A 8 16.103 -12.630 3.895 1.00 0.00 O ATOM 114 CB PRO A 8 17.005 -9.914 2.591 1.00 0.00 C ATOM 115 CG PRO A 8 18.045 -10.756 1.945 1.00 0.00 C ATOM 116 CD PRO A 8 19.079 -11.025 2.999 1.00 0.00 C ATOM 0 HA PRO A 8 16.726 -9.591 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.035 -10.046 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.254 -8.855 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.617 -11.687 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.485 -10.243 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 19.525 -12.012 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.892 -10.300 2.956 1.00 0.00 H new ATOM 124 N PRO A 9 14.733 -11.083 4.802 1.00 0.00 N ATOM 125 CA PRO A 9 13.644 -12.020 5.021 1.00 0.00 C ATOM 126 C PRO A 9 13.050 -12.494 3.711 1.00 0.00 C ATOM 127 O PRO A 9 12.740 -11.686 2.804 1.00 0.00 O ATOM 128 CB PRO A 9 12.612 -11.221 5.818 1.00 0.00 C ATOM 129 CG PRO A 9 12.916 -9.800 5.516 1.00 0.00 C ATOM 130 CD PRO A 9 14.400 -9.729 5.288 1.00 0.00 C ATOM 0 HA PRO A 9 13.978 -12.918 5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.596 -11.480 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.693 -11.424 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.370 -9.464 4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.617 -9.154 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.659 -8.964 4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.937 -9.487 6.205 1.00 0.00 H new ATOM 138 N ILE A 10 12.928 -13.771 3.584 1.00 0.00 N ATOM 139 CA ILE A 10 12.362 -14.348 2.416 1.00 0.00 C ATOM 140 C ILE A 10 10.893 -14.512 2.689 1.00 0.00 C ATOM 141 O ILE A 10 10.506 -15.283 3.560 1.00 0.00 O ATOM 142 CB ILE A 10 13.001 -15.718 2.092 1.00 0.00 C ATOM 143 CG1 ILE A 10 14.541 -15.611 2.054 1.00 0.00 C ATOM 144 CG2 ILE A 10 12.464 -16.266 0.774 1.00 0.00 C ATOM 145 CD1 ILE A 10 15.095 -14.670 0.997 1.00 0.00 C ATOM 0 H ILE A 10 13.220 -14.446 4.291 1.00 0.00 H new ATOM 0 HA ILE A 10 12.542 -13.708 1.552 1.00 0.00 H new ATOM 0 HB ILE A 10 12.730 -16.414 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.891 -15.281 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.955 -16.605 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.927 -17.231 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.383 -16.390 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.697 -15.570 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.184 -14.664 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.782 -15.008 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.717 -13.663 1.173 1.00 0.00 H new ATOM 157 N CYS A 11 10.099 -13.759 2.006 1.00 0.00 N ATOM 158 CA CYS A 11 8.694 -13.753 2.246 1.00 0.00 C ATOM 159 C CYS A 11 7.951 -14.462 1.152 1.00 0.00 C ATOM 160 O CYS A 11 8.269 -14.329 -0.034 1.00 0.00 O ATOM 161 CB CYS A 11 8.186 -12.329 2.426 1.00 0.00 C ATOM 162 SG CYS A 11 8.934 -11.453 3.846 1.00 0.00 S ATOM 0 H CYS A 11 10.405 -13.129 1.264 1.00 0.00 H new ATOM 0 HA CYS A 11 8.508 -14.298 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.386 -11.764 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.104 -12.353 2.555 1.00 0.00 H new ATOM 310 N CYS A 22 2.610 -9.288 -2.133 1.00 0.00 N ATOM 311 CA CYS A 22 3.893 -9.008 -1.622 1.00 0.00 C ATOM 312 C CYS A 22 3.740 -8.235 -0.338 1.00 0.00 C ATOM 313 O CYS A 22 2.967 -7.261 -0.275 1.00 0.00 O ATOM 314 CB CYS A 22 4.694 -8.172 -2.606 1.00 0.00 C ATOM 315 SG CYS A 22 5.314 -9.055 -4.066 1.00 0.00 S ATOM 0 HA CYS A 22 4.420 -9.947 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.071 -7.344 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.543 -7.738 -2.079 1.00 0.00 H new ATOM 320 N GLN A 23 4.367 -8.695 0.688 1.00 0.00 N ATOM 321 CA GLN A 23 4.412 -7.967 1.902 1.00 0.00 C ATOM 322 C GLN A 23 5.803 -7.405 2.086 1.00 0.00 C ATOM 323 O GLN A 23 6.805 -8.137 2.133 1.00 0.00 O ATOM 324 CB GLN A 23 3.941 -8.793 3.085 1.00 0.00 C ATOM 325 CG GLN A 23 4.763 -10.022 3.381 1.00 0.00 C ATOM 326 CD GLN A 23 4.147 -10.846 4.466 1.00 0.00 C ATOM 327 OE1 GLN A 23 2.936 -10.884 4.620 1.00 0.00 O ATOM 328 NE2 GLN A 23 4.950 -11.504 5.230 1.00 0.00 N ATOM 0 H GLN A 23 4.862 -9.587 0.707 1.00 0.00 H new ATOM 0 HA GLN A 23 3.711 -7.134 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.935 -8.158 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.911 -9.100 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.859 -10.623 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.770 -9.725 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.957 -11.452 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.578 -12.076 5.988 1.00 0.00 H new ATOM 337 N ILE A 24 5.877 -6.132 2.105 1.00 0.00 N ATOM 338 CA ILE A 24 7.110 -5.442 2.227 1.00 0.00 C ATOM 339 C ILE A 24 7.075 -4.783 3.598 1.00 0.00 C ATOM 340 O ILE A 24 6.007 -4.400 4.055 1.00 0.00 O ATOM 341 CB ILE A 24 7.281 -4.368 1.070 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.037 -4.957 -0.346 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.663 -3.764 1.074 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.597 -5.168 -0.746 1.00 0.00 C ATOM 0 H ILE A 24 5.064 -5.520 2.035 1.00 0.00 H new ATOM 0 HA ILE A 24 7.961 -6.117 2.133 1.00 0.00 H new ATOM 0 HB ILE A 24 6.527 -3.609 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.501 -4.294 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.554 -5.915 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.743 -3.034 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.842 -3.272 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.404 -4.550 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.556 -5.583 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.123 -5.860 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.070 -4.214 -0.725 1.00 0.00 H new ATOM 356 N ARG A 25 8.181 -4.719 4.283 1.00 0.00 N ATOM 357 CA ARG A 25 8.198 -4.138 5.603 1.00 0.00 C ATOM 358 C ARG A 25 7.979 -2.634 5.523 1.00 0.00 C ATOM 359 O ARG A 25 8.795 -1.909 4.961 1.00 0.00 O ATOM 360 CB ARG A 25 9.485 -4.515 6.357 1.00 0.00 C ATOM 361 CG ARG A 25 10.789 -4.092 5.704 1.00 0.00 C ATOM 362 CD ARG A 25 11.968 -4.658 6.461 1.00 0.00 C ATOM 363 NE ARG A 25 13.240 -4.361 5.800 1.00 0.00 N ATOM 364 CZ ARG A 25 14.274 -3.697 6.341 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.229 -3.264 7.600 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.371 -3.516 5.623 1.00 0.00 N ATOM 0 H ARG A 25 9.084 -5.060 3.953 1.00 0.00 H new ATOM 0 HA ARG A 25 7.372 -4.551 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.441 -4.074 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.502 -5.597 6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.814 -4.437 4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.854 -3.004 5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.980 -4.248 7.471 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.853 -5.738 6.556 1.00 0.00 H new ATOM 0 HE ARG A 25 13.351 -4.689 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.400 -3.435 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.024 -2.761 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.423 -3.879 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.164 -3.013 6.021 1.00 0.00 H new ATOM 380 N ILE A 26 6.880 -2.167 6.093 1.00 0.00 N ATOM 381 CA ILE A 26 6.483 -0.753 6.009 1.00 0.00 C ATOM 382 C ILE A 26 7.487 0.174 6.688 1.00 0.00 C ATOM 383 O ILE A 26 7.511 1.387 6.445 1.00 0.00 O ATOM 384 CB ILE A 26 5.012 -0.504 6.518 1.00 0.00 C ATOM 385 CG1 ILE A 26 4.788 -0.847 8.015 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.031 -1.277 5.669 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.251 0.213 9.000 1.00 0.00 C ATOM 0 H ILE A 26 6.234 -2.748 6.627 1.00 0.00 H new ATOM 0 HA ILE A 26 6.490 -0.501 4.948 1.00 0.00 H new ATOM 0 HB ILE A 26 4.844 0.569 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.725 -1.028 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.307 -1.779 8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.018 -1.098 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.111 -0.950 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.255 -2.342 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.050 -0.123 10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.321 0.380 8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.715 1.143 8.812 1.00 0.00 H new ATOM 399 N GLN A 27 8.357 -0.415 7.485 1.00 0.00 N ATOM 400 CA GLN A 27 9.348 0.335 8.208 1.00 0.00 C ATOM 401 C GLN A 27 10.428 0.811 7.252 1.00 0.00 C ATOM 402 O GLN A 27 11.091 1.811 7.499 1.00 0.00 O ATOM 403 CB GLN A 27 9.958 -0.508 9.329 1.00 0.00 C ATOM 404 CG GLN A 27 10.718 -1.728 8.831 1.00 0.00 C ATOM 405 CD GLN A 27 11.398 -2.523 9.921 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.426 -3.141 9.678 1.00 0.00 O ATOM 407 NE2 GLN A 27 10.846 -2.532 11.109 1.00 0.00 N ATOM 0 H GLN A 27 8.392 -1.422 7.645 1.00 0.00 H new ATOM 0 HA GLN A 27 8.868 1.201 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.633 0.116 9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.163 -0.835 10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.026 -2.381 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.469 -1.405 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.989 -2.005 11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.274 -3.066 11.866 1.00 0.00 H new ATOM 416 N GLN A 28 10.566 0.120 6.117 1.00 0.00 N ATOM 417 CA GLN A 28 11.578 0.487 5.169 1.00 0.00 C ATOM 418 C GLN A 28 11.054 1.606 4.289 1.00 0.00 C ATOM 419 O GLN A 28 11.816 2.315 3.660 1.00 0.00 O ATOM 420 CB GLN A 28 12.031 -0.693 4.304 1.00 0.00 C ATOM 421 CG GLN A 28 11.113 -1.025 3.151 1.00 0.00 C ATOM 422 CD GLN A 28 11.716 -1.992 2.178 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.423 -1.946 1.008 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.556 -2.870 2.650 1.00 0.00 N ATOM 0 H GLN A 28 9.992 -0.680 5.850 1.00 0.00 H new ATOM 0 HA GLN A 28 12.452 0.821 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.023 -0.475 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.127 -1.574 4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.185 -1.443 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.852 -0.106 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.779 -2.878 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.990 -3.549 2.024 1.00 0.00 H new ATOM 433 N LEU A 29 9.735 1.761 4.273 1.00 0.00 N ATOM 434 CA LEU A 29 9.101 2.795 3.470 1.00 0.00 C ATOM 435 C LEU A 29 8.850 4.019 4.264 1.00 0.00 C ATOM 436 O LEU A 29 8.355 5.001 3.737 1.00 0.00 O ATOM 437 CB LEU A 29 7.782 2.354 2.832 1.00 0.00 C ATOM 438 CG LEU A 29 7.854 1.314 1.727 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.033 1.585 0.801 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.855 -0.088 2.282 1.00 0.00 C ATOM 0 H LEU A 29 9.086 1.183 4.807 1.00 0.00 H new ATOM 0 HA LEU A 29 9.811 3.000 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.140 1.963 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.290 3.239 2.430 1.00 0.00 H new ATOM 0 HG LEU A 29 6.951 1.398 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.063 0.827 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.921 2.570 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.960 1.552 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.907 -0.804 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.718 -0.220 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.940 -0.255 2.851 1.00 0.00 H new ATOM 452 N ASN A 30 9.212 3.973 5.521 1.00 0.00 N ATOM 453 CA ASN A 30 8.994 5.084 6.430 1.00 0.00 C ATOM 454 C ASN A 30 9.699 6.354 5.936 1.00 0.00 C ATOM 455 O ASN A 30 9.189 7.456 6.124 1.00 0.00 O ATOM 456 CB ASN A 30 9.416 4.714 7.866 1.00 0.00 C ATOM 457 CG ASN A 30 9.192 5.833 8.870 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.107 5.957 9.449 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.212 6.616 9.124 1.00 0.00 N ATOM 0 H ASN A 30 9.667 3.167 5.949 1.00 0.00 H new ATOM 0 HA ASN A 30 7.926 5.299 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.858 3.833 8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.471 4.441 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.125 7.357 9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.093 6.484 8.626 1.00 0.00 H new ATOM 466 N HIS A 31 10.832 6.187 5.237 1.00 0.00 N ATOM 467 CA HIS A 31 11.561 7.337 4.703 1.00 0.00 C ATOM 468 C HIS A 31 10.755 7.921 3.558 1.00 0.00 C ATOM 469 O HIS A 31 10.456 9.100 3.543 1.00 0.00 O ATOM 470 CB HIS A 31 12.965 6.960 4.169 1.00 0.00 C ATOM 471 CG HIS A 31 13.881 8.148 3.979 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.186 8.180 4.397 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.658 9.346 3.371 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.705 9.352 4.046 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.817 10.104 3.416 1.00 0.00 N ATOM 0 H HIS A 31 11.254 5.281 5.033 1.00 0.00 H new ATOM 0 HA HIS A 31 11.697 8.051 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.432 6.259 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.855 6.441 3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.725 9.656 2.924 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.722 9.652 4.249 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.956 11.043 3.043 1.00 0.00 H new ATOM 483 N CYS A 32 10.401 7.063 2.626 1.00 0.00 N ATOM 484 CA CYS A 32 9.654 7.421 1.421 1.00 0.00 C ATOM 485 C CYS A 32 8.345 8.102 1.829 1.00 0.00 C ATOM 486 O CYS A 32 7.985 9.170 1.333 1.00 0.00 O ATOM 487 CB CYS A 32 9.392 6.137 0.623 1.00 0.00 C ATOM 488 SG CYS A 32 9.310 6.312 -1.177 1.00 0.00 S ATOM 0 H CYS A 32 10.626 6.070 2.679 1.00 0.00 H new ATOM 0 HA CYS A 32 10.216 8.116 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.178 5.420 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.452 5.706 0.968 1.00 0.00 H new ATOM 493 N GLN A 33 7.690 7.488 2.770 1.00 0.00 N ATOM 494 CA GLN A 33 6.508 7.980 3.396 1.00 0.00 C ATOM 495 C GLN A 33 6.713 9.408 3.938 1.00 0.00 C ATOM 496 O GLN A 33 6.006 10.336 3.549 1.00 0.00 O ATOM 497 CB GLN A 33 6.208 7.034 4.532 1.00 0.00 C ATOM 498 CG GLN A 33 5.249 7.559 5.544 1.00 0.00 C ATOM 499 CD GLN A 33 5.283 6.741 6.800 1.00 0.00 C ATOM 500 OE1 GLN A 33 4.549 5.789 6.960 1.00 0.00 O ATOM 501 NE2 GLN A 33 6.154 7.102 7.703 1.00 0.00 N ATOM 0 H GLN A 33 7.985 6.583 3.137 1.00 0.00 H new ATOM 0 HA GLN A 33 5.687 8.029 2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.808 6.108 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.143 6.782 5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.492 8.596 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.241 7.553 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.757 7.908 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.232 6.578 8.575 1.00 0.00 H new ATOM 510 N MET A 34 7.721 9.581 4.787 1.00 0.00 N ATOM 511 CA MET A 34 7.929 10.852 5.461 1.00 0.00 C ATOM 512 C MET A 34 8.396 11.908 4.505 1.00 0.00 C ATOM 513 O MET A 34 8.042 13.070 4.639 1.00 0.00 O ATOM 514 CB MET A 34 8.902 10.728 6.645 1.00 0.00 C ATOM 515 CG MET A 34 10.367 10.491 6.298 1.00 0.00 C ATOM 516 SD MET A 34 11.404 10.205 7.753 1.00 0.00 S ATOM 517 CE MET A 34 11.143 11.731 8.665 1.00 0.00 C ATOM 0 H MET A 34 8.402 8.859 5.022 1.00 0.00 H new ATOM 0 HA MET A 34 6.961 11.155 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.835 11.640 7.239 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.565 9.909 7.280 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.442 9.632 5.631 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.749 11.353 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.068 12.020 9.163 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.840 12.519 7.976 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.362 11.581 9.410 1.00 0.00 H new ATOM 527 N HIS A 35 9.164 11.503 3.524 1.00 0.00 N ATOM 528 CA HIS A 35 9.694 12.444 2.559 1.00 0.00 C ATOM 529 C HIS A 35 8.600 12.993 1.650 1.00 0.00 C ATOM 530 O HIS A 35 8.740 14.067 1.069 1.00 0.00 O ATOM 531 CB HIS A 35 10.929 11.897 1.776 1.00 0.00 C ATOM 532 CG HIS A 35 10.747 10.883 0.661 1.00 0.00 C ATOM 533 ND1 HIS A 35 9.878 11.022 -0.404 1.00 0.00 N ATOM 534 CD2 HIS A 35 11.453 9.760 0.405 1.00 0.00 C ATOM 535 CE1 HIS A 35 10.090 10.006 -1.247 1.00 0.00 C ATOM 536 NE2 HIS A 35 11.038 9.215 -0.802 1.00 0.00 N ATOM 0 H HIS A 35 9.437 10.532 3.370 1.00 0.00 H new ATOM 0 HA HIS A 35 10.080 13.289 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.445 12.756 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.603 11.453 2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.194 11.769 -0.526 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.222 9.349 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.552 9.856 -2.172 1.00 0.00 H new ATOM 544 N LEU A 36 7.525 12.247 1.524 1.00 0.00 N ATOM 545 CA LEU A 36 6.377 12.703 0.764 1.00 0.00 C ATOM 546 C LEU A 36 5.405 13.494 1.626 1.00 0.00 C ATOM 547 O LEU A 36 4.805 14.441 1.161 1.00 0.00 O ATOM 548 CB LEU A 36 5.644 11.542 0.104 1.00 0.00 C ATOM 549 CG LEU A 36 6.438 10.769 -0.945 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.658 9.568 -1.421 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.808 11.664 -2.120 1.00 0.00 C ATOM 0 H LEU A 36 7.419 11.321 1.938 1.00 0.00 H new ATOM 0 HA LEU A 36 6.766 13.361 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.330 10.846 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.738 11.927 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 36 7.361 10.422 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.240 9.029 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.453 8.909 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.717 9.897 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.373 11.088 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.900 12.049 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.416 12.497 -1.766 1.00 0.00 H new ATOM 563 N THR A 37 5.240 13.115 2.867 1.00 0.00 N ATOM 564 CA THR A 37 4.268 13.798 3.688 1.00 0.00 C ATOM 565 C THR A 37 4.793 15.134 4.249 1.00 0.00 C ATOM 566 O THR A 37 4.009 15.999 4.650 1.00 0.00 O ATOM 567 CB THR A 37 3.727 12.883 4.813 1.00 0.00 C ATOM 568 OG1 THR A 37 4.798 12.446 5.667 1.00 0.00 O ATOM 569 CG2 THR A 37 3.066 11.655 4.213 1.00 0.00 C ATOM 0 H THR A 37 5.749 12.359 3.324 1.00 0.00 H new ATOM 0 HA THR A 37 3.434 14.046 3.032 1.00 0.00 H new ATOM 0 HB THR A 37 3.003 13.456 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.455 11.798 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.689 11.018 5.013 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.239 11.963 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.795 11.102 3.622 1.00 0.00 H new ATOM 577 N SER A 38 6.100 15.296 4.274 1.00 0.00 N ATOM 578 CA SER A 38 6.696 16.503 4.811 1.00 0.00 C ATOM 579 C SER A 38 6.880 17.593 3.751 1.00 0.00 C ATOM 580 O SER A 38 7.322 17.323 2.625 1.00 0.00 O ATOM 581 CB SER A 38 8.028 16.204 5.530 1.00 0.00 C ATOM 582 OG SER A 38 8.963 15.556 4.671 1.00 0.00 O ATOM 0 H SER A 38 6.770 14.608 3.929 1.00 0.00 H new ATOM 0 HA SER A 38 5.991 16.891 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.459 17.135 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.838 15.575 6.400 1.00 0.00 H new ATOM 0 HG SER A 38 8.843 14.585 4.730 1.00 0.00 H new ATOM 588 N PHE A 39 6.530 18.800 4.103 1.00 0.00 N ATOM 589 CA PHE A 39 6.790 19.947 3.277 1.00 0.00 C ATOM 590 C PHE A 39 7.737 20.842 4.023 1.00 0.00 C ATOM 591 O PHE A 39 7.396 21.374 5.088 1.00 0.00 O ATOM 592 CB PHE A 39 5.510 20.701 2.915 1.00 0.00 C ATOM 593 CG PHE A 39 4.585 19.923 2.034 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.828 19.833 0.674 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.479 19.285 2.558 1.00 0.00 C ATOM 596 CE1 PHE A 39 3.985 19.121 -0.144 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.632 18.572 1.745 1.00 0.00 C ATOM 598 CZ PHE A 39 2.885 18.489 0.390 1.00 0.00 C ATOM 0 H PHE A 39 6.053 19.017 4.978 1.00 