USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 681 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 54 MET CE :methyl -155:sc= -1.4 (180deg=-2.6) USER MOD Set 1.2: A 77 MET CE :methyl 157:sc= -4.68! (180deg=-6.35!) USER MOD Set 2.1: A 64 MET CE :methyl -151:sc= -1.66 (180deg=-5.27!) USER MOD Set 2.2: A 65 GLN : amide:sc= -0.857 K(o=-2.5,f=-3.4) USER MOD Set 3.1: A 47 THR OG1 : rot 158:sc= 0.882 USER MOD Set 3.2: A 85 GLN : amide:sc= 0.682 K(o=1.6,f=-0.67) USER MOD Set 4.1: A 11 THR OG1 : rot -73:sc= 0.441 USER MOD Set 4.2: A 12 SER OG : rot 174:sc= 1.12 USER MOD Set 4.3: A 38 HIS :FLIP no HD1:sc= -0.688 F(o=-0.49,f=0.87) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0159 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 159:sc= -0.311 (180deg=-1.24) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0274) USER MOD Single : A 10 CYS SG : rot 80:sc= -2.3 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.77) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 27 SER OG : rot -40:sc= 0.0219 USER MOD Single : A 28 SER OG : rot 174:sc= 0.721 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00103 USER MOD Single : A 36 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.649 F(o=-1.4,f=-0.65) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.27 (180deg=-0.0601) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.5) USER MOD Single : A 56 SER OG : rot 102:sc= 0.713 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 74 CYS SG : rot 82:sc= 0.312 USER MOD Single : A 80 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0036) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.908 -17.101 -11.219 1.00 0.00 N ATOM 2 CA GLY A 1 -3.066 -18.134 -10.609 1.00 0.00 C ATOM 3 C GLY A 1 -3.600 -18.512 -9.247 1.00 0.00 C ATOM 4 O GLY A 1 -4.811 -18.637 -9.085 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.119 -17.362 -12.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.797 -17.017 -10.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.407 -16.190 -11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.036 -19.014 -11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.042 -17.771 -10.517 1.00 0.00 H new ATOM 8 N HIS A 2 -2.721 -18.738 -8.275 1.00 0.00 N ATOM 9 CA HIS A 2 -3.098 -18.939 -6.883 1.00 0.00 C ATOM 10 C HIS A 2 -1.974 -18.360 -6.029 1.00 0.00 C ATOM 11 O HIS A 2 -0.805 -18.476 -6.412 1.00 0.00 O ATOM 12 CB HIS A 2 -3.306 -20.432 -6.595 1.00 0.00 C ATOM 13 CG HIS A 2 -4.082 -20.674 -5.324 1.00 0.00 C ATOM 14 ND1 HIS A 2 -5.435 -20.919 -5.254 1.00 0.00 N ATOM 15 CD2 HIS A 2 -3.598 -20.638 -4.042 1.00 0.00 C ATOM 16 CE1 HIS A 2 -5.760 -21.028 -3.955 1.00 0.00 C ATOM 17 NE2 HIS A 2 -4.678 -20.841 -3.179 1.00 0.00 N ATOM 0 H HIS A 2 -1.715 -18.787 -8.436 1.00 0.00 H new ATOM 0 HA HIS A 2 -4.040 -18.440 -6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.834 -20.890 -7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.336 -20.923 -6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -2.570 -20.481 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -6.753 -21.237 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.651 -20.846 -2.159 1.00 0.00 H new ATOM 25 N SER A 3 -2.298 -17.755 -4.892 1.00 0.00 N ATOM 26 CA SER A 3 -1.357 -17.056 -4.027 1.00 0.00 C ATOM 27 C SER A 3 -1.556 -17.538 -2.584 1.00 0.00 C ATOM 28 O SER A 3 -2.683 -17.828 -2.185 1.00 0.00 O ATOM 29 CB SER A 3 -1.599 -15.547 -4.167 1.00 0.00 C ATOM 30 OG SER A 3 -1.574 -15.116 -5.526 1.00 0.00 O ATOM 0 H SER A 3 -3.254 -17.737 -4.536 1.00 0.00 H new ATOM 0 HA SER A 3 -0.325 -17.265 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.563 -15.294 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.839 -15.006 -3.603 1.00 0.00 H new ATOM 0 HG SER A 3 -1.734 -14.150 -5.566 1.00 0.00 H new ATOM 36 N LYS A 4 -0.477 -17.654 -1.802 1.00 0.00 N ATOM 37 CA LYS A 4 -0.481 -18.303 -0.481 1.00 0.00 C ATOM 38 C LYS A 4 -1.029 -17.424 0.653 1.00 0.00 C ATOM 39 O LYS A 4 -0.671 -17.670 1.803 1.00 0.00 O ATOM 40 CB LYS A 4 0.905 -18.937 -0.179 1.00 0.00 C ATOM 41 CG LYS A 4 2.148 -18.026 -0.086 1.00 0.00 C ATOM 42 CD LYS A 4 2.384 -17.334 1.261 1.00 0.00 C ATOM 43 CE LYS A 4 3.610 -16.409 1.268 1.00 0.00 C ATOM 44 NZ LYS A 4 4.906 -17.096 1.074 1.00 0.00 N ATOM 0 H LYS A 4 0.439 -17.295 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.204 -19.117 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.821 -19.474 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.101 -19.680 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.028 -18.624 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.068 -17.258 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.499 -16.753 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.507 -18.093 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.489 -15.663 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.637 -15.872 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.676 -16.397 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.049 -17.789 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.905 -17.586 0.157 1.00 0.00 H new ATOM 58 N MET A 5 -1.861 -16.419 0.362 1.00 0.00 N ATOM 59 CA MET A 5 -2.123 -15.231 1.186 1.00 0.00 C ATOM 60 C MET A 5 -0.961 -14.255 1.107 1.00 0.00 C ATOM 61 O MET A 5 0.011 -14.456 0.370 1.00 0.00 O ATOM 62 CB MET A 5 -2.595 -15.546 2.633 1.00 0.00 C ATOM 63 CG MET A 5 -1.492 -15.667 3.710 1.00 0.00 C ATOM 64 SD MET A 5 -1.752 -14.637 5.175 1.00 0.00 S ATOM 65 CE MET A 5 -0.059 -14.069 5.507 1.00 0.00 C ATOM 0 H MET A 5 -2.401 -16.411 -0.503 1.00 0.00 H new ATOM 0 HA MET A 5 -2.990 -14.731 0.755 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.289 -14.765 2.943 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.155 -16.481 2.613 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.421 -16.709 4.023 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.534 -15.403 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.091 -13.165 6.115 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.487 -14.846 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.444 -13.855 4.564 1.00 0.00 H new ATOM 75 N SER A 6 -1.122 -13.158 1.833 1.00 0.00 N ATOM 76 CA SER A 6 -0.243 -12.018 1.881 1.00 0.00 C ATOM 77 C SER A 6 -0.312 -11.428 3.281 1.00 0.00 C ATOM 78 O SER A 6 -1.203 -11.773 4.058 1.00 0.00 O ATOM 79 CB SER A 6 -0.668 -10.991 0.831 1.00 0.00 C ATOM 80 OG SER A 6 -1.935 -11.195 0.219 1.00 0.00 O ATOM 0 H SER A 6 -1.930 -13.042 2.444 1.00 0.00 H new ATOM 0 HA SER A 6 0.783 -12.313 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.670 -10.006 1.298 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.090 -10.971 0.048 1.00 0.00 H new ATOM 0 HG SER A 6 -2.103 -10.481 -0.431 1.00 0.00 H new ATOM 86 N ASP A 7 0.602 -10.521 3.605 1.00 0.00 N ATOM 87 CA ASP A 7 0.784 -9.975 4.944 1.00 0.00 C ATOM 88 C ASP A 7 -0.260 -8.874 5.206 1.00 0.00 C ATOM 89 O ASP A 7 0.035 -7.685 5.345 1.00 0.00 O ATOM 90 CB ASP A 7 2.255 -9.544 5.057 1.00 0.00 C ATOM 91 CG ASP A 7 2.682 -9.075 6.440 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.639 -9.905 7.374 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.125 -7.914 6.592 1.00 0.00 O ATOM 0 H ASP A 7 1.255 -10.134 2.924 1.00 0.00 H new ATOM 0 HA ASP A 7 0.603 -10.703 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.887 -10.382 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.438 -8.740 4.344 1.00 0.00 H new ATOM 98 N VAL A 8 -1.529 -9.277 5.190 1.00 0.00 N ATOM 99 CA VAL A 8 -2.723 -8.443 5.183 1.00 0.00 C ATOM 100 C VAL A 8 -3.296 -8.284 6.596 1.00 0.00 C ATOM 101 O VAL A 8 -4.410 -8.719 6.882 1.00 0.00 O ATOM 102 CB VAL A 8 -3.746 -8.971 4.135 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.790 -7.904 3.783 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.078 -9.396 2.813 1.00 0.00 C ATOM 0 H VAL A 8 -1.764 -10.270 5.181 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.459 -7.434 4.867 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.213 -9.836 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.488 -8.306 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.335 -7.617 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.290 -7.029 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.839 -9.756 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.563 -8.541 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.359 -10.192 3.008 1.00 0.00 H new ATOM 114 N LYS A 9 -2.563 -7.607 7.493 1.00 0.00 N ATOM 115 CA LYS A 9 -2.953 -7.489 8.910 1.00 0.00 C ATOM 116 C LYS A 9 -3.553 -6.141 9.260 1.00 0.00 C ATOM 117 O LYS A 9 -3.916 -5.908 10.413 1.00 0.00 O ATOM 118 CB LYS A 9 -1.820 -7.808 