0.00 H new ATOM 0 HA PHE A 39 7.227 19.618 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.985 20.969 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.776 21.633 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.690 20.328 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.278 19.347 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.185 19.057 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.769 18.077 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.220 17.928 -0.250 1.00 0.00 H new ATOM 865 N HIS A 55 15.734 12.023 -2.148 1.00 0.00 N ATOM 866 CA HIS A 55 15.045 11.167 -1.213 1.00 0.00 C ATOM 867 C HIS A 55 14.469 9.946 -1.937 1.00 0.00 C ATOM 868 O HIS A 55 14.321 8.866 -1.367 1.00 0.00 O ATOM 869 CB HIS A 55 13.994 11.960 -0.387 1.00 0.00 C ATOM 870 CG HIS A 55 12.968 12.778 -1.168 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.342 13.899 -0.659 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.413 12.572 -2.387 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.444 14.319 -1.558 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.444 13.544 -2.630 1.00 0.00 N ATOM 0 HA HIS A 55 15.758 10.787 -0.482 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.454 11.252 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.528 12.636 0.280 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.681 11.776 -3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.803 15.178 -1.426 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.858 13.638 -3.460 1.00 0.00 H new ATOM 882 N LEU A 56 14.259 10.116 -3.225 1.00 0.00 N ATOM 883 CA LEU A 56 13.793 9.066 -4.095 1.00 0.00 C ATOM 884 C LEU A 56 14.933 8.133 -4.348 1.00 0.00 C ATOM 885 O LEU A 56 14.740 6.942 -4.382 1.00 0.00 O ATOM 886 CB LEU A 56 13.176 9.657 -5.411 1.00 0.00 C ATOM 887 CG LEU A 56 12.770 8.695 -6.577 1.00 0.00 C ATOM 888 CD1 LEU A 56 13.975 8.227 -7.399 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.004 7.495 -6.051 1.00 0.00 C ATOM 0 H LEU A 56 14.411 11.005 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 56 12.986 8.505 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.287 10.221 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.893 10.373 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 56 12.123 9.270 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.637 7.562 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.475 9.091 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.672 7.694 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.734 6.843 -6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.628 6.945 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.099 7.834 -5.547 1.00 0.00 H new ATOM 901 N SER A 57 16.123 8.678 -4.503 1.00 0.00 N ATOM 902 CA SER A 57 17.309 7.879 -4.659 1.00 0.00 C ATOM 903 C SER A 57 17.461 6.937 -3.463 1.00 0.00 C ATOM 904 O SER A 57 17.850 5.796 -3.613 1.00 0.00 O ATOM 905 CB SER A 57 18.518 8.789 -4.825 1.00 0.00 C ATOM 906 OG SER A 57 18.306 9.691 -5.904 1.00 0.00 O ATOM 0 H SER A 57 16.289 9.684 -4.524 1.00 0.00 H new ATOM 0 HA SER A 57 17.230 7.263 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.693 9.346 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.410 8.191 -5.011 1.00 0.00 H new ATOM 0 HG SER A 57 19.088 10.273 -6.002 1.00 0.00 H new ATOM 912 N LEU A 58 17.077 7.412 -2.294 1.00 0.00 N ATOM 913 CA LEU A 58 17.112 6.592 -1.094 1.00 0.00 C ATOM 914 C LEU A 58 15.988 5.543 -1.103 1.00 0.00 C ATOM 915 O LEU A 58 16.241 4.349 -0.910 1.00 0.00 O ATOM 916 CB LEU A 58 16.998 7.479 0.128 1.00 0.00 C ATOM 917 CG LEU A 58 17.996 8.637 0.146 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.730 9.560 1.310 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.428 8.118 0.205 1.00 0.00 C ATOM 0 H LEU A 58 16.737 8.362 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 58 18.062 6.057 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.987 7.883 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.145 6.872 1.021 1.00 0.00 H new ATOM 0 HG LEU A 58 17.868 9.200 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.453 10.375 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.722 9.968 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.822 9.004 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.120 8.960 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.563 7.525 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.626 7.498 -0.669 1.00 0.00 H new ATOM 931 N CYS A 59 14.766 5.992 -1.331 1.00 0.00 N ATOM 932 CA CYS A 59 13.585 5.111 -1.361 1.00 0.00 C ATOM 933 C CYS A 59 13.710 4.046 -2.467 1.00 0.00 C ATOM 934 O CYS A 59 13.592 2.853 -2.201 1.00 0.00 O ATOM 935 CB CYS A 59 12.324 5.960 -1.573 1.00 0.00 C ATOM 936 SG CYS A 59 10.763 5.026 -1.801 1.00 0.00 S ATOM 0 H CYS A 59 14.552 6.975 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 59 13.515 4.587 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.207 6.623 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.478 6.593 -2.447 1.00 0.00 H new ATOM 941 N CYS A 60 14.024 4.490 -3.680 1.00 0.00 N ATOM 942 CA CYS A 60 14.193 3.629 -4.853 1.00 0.00 C ATOM 943 C CYS A 60 15.285 2.625 -4.606 1.00 0.00 C ATOM 944 O CYS A 60 15.175 1.484 -5.000 1.00 0.00 O ATOM 945 CB CYS A 60 14.484 4.479 -6.123 1.00 0.00 C ATOM 946 SG CYS A 60 14.804 3.564 -7.690 1.00 0.00 S ATOM 0 H CYS A 60 14.172 5.479 -3.883 1.00 0.00 H new ATOM 0 HA CYS A 60 13.264 3.086 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.636 5.144 -6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.349 5.110 -5.917 1.00 0.00 H new ATOM 951 N ASN A 61 16.288 3.028 -3.857 1.00 0.00 N ATOM 952 CA ASN A 61 17.430 2.151 -3.588 1.00 0.00 C ATOM 953 C ASN A 61 17.084 1.151 -2.508 1.00 0.00 C ATOM 954 O ASN A 61 17.686 0.088 -2.402 1.00 0.00 O ATOM 955 CB ASN A 61 18.651 2.955 -3.192 1.00 0.00 C ATOM 956 CG ASN A 61 19.942 2.141 -3.166 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.319 1.561 -2.141 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.635 2.092 -4.282 1.00 0.00 N ATOM 0 H ASN A 61 16.346 3.949 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 61 17.664 1.609 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.770 3.785 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.485 3.388 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.508 1.566 -4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.300 2.580 -5.112 1.00 0.00 H new ATOM 965 N GLN A 62 16.120 1.493 -1.708 1.00 0.00 N ATOM 966 CA GLN A 62 15.690 0.633 -0.648 1.00 0.00 C ATOM 967 C GLN A 62 14.724 -0.418 -1.192 1.00 0.00 C ATOM 968 O GLN A 62 14.904 -1.627 -0.975 1.00 0.00 O ATOM 969 CB GLN A 62 15.053 1.464 0.478 1.00 0.00 C ATOM 970 CG GLN A 62 14.692 0.682 1.737 1.00 0.00 C ATOM 971 CD GLN A 62 15.901 0.025 2.390 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.239 -1.132 2.102 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.574 0.753 3.245 1.00 0.00 N ATOM 0 H GLN A 62 15.610 2.374 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 62 16.550 0.111 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.741 2.264 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.150 1.938 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.218 1.353 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.959 -0.085 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.268 1.702 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.405 0.371 3.697 1.00 0.00 H new ATOM 982 N LEU A 63 13.759 0.039 -1.952 1.00 0.00 N ATOM 983 CA LEU A 63 12.722 -0.815 -2.504 1.00 0.00 C ATOM 984 C LEU A 63 13.293 -1.791 -3.543 1.00 0.00 C ATOM 985 O LEU A 63 12.833 -2.907 -3.669 1.00 0.00 O ATOM 986 CB LEU A 63 11.615 0.064 -3.122 1.00 0.00 C ATOM 987 CG LEU A 63 11.955 0.813 -4.400 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.671 -0.017 -5.617 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.230 2.117 -4.450 1.00 0.00 C ATOM 0 H LEU A 63 13.666 1.021 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 63 12.298 -1.417 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.752 -0.571 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.307 0.795 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 63 13.025 1.019 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.926 0.550 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.268 -0.929 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.613 -0.277 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.485 2.640 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.155 1.937 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.519 2.727 -3.594 1.00 0.00 H new ATOM 1001 N GLN A 64 14.310 -1.347 -4.273 1.00 0.00 N ATOM 1002 CA GLN A 64 14.905 -2.140 -5.352 1.00 0.00 C ATOM 1003 C GLN A 64 15.673 -3.353 -4.816 1.00 0.00 C ATOM 1004 O GLN A 64 16.072 -4.233 -5.579 1.00 0.00 O ATOM 1005 CB GLN A 64 15.847 -1.279 -6.179 1.00 0.00 C ATOM 1006 CG GLN A 64 17.104 -0.919 -5.433 1.00 0.00 C ATOM 1007 CD GLN A 64 18.089 -0.129 -6.238 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.728 0.660 -7.119 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.336 -0.341 -5.959 1.00 0.00 N ATOM 0 H GLN A 64 14.745 -0.435 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 64 14.086 -2.502 -5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.111 -1.810 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.332 -0.366 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.835 -0.347 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.584 -1.835 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.589 -1.001 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.065 0.152 -6.475 1.00 0.00 H new ATOM 1018 N GLU A 65 15.916 -3.377 -3.527 1.00 0.00 N ATOM 1019 CA GLU A 65 16.629 -4.481 -2.934 1.00 0.00 C ATOM 1020 C GLU A 65 15.637 -5.565 -2.515 1.00 0.00 C ATOM 1021 O GLU A 65 16.017 -6.675 -2.146 1.00 0.00 O ATOM 1022 CB GLU A 65 17.470 -4.012 -1.756 1.00 0.00 C ATOM 1023 CG GLU A 65 18.500 -2.933 -2.103 1.00 0.00 C ATOM 1024 CD GLU A 65 19.473 -3.333 -3.194 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.085 -4.404 -3.093 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.687 -2.542 -4.151 1.00 0.00 O ATOM 0 H GLU A 65 15.632 -2.648 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 65 17.313 -4.903 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.806 -3.628 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.990 -4.871 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.974 -2.030 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 65 19.063 -2.681 -1.204 1.00 0.00 H new ATOM 1033 N VAL A 66 14.369 -5.204 -2.555 1.00 0.00 N ATOM 1034 CA VAL A 66 13.256 -6.121 -2.314 1.00 0.00 C ATOM 1035 C VAL A 66 13.008 -6.906 -3.622 1.00 0.00 C ATOM 1036 O VAL A 66 13.577 -6.546 -4.666 1.00 0.00 O ATOM 1037 CB VAL A 66 11.962 -5.316 -1.931 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.818 -6.218 -1.480 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.269 -4.288 -0.865 1.00 0.00 C ATOM 0 H VAL A 66 14.071 -4.250 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 66 13.494 -6.797 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 66 11.631 -4.808 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.951 -5.607 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.557 -6.905 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.127 -6.787 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.360 -3.741 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.649 -4.789 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.020 -3.591 -1.237 1.00 0.00 H new ATOM 1049 N GLU A 67 12.257 -8.017 -3.551 1.00 0.00 N ATOM 1050 CA GLU A 67 11.841 -8.777 -4.742 1.00 0.00 C ATOM 1051 C GLU A 67 11.327 -7.845 -5.828 1.00 0.00 C ATOM 1052 O GLU A 67 10.546 -6.943 -5.547 1.00 0.00 O ATOM 1053 CB GLU A 67 10.754 -9.780 -4.380 1.00 0.00 C ATOM 1054 CG GLU A 67 11.256 -11.027 -3.701 1.00 0.00 C ATOM 1055 CD GLU A 67 10.132 -11.938 -3.264 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.743 -12.860 -4.017 1.00 0.00 O ATOM 1057 OE2 GLU A 67 9.629 -11.764 -2.140 1.00 0.00 O ATOM 0 H GLU A 67 11.923 -8.412 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 67 12.714 -9.310 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.030 -9.292 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.223 -10.065 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.914 -11.568 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.853 -10.749 -2.833 1.00 0.00 H new ATOM 1064 N LYS A 68 11.735 -8.100 -7.059 1.00 0.00 N ATOM 1065 CA LYS A 68 11.436 -7.229 -8.203 1.00 0.00 C ATOM 1066 C LYS A 68 9.939 -7.024 -8.423 1.00 0.00 C ATOM 1067 O LYS A 68 9.489 -5.931 -8.766 1.00 0.00 O ATOM 1068 CB LYS A 68 12.143 -7.730 -9.467 1.00 0.00 C ATOM 1069 CG LYS A 68 11.781 -9.134 -9.904 1.00 0.00 C ATOM 1070 CD LYS A 68 12.654 -9.591 -11.055 1.00 0.00 C ATOM 1071 CE LYS A 68 14.094 -9.842 -10.613 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.946 -10.319 -11.723 1.00 0.00 N ATOM 0 H LYS A 68 12.288 -8.921 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 68 11.832 -6.242 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.918 -7.045 -10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.219 -7.686 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.893 -9.820 -9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.733 -9.166 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.241 -10.504 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.642 -8.836 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.513 -8.921 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.102 -10.578 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.914 -10.476 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.563 -11.211 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.961 -9.606 -12.480 1.00 0.00 H new ATOM 1086 N GLN A 69 9.181 -8.047 -8.134 1.00 0.00 N ATOM 1087 CA GLN A 69 7.733 -8.012 -8.268 1.00 0.00 C ATOM 1088 C GLN A 69 7.099 -7.223 -7.120 1.00 0.00 C ATOM 1089 O GLN A 69 5.994 -6.711 -7.231 1.00 0.00 O ATOM 1090 CB GLN A 69 7.196 -9.441 -8.285 1.00 0.00 C ATOM 1091 CG GLN A 69 7.665 -10.270 -7.102 1.00 0.00 C ATOM 1092 CD GLN A 69 7.179 -11.688 -7.135 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.094 -11.984 -7.637 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.977 -12.576 -6.629 1.00 0.00 N ATOM 0 H GLN A 69 9.544 -8.938 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 69 7.475 -7.512 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.106 -9.413 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.508 -9.929 -9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.755 -10.268 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.324 -9.799 -6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.867 -12.289 -6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.714 -13.562 -6.637 1.00 0.00 H new ATOM 1103 N CYS A 70 7.835 -7.091 -6.057 1.00 0.00 N ATOM 1104 CA CYS A 70 7.366 -6.479 -4.850 1.00 0.00 C ATOM 1105 C CYS A 70 7.898 -5.057 -4.723 1.00 0.00 C ATOM 1106 O CYS A 70 7.474 -4.312 -3.855 1.00 0.00 O ATOM 1107 CB CYS A 70 7.820 -7.317 -3.664 1.00 0.00 C ATOM 1108 SG CYS A 70 7.323 -9.087 -3.747 1.00 0.00 S ATOM 0 H CYS A 70 8.801 -7.414 -6.004 1.00 0.00 H new ATOM 0 HA CYS A 70 6.277 -6.429 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.906 -7.261 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.415 -6.881 -2.751 1.00 0.00 H new ATOM 1113 N GLN A 71 8.829 -4.691 -5.602 1.00 0.00 N ATOM 1114 CA GLN A 71 9.420 -3.348 -5.618 1.00 0.00 C ATOM 1115 C GLN A 71 8.349 -2.290 -5.832 1.00 0.00 C ATOM 1116 O GLN A 71 8.329 -1.268 -5.166 1.00 0.00 O ATOM 1117 CB GLN A 71 10.493 -3.246 -6.702 1.00 0.00 C ATOM 1118 CG GLN A 71 11.740 -4.082 -6.437 1.00 0.00 C ATOM 1119 CD GLN A 71 12.788 -4.003 -7.557 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.912 -2.863 -8.184 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.512 -4.964 -7.822 1.00 0.00 N flip ATOM 0 H GLN A 71 9.196 -5.313 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 71 9.888 -3.172 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.060 -3.553 -7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.787 -2.202 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.195 -3.753 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.446 -5.123 -6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.396 -5.844 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.227 -4.880 -8.544 1.00 0.00 H new ATOM 1130 N CYS A 72 7.435 -2.553 -6.737 1.00 0.00 N ATOM 1131 CA CYS A 72 6.354 -1.625 -6.976 1.00 0.00 C ATOM 1132 C CYS A 72 5.286 -1.745 -5.926 1.00 0.00 C ATOM 1133 O CYS A 72 4.560 -0.795 -5.643 1.00 0.00 O ATOM 1134 CB CYS A 72 5.787 -1.777 -8.365 1.00 0.00 C ATOM 1135 SG CYS A 72 5.441 -3.480 -8.897 1.00 0.00 S ATOM 0 H CYS A 72 7.417 -3.393 -7.315 1.00 0.00 H new ATOM 0 HA CYS A 72 6.768 -0.619 -6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.862 -1.203 -8.424 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.485 -1.330 -9.073 1.00 0.00 H new ATOM 1140 N GLU A 73 5.224 -2.890 -5.319 1.00 0.00 N ATOM 1141 CA GLU A 73 4.259 -3.140 -4.284 1.00 0.00 C ATOM 1142 C GLU A 73 4.618 -2.370 -3.028 1.00 0.00 C ATOM 1143 O GLU A 73 3.739 -1.904 -2.297 1.00 0.00 O ATOM 1144 CB GLU A 73 4.140 -4.619 -4.007 1.00 0.00 C ATOM 1145 CG GLU A 73 3.671 -5.401 -5.225 1.00 0.00 C ATOM 1146 CD GLU A 73 2.303 -4.922 -5.736 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.231 -3.918 -6.491 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.275 -5.553 -5.409 1.00 0.00 O ATOM 0 H GLU A 73 5.838 -3.678 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 73 3.285 -2.790 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.106 -5.004 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.441 -4.777 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.408 -5.304 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.612 -6.460 -4.973 1.00 0.00 H new ATOM 1155 N ALA A 74 5.919 -2.196 -2.805 1.00 0.00 N ATOM 1156 CA ALA A 74 6.414 -1.430 -1.697 1.00 0.00 C ATOM 1157 C ALA A 74 5.919 0.007 -1.802 1.00 0.00 C ATOM 1158 O ALA A 74 5.641 0.651 -0.797 1.00 0.00 O ATOM 1159 CB ALA A 74 7.938 -1.483 -1.661 1.00 0.00 C ATOM 0 H ALA A 74 6.650 -2.589 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 74 6.039 -1.857 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.303 -0.898 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.264 -2.518 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.338 -1.071 -2.587 1.00 0.00 H new ATOM 1165 N ILE A 75 5.714 0.457 -3.045 1.00 0.00 N ATOM 1166 CA ILE A 75 5.270 1.816 -3.322 1.00 0.00 C ATOM 1167 C ILE A 75 3.848 1.990 -2.854 1.00 0.00 C ATOM 1168 O ILE A 75 3.478 3.036 -2.328 1.00 0.00 O ATOM 1169 CB ILE A 75 5.282 2.137 -4.832 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.604 1.752 -5.480 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.989 3.604 -5.060 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.814 2.343 -4.834 1.00 0.00 C ATOM 0 H ILE A 75 5.852 -0.113 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 75 5.958 2.481 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 75 4.500 1.541 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.696 0.666 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.582 2.057 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.001 3.815 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.007 3.847 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.748 4.208 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.707 2.013 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.752 3.431 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.867 2.018 -3.795 1.00 0.00 H new ATOM 1184 N LYS A 76 3.070 0.928 -3.000 1.00 0.00 N ATOM 1185 CA LYS A 76 1.665 0.957 -2.676 1.00 0.00 C ATOM 1186 C LYS A 76 1.561 1.217 -1.205 1.00 0.00 C ATOM 1187 O LYS A 76 0.836 2.126 -0.750 1.00 0.00 O ATOM 1188 CB LYS A 76 1.021 -0.404 -2.999 1.00 0.00 C