9.905 1.00 0.00 C ATOM 119 CG LYS A 9 -0.736 -8.727 9.352 1.00 0.00 C ATOM 120 CD LYS A 9 0.362 -7.930 8.652 1.00 0.00 C ATOM 121 CE LYS A 9 1.667 -7.792 9.443 1.00 0.00 C ATOM 122 NZ LYS A 9 1.479 -7.331 10.837 1.00 0.00 N ATOM 0 H LYS A 9 -1.692 -7.130 7.262 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.721 -8.255 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.359 -6.873 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.252 -8.269 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.303 -9.312 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.179 -9.434 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.583 -8.406 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.018 -6.933 8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.176 -8.756 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.322 -7.092 8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.406 -7.132 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.902 -6.465 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.996 -8.071 11.385 1.00 0.00 H new ATOM 136 N CYS A 10 -3.599 -5.244 8.281 1.00 0.00 N ATOM 137 CA CYS A 10 -3.967 -3.850 8.459 1.00 0.00 C ATOM 138 C CYS A 10 -3.206 -3.233 9.635 1.00 0.00 C ATOM 139 O CYS A 10 -3.769 -2.645 10.557 1.00 0.00 O ATOM 140 CB CYS A 10 -5.475 -3.741 8.583 1.00 0.00 C ATOM 141 SG CYS A 10 -6.239 -4.341 7.062 1.00 0.00 S ATOM 0 H CYS A 10 -3.374 -5.477 7.314 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.674 -3.268 7.585 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.825 -4.324 9.435 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.763 -2.706 8.765 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.271 -5.641 7.076 1.00 0.00 H new ATOM 147 N THR A 11 -1.895 -3.403 9.573 1.00 0.00 N ATOM 148 CA THR A 11 -0.892 -2.532 10.126 1.00 0.00 C ATOM 149 C THR A 11 -1.059 -1.144 9.482 1.00 0.00 C ATOM 150 O THR A 11 -1.727 -1.012 8.456 1.00 0.00 O ATOM 151 CB THR A 11 0.452 -3.211 9.778 1.00 0.00 C ATOM 152 OG1 THR A 11 1.554 -2.473 10.247 1.00 0.00 O ATOM 153 CG2 THR A 11 0.562 -3.515 8.278 1.00 0.00 C ATOM 0 H THR A 11 -1.485 -4.209 9.102 1.00 0.00 H new ATOM 0 HA THR A 11 -0.959 -2.382 11.204 1.00 0.00 H new ATOM 0 HB THR A 11 0.470 -4.167 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.671 -1.673 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.520 -3.992 8.073 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.247 -4.183 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.490 -2.586 7.712 1.00 0.00 H new ATOM 161 N SER A 12 -0.371 -0.163 10.050 1.00 0.00 N ATOM 162 CA SER A 12 -0.113 1.175 9.538 1.00 0.00 C ATOM 163 C SER A 12 -1.375 1.896 9.036 1.00 0.00 C ATOM 164 O SER A 12 -1.819 1.716 7.902 1.00 0.00 O ATOM 165 CB SER A 12 1.031 1.154 8.513 1.00 0.00 C ATOM 166 OG SER A 12 1.744 -0.076 8.436 1.00 0.00 O ATOM 0 H SER A 12 0.060 -0.297 10.965 1.00 0.00 H new ATOM 0 HA SER A 12 0.219 1.783 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.622 1.382 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.734 1.950 8.758 1.00 0.00 H new ATOM 0 HG SER A 12 2.389 -0.034 7.700 1.00 0.00 H new ATOM 172 N VAL A 13 -1.966 2.757 9.865 1.00 0.00 N ATOM 173 CA VAL A 13 -3.209 3.455 9.517 1.00 0.00 C ATOM 174 C VAL A 13 -3.148 4.244 8.208 1.00 0.00 C ATOM 175 O VAL A 13 -4.195 4.549 7.644 1.00 0.00 O ATOM 176 CB VAL A 13 -3.659 4.389 10.645 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.152 3.543 11.814 1.00 0.00 C ATOM 178 CG2 VAL A 13 -2.572 5.391 11.055 1.00 0.00 C ATOM 0 H VAL A 13 -1.603 2.990 10.789 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.937 2.657 9.373 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.481 5.008 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.476 4.196 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.990 2.926 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.344 2.902 12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.947 6.026 11.857 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.691 4.851 11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.305 6.009 10.198 1.00 0.00 H new ATOM 188 N VAL A 14 -1.959 4.563 7.701 1.00 0.00 N ATOM 189 CA VAL A 14 -1.801 5.437 6.548 1.00 0.00 C ATOM 190 C VAL A 14 -2.419 4.806 5.294 1.00 0.00 C ATOM 191 O VAL A 14 -2.901 5.541 4.440 1.00 0.00 O ATOM 