ATOM 1189 CG LYS A 76 1.296 -0.924 -4.406 1.00 0.00 C ATOM 1190 CD LYS A 76 0.731 -0.019 -5.473 1.00 0.00 C ATOM 1191 CE LYS A 76 1.039 -0.542 -6.870 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.532 -1.921 -7.094 1.00 0.00 N ATOM 0 H LYS A 76 3.401 0.027 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 76 1.152 1.726 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.379 -1.140 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.057 -0.322 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.372 -1.024 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.866 -1.920 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.348 0.066 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.146 0.983 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.598 0.127 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.117 -0.526 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.393 -2.079 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.222 -2.608 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.374 -2.043 -6.598 1.00 0.00 H new ATOM 1206 N GLN A 77 2.404 0.496 -0.485 1.00 0.00 N ATOM 1207 CA GLN A 77 2.451 0.539 0.951 1.00 0.00 C ATOM 1208 C GLN A 77 2.804 1.921 1.420 1.00 0.00 C ATOM 1209 O GLN A 77 2.199 2.403 2.367 1.00 0.00 O ATOM 1210 CB GLN A 77 3.472 -0.415 1.511 1.00 0.00 C ATOM 1211 CG GLN A 77 3.538 -1.764 0.839 1.00 0.00 C ATOM 1212 CD GLN A 77 4.211 -2.780 1.719 1.00 0.00 C ATOM 1213 OE1 GLN A 77 3.933 -3.976 1.644 1.00 0.00 O ATOM 1214 NE2 GLN A 77 5.080 -2.324 2.576 1.00 0.00 N ATOM 0 H GLN A 77 3.083 -0.144 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 77 1.461 0.250 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.455 0.052 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.260 -0.566 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.530 -2.101 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.081 -1.678 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.286 -1.326 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.554 -2.965 3.212 1.00 0.00 H new ATOM 1223 N VAL A 78 3.781 2.560 0.729 1.00 0.00 N ATOM 1224 CA VAL A 78 4.221 3.924 1.059 1.00 0.00 C ATOM 1225 C VAL A 78 3.033 4.834 1.093 1.00 0.00 C ATOM 1226 O VAL A 78 2.833 5.563 2.046 1.00 0.00 O ATOM 1227 CB VAL A 78 5.193 4.548 0.011 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.696 5.889 0.496 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.349 3.653 -0.326 1.00 0.00 C ATOM 0 H VAL A 78 4.275 2.145 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 78 4.735 3.836 2.016 1.00 0.00 H new ATOM 0 HB VAL A 78 4.620 4.679 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.373 6.313 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.852 6.563 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.226 5.759 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.988 4.144 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.925 3.447 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.975 2.716 -0.740 1.00 0.00 H new ATOM 1239 N VAL A 79 2.212 4.733 0.067 1.00 0.00 N ATOM 1240 CA VAL A 79 1.092 5.620 -0.089 1.00 0.00 C ATOM 1241 C VAL A 79 0.090 5.340 1.003 1.00 0.00 C ATOM 1242 O VAL A 79 -0.380 6.248 1.673 1.00 0.00 O ATOM 1243 CB VAL A 79 0.410 5.417 -1.448 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.698 6.424 -1.657 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.411 5.452 -2.588 1.00 0.00 C ATOM 0 H VAL A 79 2.306 4.037 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 79 1.454 6.647 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.039 4.424 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.164 6.256 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.446 6.311 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.285 7.432 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.890 5.305 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.917 6.418 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.146 4.659 -2.451 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.164 4.065 1.199 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.107 3.570 2.168 1.00 0.00 C ATOM 1257 C GLU A 80 -0.741 4.080 3.576 1.00 0.00 C ATOM 1258 O GLU A 80 -1.560 4.697 4.252 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.076 2.044 2.127 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.127 1.348 2.955 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.881 -0.133 3.015 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.251 -0.860 2.073 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.268 -0.595 3.992 1.00 0.00 O ATOM 0 H GLU A 80 0.296 3.324 0.670 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.110 3.927 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.185 1.724 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.094 1.709 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.130 1.760 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.113 1.538 2.530 1.00 0.00 H new ATOM 1270 N GLN A 81 0.509 3.883 3.966 1.00 0.00 N ATOM 1271 CA GLN A 81 0.973 4.265 5.290 1.00 0.00 C ATOM 1272 C GLN A 81 1.106 5.790 5.426 1.00 0.00 C ATOM 1273 O GLN A 81 0.860 6.347 6.497 1.00 0.00 O ATOM 1274 CB GLN A 81 2.286 3.533 5.653 1.00 0.00 C ATOM 1275 CG GLN A 81 3.478 3.866 4.767 1.00 0.00 C ATOM 1276 CD GLN A 81 4.675 2.979 5.035 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.846 1.942 4.405 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.487 3.358 5.979 1.00 0.00 N ATOM 0 H GLN A 81 1.226 3.457 3.378 1.00 0.00 H new ATOM 0 HA GLN A 81 0.217 3.951 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.543 3.771 6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.109 2.458 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.186 3.768 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.761 4.907 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.313 4.228 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.297 2.785 6.215 1.00 0.00 H new ATOM 1287 N ALA A 82 1.435 6.457 4.335 1.00 0.00 N ATOM 1288 CA ALA A 82 1.588 7.903 4.337 1.00 0.00 C ATOM 1289 C ALA A 82 0.242 8.602 4.426 1.00 0.00 C ATOM 1290 O ALA A 82 0.096 9.605 5.125 1.00 0.00 O ATOM 1291 CB ALA A 82 2.339 8.373 3.102 1.00 0.00 C ATOM 0 H ALA A 82 1.603 6.018 3.430 1.00 0.00 H new ATOM 0 HA ALA A 82 2.169 8.166 5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.440 9.458 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.329 7.917 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.788 8.081 2.208 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.748 8.065 3.753 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.049 8.688 3.763 1.00 0.00 C ATOM 1299 C GLN A 83 -2.742 8.423 5.077 1.00 0.00 C ATOM 1300 O GLN A 83 -3.417 9.293 5.607 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.933 8.273 2.565 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.326 6.804 2.509 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.209 6.488 1.323 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.725 6.153 0.234 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.500 6.588 1.510 1.00 0.00 N ATOM 0 H GLN A 83 -0.680 7.211 3.200 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.891 9.761 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.843 8.873 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.406 8.524 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.426 6.191 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.847 6.535 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.863 6.867 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.143 6.387 0.744 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.514 7.244 5.641 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.158 6.886 6.880 1.00 0.00 C ATOM 1316 C LYS A 84 -2.563 7.650 8.046 1.00 0.00 C ATOM 1317 O LYS A 84 -3.269 7.999 8.980 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.160 5.349 7.107 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.807 4.667 7.341 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.340 4.772 8.771 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.129 3.905 9.023 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.270 3.902 10.446 1.00 0.00 N ATOM 0 H LYS A 84 -1.893 6.531 5.258 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.205 7.182 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.797 5.137 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.627 4.881 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.883 3.615 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.061 5.116 6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.100 5.810 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.147 4.475 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.343 2.884 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.703 4.260 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.105 3.294 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.500 4.871 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.513 3.538 11.025 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.272 7.962 7.961 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.607 8.645 9.051 1.00 0.00 C ATOM 1338 C GLN A 85 -1.076 10.092 9.142 1.00 0.00 C ATOM 1339 O GLN A 85 -1.157 10.663 10.228 1.00 0.00 O ATOM 1340 CB GLN A 85 0.916 8.557 8.942 1.00 0.00 C ATOM 1341 CG GLN A 85 1.537 9.373 7.825 1.00 0.00 C ATOM 1342 CD GLN A 85 3.035 9.546 7.966 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.609 10.543 7.511 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.674 8.621 8.611 1.00 0.00 N ATOM 0 H GLN A 85 -0.679 7.754 7.158 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.884 8.137 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.350 8.879 9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.193 7.512 8.803 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.323 8.891 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.066 10.356 7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.171 