192 CB VAL A 14 -0.321 5.829 6.363 1.00 0.00 C ATOM 193 CG1 VAL A 14 -0.183 7.072 5.470 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.344 6.159 7.706 1.00 0.00 C ATOM 0 H VAL A 14 -1.077 4.220 8.082 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.349 6.363 6.726 1.00 0.00 H new ATOM 0 HB VAL A 14 0.166 4.970 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.871 7.324 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.613 6.865 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.710 7.909 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.386 6.431 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.178 6.993 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.297 5.288 8.359 1.00 0.00 H new ATOM 204 N LEU A 15 -2.497 3.471 5.187 1.00 0.00 N ATOM 205 CA LEU A 15 -3.192 2.831 4.059 1.00 0.00 C ATOM 206 C LEU A 15 -4.685 2.898 4.301 1.00 0.00 C ATOM 207 O LEU A 15 -5.508 3.227 3.451 1.00 0.00 O ATOM 208 CB LEU A 15 -2.852 1.330 3.904 1.00 0.00 C ATOM 209 CG LEU A 15 -1.382 0.907 3.848 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.603 1.927 3.039 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.736 0.770 5.224 1.00 0.00 C ATOM 0 H LEU A 15 -2.092 2.819 5.859 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.873 3.364 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.316 0.799 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.332 0.976 2.992 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.355 -0.079 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.445 1.632 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.009 1.977 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.685 2.906 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.305 0.468 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.781 1.727 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.270 0.017 5.803 1.00 0.00 H new ATOM 223 N LEU A 16 -5.016 2.470 5.504 1.00 0.00 N ATOM 224 CA LEU A 16 -6.320 2.117 5.992 1.00 0.00 C ATOM 225 C LEU A 16 -7.223 3.333 5.996 1.00 0.00 C ATOM 226 O LEU A 16 -8.402 3.234 5.660 1.00 0.00 O ATOM 227 CB LEU A 16 -6.046 1.594 7.402 1.00 0.00 C ATOM 228 CG LEU A 16 -5.757 0.087 7.384 1.00 0.00 C ATOM 229 CD1 LEU A 16 -4.796 -0.255 8.524 1.00 0.00 C ATOM 230 CD2 LEU A 16 -7.089 -0.662 7.403 1.00 0.00 C ATOM 0 H LEU A 16 -4.306 2.352 6.227 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.834 1.377 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.197 2.125 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.905 1.795 8.042 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.247 -0.230 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.588 -1.325 8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.865 0.297 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.250 0.019 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.903 -1.736 7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.641 -0.400 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.675 -0.385 6.526 1.00 0.00 H new ATOM 242 N SER A 17 -6.681 4.478 6.393 1.00 0.00 N ATOM 243 CA SER A 17 -7.354 5.761 6.387 1.00 0.00 C ATOM 244 C SER A 17 -7.787 6.099 4.951 1.00 0.00 C ATOM 245 O SER A 17 -8.942 6.452 4.726 1.00 0.00 O ATOM 246 CB SER A 17 -6.427 6.803 7.038 1.00 0.00 C ATOM 247 OG SER A 17 -7.157 7.957 7.396 1.00 0.00 O ATOM 0 H SER A 17 -5.724 4.535 6.740 1.00 0.00 H new ATOM 0 HA SER A 17 -8.270 5.748 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.954 6.376 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.628 7.071 6.346 1.00 0.00 H new ATOM 0 HG SER A 17 -6.555 8.610 7.810 1.00 0.00 H new ATOM 253 N VAL A 18 -6.922 5.888 3.955 1.00 0.00 N ATOM 254 CA VAL A 18 -7.205 6.148 2.542 1.00 0.00 C ATOM 255 C VAL A 18 -8.292 5.206 2.003 1.00 0.00 C ATOM 256 O VAL A 18 -8.899 5.501 0.981 1.00 0.00 O ATOM 257 CB VAL A 18 -5.893 6.035 1.729 1.00 0.00 C ATOM 258 CG1 VAL A 18 -6.033 6.475 0.270 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.796 6.948 2.301 1.00 0.00 C ATOM 0 H VAL A 18 -5.983 5.523 4.113 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.596 7.160 2.438 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.642 4.976 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.074 6.368 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.777 5.853 