7.811 8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.680 8.703 8.756 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.376 10.676 8.006 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.926 12.007 7.974 1.00 0.00 C ATOM 1355 C LEU A 86 -3.415 11.992 8.309 1.00 0.00 C ATOM 1356 O LEU A 86 -3.910 12.870 9.030 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.627 12.696 6.628 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.357 13.546 6.572 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.469 14.700 7.533 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.868 12.736 6.900 1.00 0.00 C ATOM 0 H LEU A 86 -1.247 10.247 7.090 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.437 12.602 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.559 11.928 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.475 13.331 6.372 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.253 13.920 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.439 15.301 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.326 15.317 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.601 14.319 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.750 13.374 6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.774 12.325 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.968 11.921 6.183 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.101 10.951 7.837 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.542 10.746 8.062 1.00 0.00 C ATOM 1374 C GLN A 87 -5.853 10.691 9.554 1.00 0.00 C ATOM 1375 O GLN A 87 -6.824 11.280 10.026 1.00 0.00 O ATOM 1376 CB GLN A 87 -5.973 9.418 7.429 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.474 9.153 7.436 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.833 7.770 6.904 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.024 6.781 7.197 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -8.884 7.583 6.284 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.671 10.213 7.279 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.081 11.579 7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.621 9.394 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.474 8.604 7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.851 9.255 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.975 9.910 6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.496 8.370 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.140 6.641 5.987 1.00 0.00 H new ATOM 1389 N GLN A 88 -4.998 10.006 10.290 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.197 9.805 11.721 1.00 0.00 C ATOM 1391 C GLN A 88 -4.782 11.045 12.504 1.00 0.00 C ATOM 1392 O GLN A 88 -5.129 11.199 13.682 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.404 8.579 12.212 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.895 8.728 12.089 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.119 7.497 12.504 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.583 6.363 12.374 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -0.929 7.705 12.991 1.00 0.00 N ATOM 0 H GLN A 88 -4.151 9.574 9.921 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.259 9.626 11.892 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.656 8.390 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.720 7.704 11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.647 8.970 11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.573 9.571 12.700 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.576 8.657 13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.350 6.916 13.278 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.069 11.928 11.850 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.555 13.090 12.496 1.00 0.00 C ATOM 1408 C GLY A 89 -4.423 14.305 12.299 1.00 0.00 C ATOM 1409 O GLY A 89 -5.505 14.404 12.893 1.00 0.00 O ATOM 0 H GLY A 89 -3.834 11.854 10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.454 12.891 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.555 13.299 12.115 1.00 0.00 H new ATOM 1413 N GLN A 90 -3.974 15.212 11.465 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.674 16.482 11.259 1.00 0.00 C ATOM 1415 C GLN A 90 -5.456 16.486 9.957 1.00 0.00 C ATOM 1416 O GLN A 90 -6.357 17.303 9.757 1.00 0.00 O ATOM 1417 CB GLN A 90 -3.661 17.627 11.234 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.691 17.575 10.062 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.630 18.641 10.121 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -1.841 19.727 10.653 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -0.488 18.342 9.587 1.00 0.00 N ATOM 0 H GLN A 90 -3.125 15.105 10.910 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.377 16.612 12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.200 18.574 11.203 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.092 17.614 12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.212 16.596 10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.250 17.679 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.351 17.429 9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.274 19.020 9.600 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.122 15.577 9.100 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.684 15.545 7.788 1.00 0.00 C ATOM 1432 C GLY A 91 -4.576 15.478 6.799 1.00 0.00 C ATOM 1433 O GLY A 91 -4.133 14.402 6.467 1.00 0.00 O ATOM 0 H GLY A 91 -4.450 14.833 9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.341 14.682 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.292 16.433 7.615 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.132 16.629 6.303 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.956 16.694 5.458 1.00 0.00 C ATOM 1439 C GLY A 92 -3.121 16.149 4.062 1.00 0.00 C ATOM 1440 O GLY A 92 -2.574 16.707 3.161 1.00 0.00 O ATOM 0 H GLY A 92 -4.575 17.531 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.640 17.735 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.149 16.149 5.948 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.872 15.077 3.888 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.091 14.420 2.583 1.00 0.00 C ATOM 1446 C GLN A 93 -4.499 15.399 1.478 1.00 0.00 C ATOM 1447 O GLN A 93 -4.239 15.165 0.305 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.123 13.313 2.713 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.660 12.128 3.539 1.00 0.00 C ATOM 1450 CD GLN A 93 -5.747 11.096 3.698 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.847 10.198 2.755 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -6.520 11.136 4.657 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.363 14.619 4.656 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.133 13.993 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.027 13.725 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.393 12.964 1.716 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.792 11.671 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.340 12.473 4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.408 11.854 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.272 10.451 4.735 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.130 16.482 1.857 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.485 17.532 0.929 1.00 0.00 C ATOM 1463 C GLN A 94 -4.212 18.237 0.395 1.00 0.00 C ATOM 1464 O GLN A 94 -4.071 18.451 -0.809 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.398 18.547 1.623 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.754 19.174 2.852 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.619 20.188 3.569 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.410 20.925 2.849 1.00 0.00 O flip ATOM 1469 NE2 GLN A 94 -6.523 20.337 4.776 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.414 16.663 2.820 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.015 17.092 0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.664 19.333 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.325 18.055 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.490 18.381 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.824 19.657 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.893 19.743 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.073 21.056 5.246 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.284 18.546 1.299 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.082 19.283 0.974 1.00 0.00 C ATOM 1480 C GLN A 95 -0.979 18.348 0.494 1.00 0.00 C ATOM 1481 O GLN A 95 -0.277 18.629 -0.459 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.604 20.126 2.168 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.122 19.362 3.364 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.574 20.257 4.444 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.292 20.691 5.341 1.00 0.00 O ATOM 1486 NE2 GLN A 95 0.691 20.553 4.358 1.00 0.00 N ATOM 0 H GLN A 95 -3.353 18.286 2.283 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.324 19.966 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.798 20.776 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.424 20.773 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.945 18.773 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.349 18.659 3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.253 20.172 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.120 21.166 5.051 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.861 17.243 1.185 1.00 0.00 N ATOM 1496 CA VAL A 96 0.109 16.184 0.917 1.00 0.00 C ATOM 1497 C VAL A 96 -0.140 15.516 -0.436 1.00 0.00 C ATOM 1498 O VAL A 96 0.787 14.966 -1.026 1.00 0.00 O ATOM 1499 CB VAL A 96 0.107 15.121 2.077 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.063 13.974 1.821 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.443 15.777 3.402 1.00 0.00 C ATOM 0 H VAL A 96 -1.458 17.037 1.986 1.00 0.00 H new ATOM 0 HA VAL A 96 1.095 16.646 0.874 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.900 14.707 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.020 13.272 