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.348 7.518 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.889 6.843 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.133 7.984 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.588 6.664 3.333 1.00 0.00 H new ATOM 269 N LEU A 19 -8.595 4.085 2.664 1.00 0.00 N ATOM 270 CA LEU A 19 -9.620 3.152 2.214 1.00 0.00 C ATOM 271 C LEU A 19 -10.945 3.477 2.894 1.00 0.00 C ATOM 272 O LEU A 19 -11.971 3.601 2.216 1.00 0.00 O ATOM 273 CB LEU A 19 -9.140 1.722 2.498 1.00 0.00 C ATOM 274 CG LEU A 19 -8.118 1.139 1.494 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.428 2.077 0.493 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.083 0.304 2.234 1.00 0.00 C ATOM 0 H LEU A 19 -8.132 3.803 3.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.788 3.241 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.695 1.700 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.010 1.066 2.523 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.754 0.544 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.745 1.502 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.180 2.556 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.869 2.840 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.367 -0.103 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.560 0.930 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.581 -0.514 2.756 1.00 0.00 H new ATOM 288 N GLN A 20 -10.924 3.640 4.220 1.00 0.00 N ATOM 289 CA GLN A 20 -12.106 3.998 4.992 1.00 0.00 C ATOM 290 C GLN A 20 -12.582 5.421 4.681 1.00 0.00 C ATOM 291 O GLN A 20 -13.760 5.707 4.884 1.00 0.00 O ATOM 292 CB GLN A 20 -11.851 3.764 6.485 1.00 0.00 C ATOM 293 CG GLN A 20 -11.005 4.823 7.189 1.00 0.00 C ATOM 294 CD GLN A 20 -10.426 4.248 8.478 1.00 0.00 C ATOM 295 OE1 GLN A 20 -9.279 3.604 8.391 1.00 0.00 O flip ATOM 296 NE2 GLN A 20 -11.024 4.294 9.550 1.00 0.00 N flip ATOM 0 H GLN A 20 -10.082 3.526 4.785 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.927 3.346 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.813 3.698 6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.362 2.797 6.604 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.199 5.153 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.614 5.699 7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.911 4.792 9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.633 3.834 10.372 1.00 0.00 H new ATOM 305 N GLN A 21 -11.722 6.269 4.099 1.00 0.00 N ATOM 306 CA GLN A 21 -12.063 7.592 3.592 1.00 0.00 C ATOM 307 C GLN A 21 -13.272 7.527 2.663 1.00 0.00 C ATOM 308 O GLN A 21 -14.010 8.512 2.586 1.00 0.00 O ATOM 309 CB GLN A 21 -10.867 8.210 2.826 1.00 0.00 C ATOM 310 CG GLN A 21 -10.229 9.379 3.573 1.00 0.00 C ATOM 311 CD GLN A 21 -8.952 9.933 2.923 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.594 9.676 1.773 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.231 10.742 3.678 1.00 0.00 N ATOM 0 H GLN A 21 -10.737 6.038 3.967 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.306 8.219 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.115 7.440 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.205 8.551 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.959 10.184 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.995 9.060 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.530 10.953 4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.375 11.156 3.309 1.00 0.00 H new ATOM 322 N LEU A 22 -13.464 6.411 1.944 1.00 0.00 N ATOM 323 CA LEU A 22 -14.374 6.375 0.816 1.00 0.00 C ATOM 324 C LEU A 22 -15.522 5.431 1.142 1.00 0.00 C ATOM 325 O LEU A 22 -16.500 5.887 1.726 1.00 0.00 O ATOM 326 CB LEU A 22 -13.629 6.007 -0.484 1.00 0.00 C ATOM 327 CG LEU A 22 -12.557 7.017 -0.937 1.00 0.00 C ATOM 328 CD1 LEU A 22 -13.019 8.467 -0.934 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.212 6.843 -0.224 1.00 0.00 C ATOM 0 H LEU A 22 -12.995 5.525 2.133 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.796 7.364 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.155 5.035 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.361 5.896 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.390 6.764 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.203 9.109 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.867 8.580 