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.780 13.463 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.078 14.361 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.437 15.026 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.432 16.232 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.297 16.545 3.626 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.379 15.607 -0.942 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.765 14.952 -2.224 1.00 0.00 C ATOM 1513 C GLN A 97 -0.757 15.221 -3.363 1.00 0.00 C ATOM 1514 O GLN A 97 -0.339 14.298 -4.065 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.158 15.377 -2.664 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.626 14.683 -3.934 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.027 15.055 -4.334 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.496 16.159 -4.070 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.703 14.150 -4.976 1.00 0.00 N ATOM 0 H GLN A 97 -2.136 16.123 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.760 13.880 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.865 15.166 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.168 16.455 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.945 14.932 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.571 13.604 -3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.279 13.244 -5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.657 14.345 -5.279 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.339 16.471 -3.496 1.00 0.00 N ATOM 1529 CA GLN A 98 0.620 16.889 -4.532 1.00 0.00 C ATOM 1530 C GLN A 98 1.978 16.179 -4.392 1.00 0.00 C ATOM 1531 O GLN A 98 2.739 16.085 -5.351 1.00 0.00 O ATOM 1532 CB GLN A 98 0.845 18.399 -4.458 1.00 0.00 C ATOM 1533 CG GLN A 98 1.363 18.848 -3.105 1.00 0.00 C ATOM 1534 CD GLN A 98 1.612 20.325 -2.992 1.00 0.00 C ATOM 1535 OE1 GLN A 98 1.969 21.004 -3.962 1.00 0.00 O ATOM 1536 NE2 GLN A 98 1.414 20.840 -1.818 1.00 0.00 N ATOM 0 H GLN A 98 -0.650 17.232 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 98 0.188 16.612 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.555 18.695 -5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.092 18.913 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.645 18.554 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.292 18.318 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.120 20.245 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.553 21.840 -1.670 1.00 0.00 H new ATOM 1545 N MET A 99 2.275 15.685 -3.218 1.00 0.00 N ATOM 1546 CA MET A 99 3.562 15.082 -2.970 1.00 0.00 C ATOM 1547 C MET A 99 3.441 13.598 -3.034 1.00 0.00 C ATOM 1548 O MET A 99 4.244 12.938 -3.661 1.00 0.00 O ATOM 1549 CB MET A 99 4.082 15.493 -1.615 1.00 0.00 C ATOM 1550 CG MET A 99 5.576 15.711 -1.567 1.00 0.00 C ATOM 1551 SD MET A 99 6.131 17.003 -2.703 1.00 0.00 S ATOM 1552 CE MET A 99 7.885 17.042 -2.321 1.00 0.00 C ATOM 0 H MET A 99 1.644 15.688 -2.417 1.00 0.00 H new ATOM 0 HA MET A 99 4.263 15.423 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.582 16.412 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.814 14.727 -0.887 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.868 15.977 -0.551 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.083 14.777 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.376 17.793 -2.941 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.023 17.293 -1.269 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.323 16.064 -2.521 1.00 0.00 H new ATOM 1562 N VAL A 100 2.417 13.073 -2.413 1.00 0.00 N ATOM 1563 CA VAL A 100 2.188 11.640 -2.419 1.00 0.00 C ATOM 1564 C VAL A 100 1.881 11.121 -3.842 1.00 0.00 C ATOM 1565 O VAL A 100 2.143 9.970 -4.161 1.00 0.00 O ATOM 1566 CB VAL A 100 1.108 11.195 -1.383 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.206 11.882 -1.623 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.927 9.696 -1.394 1.00 0.00 C ATOM 0 H VAL A 100 1.724 13.612 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 100 3.119 11.174 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 100 1.467 11.492 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.932 11.547 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.073 12.961 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.567 11.638 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.169 9.416 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.610 9.375 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.871 9.214 -1.141 1.00 0.00 H new ATOM 1578 N LYS A 101 1.387 11.994 -4.715 1.00 0.00 N ATOM 1579 CA LYS A 101 1.134 11.608 -6.097 1.00 0.00 C ATOM 1580 C LYS A 101 2.449 11.249 -6.807 1.00 0.00 C ATOM 1581 O LYS A 101 2.456 10.493 -7.769 1.00 0.00 O ATOM 1582 CB LYS A 101 0.330 12.696 -6.853 1.00 0.00 C ATOM 1583 CG LYS A 101 1.075 13.980 -7.244 1.00 0.00 C ATOM 1584 CD LYS A 101 1.847 13.817 -8.562 1.00 0.00 C ATOM 1585 CE LYS A 101 2.503 15.108 -9.018 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.240 14.931 -10.296 1.00 0.00 N ATOM 0 H LYS A 101 1.157 12.962 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 101 0.511 10.713 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.070 12.248 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.522 12.976 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.362 14.798 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.768 14.254 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.611 13.049 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.165 13.467 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.742 15.879 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.190 15.458 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.875 15.741 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.800 14.055 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.562 14.872 -11.082 1.00 0.00 H new ATOM 1600 N LYS A 102 3.572 11.783 -6.298 1.00 0.00 N ATOM 1601 CA LYS A 102 4.888 11.458 -6.826 1.00 0.00 C ATOM 1602 C LYS A 102 5.169 9.984 -6.623 1.00 0.00 C ATOM 1603 O LYS A 102 5.857 9.376 -7.412 1.00 0.00 O ATOM 1604 CB LYS A 102 5.958 12.278 -6.130 1.00 0.00 C ATOM 1605 CG LYS A 102 5.874 13.772 -6.391 1.00 0.00 C ATOM 1606 CD LYS A 102 6.679 14.547 -5.361 1.00 0.00 C ATOM 1607 CE LYS A 102 8.161 14.204 -5.367 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.864 14.722 -6.567 1.00 0.00 N ATOM 0 H LYS A 102 3.584 12.442 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 102 4.903 11.691 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.890 12.105 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.937 11.920 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.247 13.992 -7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.833 14.093 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.560 15.614 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.272 14.349 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.628 14.614 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.279 13.121 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.869 14.460 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.439 14.311 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.777 15.758 -6.600 1.00 0.00 H new ATOM 1622 N ALA A 103 4.587 9.405 -5.574 1.00 0.00 N ATOM 1623 CA ALA A 103 4.742 7.971 -5.299 1.00 0.00 C ATOM 1624 C ALA A 103 4.131 7.152 -6.420 1.00 0.00 C ATOM 1625 O ALA A 103 4.609 6.093 -6.754 1.00 0.00 O ATOM 1626 CB ALA A 103 4.117 7.587 -3.972 1.00 0.00 C ATOM 0 H ALA A 103 4.005 9.902 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 103 5.809 7.758 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.251 6.519 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.597 8.145 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.052 7.821 -3.990 1.00 0.00 H new ATOM 1632 N GLN A 104 3.114 7.694 -7.053 1.00 0.00 N ATOM 1633 CA GLN A 104 2.450 7.016 -8.155 1.00 0.00 C ATOM 1634 C GLN A 104 3.353 7.049 -9.396 1.00 0.00 C ATOM 1635 O GLN A 104 3.169 6.296 -10.352 1.00 0.00 O ATOM 1636 CB GLN A 104 1.126 7.696 -8.468 1.00 0.00 C ATOM 1637 CG GLN A 104 0.158 7.776 -7.294 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.121 8.482 -7.677 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.541 8.442 -8.834 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -1.751 9.127 -6.735 1.00 0.00 N ATOM 0 H GLN A 104 2.724 8.608 -6.825 1.00 0.00 H new ATOM 0 HA GLN A 104 2.257 5.981 -7.871 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.327 8.706 -8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.642 7.160 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.072 6.770 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.632 8.303 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.375 9.140 -5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.619 9.619 -6.946 1.00 0.00 H new ATOM 1649 N MET A 105 4.321 7.931 -9.366 1.00 0.00 N ATOM 1650 CA MET A 105 5.272 8.094 -10.453 1.00 0.00 C ATOM 1651 C MET A 105 6.484 7.225 -10.193 1.00 0.00 C ATOM 1652 O MET A 105 7.222 6.878 -11.109 1.00 0.00 O ATOM 1653 CB MET A 105 5.724 9.532 -10.534 1.00 0.00 C ATOM 1654 CG MET A 105 4.580 10.535 -10.533 1.00 0.00 C ATOM 1655 SD MET A 105 5.120 12.270 -10.532 1.00 0.00 S ATOM 1656 CE MET A 105 6.128 12.326 -12.016 1.00 0.00 C ATOM 0 H MET A 105 4.478 8.565 -8.582 1.00 0.00 H new ATOM 0 HA MET A 105 4.791 7.806 -11.388 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.382 9.744 -9.691 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.313 9.668 -11.441 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.956 10.360 -11.409 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.956 10.359 -9.657 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.005 13.293 -12.503 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.176 12.185 -11.750 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.817 11.534 -12.697 1.00 0.00 H new ATOM 1666 N LEU A 106 6.663 6.855 -8.930 1.00 0.00 N ATOM 1667 CA LEU A 106 7.794 6.039 -8.473 1.00 