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.318 8.752 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.506 7.587 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.350 6.974 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.822 5.844 -0.421 1.00 0.00 H new ATOM 341 N ARG A 23 -15.370 4.128 0.868 1.00 0.00 N ATOM 342 CA ARG A 23 -16.284 3.027 1.196 1.00 0.00 C ATOM 343 C ARG A 23 -15.690 1.693 0.723 1.00 0.00 C ATOM 344 O ARG A 23 -16.378 0.880 0.111 1.00 0.00 O ATOM 345 CB ARG A 23 -17.732 3.252 0.691 1.00 0.00 C ATOM 346 CG ARG A 23 -18.019 3.216 -0.814 1.00 0.00 C ATOM 347 CD ARG A 23 -17.311 4.299 -1.617 1.00 0.00 C ATOM 348 NE ARG A 23 -18.058 4.570 -2.857 1.00 0.00 N ATOM 349 CZ ARG A 23 -18.020 3.856 -3.989 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.076 2.937 -4.184 1.00 0.00 N ATOM 351 NH2 ARG A 23 -18.936 4.065 -4.923 1.00 0.00 N ATOM 0 H ARG A 23 -14.543 3.792 0.374 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.379 2.994 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.363 2.499 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.061 4.222 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.725 2.241 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.094 3.311 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.230 5.210 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.296 3.983 -1.855 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.668 5.387 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.371 2.770 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.058 2.400 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.663 4.765 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.914 3.525 -5.788 1.00 0.00 H new ATOM 365 N VAL A 24 -14.375 1.517 0.872 1.00 0.00 N ATOM 366 CA VAL A 24 -13.689 0.344 0.332 1.00 0.00 C ATOM 367 C VAL A 24 -14.332 -0.933 0.837 1.00 0.00 C ATOM 368 O VAL A 24 -14.496 -1.117 2.040 1.00 0.00 O ATOM 369 CB VAL A 24 -12.197 0.342 0.678 1.00 0.00 C ATOM 370 CG1 VAL A 24 -11.504 -1.010 0.421 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.524 1.362 -0.222 1.00 0.00 C ATOM 0 H VAL A 24 -13.766 2.172 1.362 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.784 0.392 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.110 0.562 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.450 -0.935 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.978 -1.783 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.593 -1.270 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.456 1.390 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.675 1.083 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.957 2.346 -0.043 1.00 0.00 H new ATOM 381 N GLU A 25 -14.570 -1.833 -0.108 1.00 0.00 N ATOM 382 CA GLU A 25 -14.911 -3.217 0.116 1.00 0.00 C ATOM 383 C GLU A 25 -13.734 -3.892 0.822 1.00 0.00 C ATOM 384 O GLU A 25 -12.779 -4.347 0.187 1.00 0.00 O ATOM 385 CB GLU A 25 -15.225 -3.911 -1.216 1.00 0.00 C ATOM 386 CG GLU A 25 -15.848 -3.006 -2.277 1.00 0.00 C ATOM 387 CD GLU A 25 -16.349 -3.867 -3.425 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.497 -4.375 -4.197 1.00 0.00 O ATOM 389 OE2 GLU A 25 -17.589 -4.029 -3.530 1.00 0.00 O ATOM 0 H GLU A 25 -14.526 -1.597 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.802 -3.290 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.303 -4.335 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.902 -4.744 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.670 -2.433 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.113 -2.287 -2.638 1.00 0.00 H new ATOM 396 N SER A 26 -13.787 -3.953 2.146 1.00 0.00 N ATOM 397 CA SER A 26 -12.808 -4.648 2.967 1.00 0.00 C ATOM 398 C SER A 26 -12.850 -6.172 2.752 1.00 0.00 C ATOM 399 O SER A 26 -12.014 -6.902 3.286 1.00 0.00 O ATOM 400 CB SER A 26 -13.040 -4.224 4.419 1.00 0.00 C ATOM 401 OG SER A 26 -14.416 -4.290 4.764 1.00 0.00 O ATOM 0 H SER A 26 -14.528 -3.511 2.689 1.00 0.00 H new ATOM 0 HA SER A 26 -11.795 -4.369 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.465 -4.868 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.675 -3.208 4.566 1.00 0.00 H new ATOM 0 HG SER A 26 -14.533 -4.015 5.697 1.00 0.00 H new ATOM 407 N SER A 27 -13.806 -6.656 1.950 1.00 0.00 N ATOM 408 CA SER A 27 -13.937 -8.036 1.525 1.00 0.00 C ATOM 