0.00 C ATOM 1668 C LEU A 106 7.984 4.748 -9.270 1.00 0.00 C ATOM 1669 O LEU A 106 9.115 4.448 -9.653 1.00 0.00 O ATOM 1670 CB LEU A 106 7.741 5.762 -6.963 1.00 0.00 C ATOM 1671 CG LEU A 106 8.635 6.631 -6.063 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.438 8.119 -6.308 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.393 6.301 -4.604 1.00 0.00 C ATOM 0 H LEU A 106 6.021 7.114 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 106 8.677 6.647 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.709 5.881 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.009 4.718 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 106 9.669 6.399 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.093 8.686 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.679 8.352 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.400 8.386 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.033 6.924 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.349 6.491 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.623 5.251 -4.425 1.00 0.00 H new ATOM 1685 N PRO A 107 6.911 3.952 -9.568 1.00 0.00 N ATOM 1686 CA PRO A 107 7.061 2.769 -10.394 1.00 0.00 C ATOM 1687 C PRO A 107 7.596 3.083 -11.787 1.00 0.00 C ATOM 1688 O PRO A 107 8.192 2.225 -12.424 1.00 0.00 O ATOM 1689 CB PRO A 107 5.666 2.151 -10.457 1.00 0.00 C ATOM 1690 CG PRO A 107 4.738 3.213 -10.004 1.00 0.00 C ATOM 1691 CD PRO A 107 5.518 4.081 -9.073 1.00 0.00 C ATOM 0 HA PRO A 107 7.797 2.087 -9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.426 1.827 -11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.598 1.272 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.363 3.789 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.871 2.784 -9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.174 5.115 -9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.426 3.746 -8.040 1.00 0.00 H new ATOM 1699 N ASN A 108 7.431 4.307 -12.243 1.00 0.00 N ATOM 1700 CA ASN A 108 7.923 4.673 -13.514 1.00 0.00 C ATOM 1701 C ASN A 108 9.342 5.180 -13.392 1.00 0.00 C ATOM 1702 O ASN A 108 10.231 4.756 -14.121 1.00 0.00 O ATOM 1703 CB ASN A 108 7.039 5.730 -14.125 1.00 0.00 C ATOM 1704 CG ASN A 108 5.645 5.238 -14.458 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.426 4.059 -14.699 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.708 6.139 -14.491 1.00 0.00 N ATOM 0 H ASN A 108 6.956 5.053 -11.735 1.00 0.00 H new ATOM 0 HA ASN A 108 7.919 3.797 -14.163 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.963 6.571 -13.436 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.510 6.104 -15.034 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.752 5.872 -14.724 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.929 7.113 -14.284 1.00 0.00 H new ATOM 1713 N GLN A 109 9.562 6.040 -12.409 1.00 0.00 N ATOM 1714 CA GLN A 109 10.862 6.682 -12.200 1.00 0.00 C ATOM 1715 C GLN A 109 11.923 5.683 -11.746 1.00 0.00 C ATOM 1716 O GLN A 109 13.064 5.744 -12.174 1.00 0.00 O ATOM 1717 CB GLN A 109 10.757 7.823 -11.184 1.00 0.00 C ATOM 1718 CG GLN A 109 9.752 8.906 -11.557 1.00 0.00 C ATOM 1719 CD GLN A 109 9.742 10.083 -10.591 1.00 0.00 C ATOM 1720 OE1 GLN A 109 8.714 10.688 -10.360 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.890 10.463 -10.079 1.00 0.00 N ATOM 0 H GLN A 109 8.850 6.316 -11.733 1.00 0.00 H new ATOM 0 HA GLN A 109 11.169 7.091 -13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.481 7.407 -10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.739 8.281 -11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.978 9.270 -12.559 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.755 8.468 -11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.740 9.939 -10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.932 11.282 -9.473 1.00 0.00 H new ATOM 1730 N CYS A 110 11.535 4.758 -10.898 1.00 0.00 N ATOM 1731 CA CYS A 110 12.461 3.758 -10.373 1.00 0.00 C ATOM 1732 C CYS A 110 12.509 2.566 -11.331 1.00 0.00 C ATOM 1733 O CYS A 110 13.323 1.656 -11.176 1.00 0.00 O ATOM 1734 CB CYS A 110 12.000 3.325 -8.969 1.00 0.00 C ATOM 1735 SG CYS A 110 13.197 2.347 -7.968 1.00 0.00 S ATOM 0 H CYS A 110 10.580 4.670 -10.550 1.00 0.00 H new ATOM 0 HA CYS A 110 13.464 4.176 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.738 4.221 -8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.088 2.738 -9.077 1.00 0.00 H new ATOM 1740 N ASN A 111 11.626 2.618 -12.337 1.00 0.00 N ATOM 1741 CA ASN A 111 11.470 1.591 -13.369 1.00 0.00 C ATOM 1742 C ASN A 111 11.157 0.260 -12.732 1.00 0.00 C ATOM 1743 O ASN A 111 11.969 -0.659 -12.687 1.00 0.00 O ATOM 1744 CB ASN A 111 12.669 1.518 -14.335 1.00 0.00 C ATOM 1745 CG ASN A 111 12.395 0.652 -15.560 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.857 1.133 -16.559 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.778 -0.598 -15.518 1.00 0.00 N ATOM 0 H ASN A 111 10.982 3.400 -12.456 1.00 0.00 H new ATOM 0 HA ASN A 111 10.624 1.876 -13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.929 2.526 -14.660 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.534 1.122 -13.803 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.634 -1.203 -16.327 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.221 -0.968 -14.677 1.00 0.00 H new ATOM 1754 N LEU A 112 10.029 0.243 -12.113 1.00 0.00 N ATOM 1755 CA LEU A 112 9.503 -0.913 -11.427 1.00 0.00 C ATOM 1756 C LEU A 112 8.545 -1.661 -12.334 1.00 0.00 C ATOM 1757 O LEU A 112 8.060 -1.091 -13.310 1.00 0.00 O ATOM 1758 CB LEU A 112 8.831 -0.465 -10.128 1.00 0.00 C ATOM 1759 CG LEU A 112 9.725 0.426 -9.256 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.065 0.829 -7.945 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.055 -0.244 -9.014 1.00 0.00 C ATOM 0 H LEU A 112 9.416 1.056 -12.061 1.00 0.00 H new ATOM 0 HA LEU A 112 10.310 -1.599 -11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.916 0.076 -10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.540 -1.346 -9.556 1.00 0.00 H new ATOM 0 HG LEU A 112 9.889 1.351 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.747 1.458 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.149 1.382 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.826 -0.065 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.679 0.400 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.896 -1.195 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.552 -0.421 -9.968 1.00 0.00 H new ATOM 1773 N GLN A 113 8.299 -2.935 -12.043 1.00 0.00 N ATOM 1774 CA GLN A 113 7.420 -3.820 -12.872 1.00 0.00 C ATOM 1775 C GLN A 113 5.930 -3.460 -12.749 1.00 0.00 C ATOM 1776 O GLN A 113 5.048 -4.329 -12.829 1.00 0.00 O ATOM 1777 CB GLN A 113 7.613 -5.269 -12.458 1.00 0.00 C ATOM 1778 CG GLN A 113 9.050 -5.709 -12.444 1.00 0.00 C ATOM 1779 CD GLN A 113 9.204 -7.189 -12.169 1.00 0.00 C ATOM 1780 OE1 GLN A 113 8.384 -7.803 -11.482 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.248 -7.771 -12.685 1.00 0.00 N ATOM 0 H GLN A 113 8.695 -3.404 -11.228 1.00 0.00 H new ATOM 0 HA GLN A 113 7.713 -3.672 -13.912 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.189 -5.413 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.053 -5.910 -13.139 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.508 -5.472 -13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.591 -5.144 -11.685 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.906 -7.232 -13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.408 -8.766 -12.526 1.00 0.00 H new ATOM 1790 N CYS A 114 5.670 -2.209 -12.666 1.00 0.00 N ATOM 1791 CA CYS A 114 4.373 -1.671 -12.451 1.00 0.00 C ATOM 1792 C CYS A 114 4.388 -0.250 -12.972 1.00 0.00 C ATOM 1793 O CYS A 114 5.457 0.368 -13.029 1.00 0.00 O ATOM 1794 CB CYS A 114 4.110 -1.648 -10.954 1.00 0.00 C ATOM 1795 SG CYS A 114 3.837 -3.262 -10.128 1.00 0.00 S ATOM 0 H CYS A 114 6.391 -1.493 -12.750 1.00 0.00 H new ATOM 0 HA CYS A 114 3.605 -2.260 -12.952 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.955 -1.159 -10.470 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.235 -1.024 -10.774 1.00 0.00 H new ATOM 1800 N SER A 115 3.255 0.260 -13.348 1.00 0.00 N ATOM 1801 CA SER A 115 3.140 1.611 -13.821 1.00 0.00 C ATOM 1802 C SER A 115 1.759 2.141 -13.474 1.00 0.00 C ATOM 1803 O SER A 115 0.773 1.433 -13.624 1.00 0.00 O ATOM 1804 CB SER A 115 3.414 1.656 -15.332 1.00 0.00 C ATOM 1805 OG SER A 115 2.690 0.638 -16.021 1.00 0.00 O ATOM 0 H SER A 115 2.374 -0.253 -13.336 1.00 0.00 H new ATOM 0 HA SER A 115 3.879 2.250 -13.337 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.135 2.633 -15.725 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.482 1.532 -15.514 1.00 0.00 H new ATOM 0 HG SER A 115 2.882 0.692 -16.980 1.00 0.00 H new ATOM 1811 N ILE A 116 1.687 3.338 -12.953 1.00 0.00 N ATOM 1812 CA ILE A 116 0.407 3.891 -12.578 1.00 0.00 C ATOM 1813 C ILE A 116 -0.062 4.790 -13.696 1.00 0.00 C ATOM 1814 O ILE A 116 -0.863 4.343 -14.526 1.00 0.00 O ATOM 1815 CB ILE A 116 0.466 4.689 -11.239 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.085 3.838 -10.108 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.928 5.184 -10.836 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.353 2.550 -9.792 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.440 5.928 -13.799 1.00 0.00 O ATOM 0 H ILE A 116 2.488 3.945 -12.779 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.290 3.069 -12.417 1.00 0.00 H new ATOM 0 HB ILE A 116 1.107 5.556 -11.399 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.113 3.595 -10.379 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.129 4.443 -9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.861 5.737 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.322 5.836 -11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.594 4.331 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.867 2.028 -8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.668 2.778 -9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.332 1.917 -10.679 1.00 0.00 H new