409 C SER A 27 -13.285 -8.290 0.154 1.00 0.00 C ATOM 410 O SER A 27 -13.334 -9.430 -0.303 1.00 0.00 O ATOM 411 CB SER A 27 -15.438 -8.362 1.502 1.00 0.00 C ATOM 412 OG SER A 27 -15.696 -9.750 1.587 1.00 0.00 O ATOM 0 H SER A 27 -14.539 -6.059 1.567 1.00 0.00 H new ATOM 0 HA SER A 27 -13.411 -8.689 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.929 -7.854 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.877 -7.970 0.584 1.00 0.00 H new ATOM 0 HG SER A 27 -15.039 -10.238 1.049 1.00 0.00 H new ATOM 418 N SER A 28 -12.716 -7.301 -0.543 1.00 0.00 N ATOM 419 CA SER A 28 -12.245 -7.471 -1.923 1.00 0.00 C ATOM 420 C SER A 28 -10.735 -7.267 -2.032 1.00 0.00 C ATOM 421 O SER A 28 -10.134 -6.628 -1.167 1.00 0.00 O ATOM 422 CB SER A 28 -12.971 -6.464 -2.816 1.00 0.00 C ATOM 423 OG SER A 28 -14.378 -6.666 -2.806 1.00 0.00 O ATOM 0 H SER A 28 -12.569 -6.363 -0.169 1.00 0.00 H new ATOM 0 HA SER A 28 -12.462 -8.490 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.747 -5.452 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.599 -6.550 -3.837 1.00 0.00 H new ATOM 0 HG SER A 28 -14.816 -5.944 -3.304 1.00 0.00 H new ATOM 429 N LYS A 29 -10.116 -7.719 -3.142 1.00 0.00 N ATOM 430 CA LYS A 29 -8.662 -7.580 -3.312 1.00 0.00 C ATOM 431 C LYS A 29 -8.218 -6.133 -3.213 1.00 0.00 C ATOM 432 O LYS A 29 -7.078 -5.871 -2.861 1.00 0.00 O ATOM 433 CB LYS A 29 -8.099 -8.219 -4.600 1.00 0.00 C ATOM 434 CG LYS A 29 -7.901 -7.293 -5.817 1.00 0.00 C ATOM 435 CD LYS A 29 -9.197 -6.914 -6.527 1.00 0.00 C ATOM 436 CE LYS A 29 -9.033 -5.476 -7.015 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.644 -5.249 -8.336 1.00 0.00 N ATOM 0 H LYS A 29 -10.594 -8.175 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.241 -8.146 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.137 -8.672 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.767 -9.028 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.399 -6.383 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.239 -7.784 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.389 -7.586 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.047 -6.997 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.483 -4.798 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.972 -5.232 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.503 -4.258 -8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.198 -5.875 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.663 -5.454 -8.287 1.00 0.00 H new ATOM 451 N LEU A 30 -9.093 -5.193 -3.566 1.00 0.00 N ATOM 452 CA LEU A 30 -8.762 -3.781 -3.573 1.00 0.00 C ATOM 453 C LEU A 30 -8.212 -3.349 -2.227 1.00 0.00 C ATOM 454 O LEU A 30 -7.158 -2.726 -2.160 1.00 0.00 O ATOM 455 CB LEU A 30 -10.000 -2.958 -3.968 1.00 0.00 C ATOM 456 CG LEU A 30 -9.703 -1.488 -4.271 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.446 -0.633 -3.016 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.619 -1.405 -5.354 1.00 0.00 C ATOM 0 H LEU A 30 -10.050 -5.395 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.982 -3.602 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.460 -3.413 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.731 -3.011 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.601 -1.023 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.243 0.396 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.325 -0.659 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.588 -1.031 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.404 -0.359 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.712 -1.896 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.970 -1.901 -6.259 1.00 0.00 H new ATOM 470 N TRP A 31 -8.907 -3.696 -1.155 1.00 0.00 N ATOM 471 CA TRP A 31 -8.448 -3.420 0.188 1.00 0.00 C ATOM 472 C TRP A 31 -7.022 -3.943 0.387 1.00 0.00 C ATOM 473 O TRP A 31 -6.145 -3.204 0.844 1.00 0.00 O ATOM 474 CB TRP A 31 -9.498 -4.030 1.110 1.00 0.00 C ATOM 475 CG TRP A 31 -9.127 -4.208 2.529 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.076 -3.247 3.476 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.796 -5.468 3.168 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.720 -3.843 4.678 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.578 -5.218 4.548 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.685 -6.799 2.711 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.292 -6.269 5.434 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.378 -7.849 3.593 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.186 -7.585 4.958 1.00 0.00 C ATOM 0 H TRP A 31 -9.805 -4.177 -1.197 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.362 -2.356 0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.389 -3.403 1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.776 -5.005 0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.277 -2.197 3.325 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.580 -3.333 5.550 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.839 -7.014 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.153 -6.064 6.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.290 -8.859 3.221 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.958 -8.391 5.639 1.00 0.00 H new ATOM 494 N ALA A 32 -6.746 -5.162 -0.073 1.00 0.00 N ATOM 495 CA ALA A 32 -5.425 -5.744 0.026 1.00 0.00 C ATOM 496 C ALA A 32 -4.414 -5.022 -0.866 1.00 0.00 C ATOM 497 O ALA A 32 -3.261 -4.916 -0.472 1.00 0.00 O ATOM 498 CB ALA A 32 -5.493 -7.224 -0.312 1.00 0.00 C ATOM 0 H ALA A 32 -7.435 -5.766 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.077 -5.627 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.497 -7.661 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.163 -7.726 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.868 -7.348 -1.328 1.00 0.00 H new ATOM 504 N GLN A 33 -4.808 -4.470 -2.017 1.00 0.00 N ATOM 505 CA GLN A 33 -3.913 -3.736 -2.914 1.00 0.00 C ATOM 506 C GLN A 33 -3.250 -2.552 -2.233 1.00 0.00 C ATOM 507 O GLN A 33 -2.224 -2.097 -2.719 1.00 0.00 O ATOM 508 CB GLN A 33 -4.650 -3.201 -4.143 1.00 0.00 C ATOM 509 CG GLN A 33 -5.027 -4.322 -5.097 1.00 0.00 C ATOM 510 CD GLN A 33 -3.883 -4.583 -6.064 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.086 -5.492 -5.857 1.00 0.00 O ATOM 512 NE2 GLN A 33 -3.776 -3.802 -7.120 1.00 0.00 N ATOM 0 H GLN A 33 -5.769 -4.521 -2.355 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.156 -4.461 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.549 -2.672 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.020 -2.478 -4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.255 -5.228 -4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.928 -4.054 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.451 -3.053 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.018 -3.947 -7.787 1.00 0.00 H new ATOM 521 N CYS A 34 -3.814 -2.047 -1.137 1.00 0.00 N ATOM 522 CA CYS A 34 -3.083 -1.133 -0.272 1.00 0.00 C ATOM 523 C CYS A 34 -2.382 -1.942 0.823 1.00 0.00 C ATOM 524 O CYS A 34 -1.161 -1.860 0.974 1.00 0.00 O ATOM 525 CB CYS A 34 -4.031 -0.049 0.260 1.00 0.00 C ATOM 526 SG CYS A 34 -3.266 1.591 0.100 1.00 0.00 S ATOM 0 H CYS A 34 -4.765 -2.255 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.305 -0.604 -0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.970 -0.075 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.270 -0.246 1.305 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.082 2.496 0.552 1.00 0.00 H new ATOM 532 N VAL A 35 -3.141 -2.738 1.581 1.00 0.00 N ATOM 533 CA VAL A 35 -2.656 -3.374 2.799 1.00 0.00 C ATOM 534 C VAL A 35 -1.439 -4.272 2.551 1.00 0.00 C ATOM 535 O VAL A 35 -0.404 -4.111 3.207 1.00 0.00 O ATOM 536 CB VAL A 35 -3.810 -4.104 3.521 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.327 -4.785 4.811 1.00 0.00 C ATOM 538 CG2 VAL A 35 -5.000 -3.193 3.871 1.00 0.00 C ATOM 0 H VAL A 35 -4.113 -2.957 1.362 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.296 -2.591 3.466 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.155 -4.848 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.165 -5.289 5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.555 -5.516 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.918 -4.035 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.769 -3.777 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.664 -2.391 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.411 -2.764 2.957 1.00 0.00 H new ATOM 548 N GLN A 36 -1.543 -5.233 1.639 1.00 0.00 N ATOM 549 CA GLN A 36 -0.469 -6.169 1.350 1.00 0.00 C ATOM 550 C GLN A 36 0.711 -5.492 0.657 1.00 0.00 C ATOM 551 O GLN A 36 1.799 -6.053 0.598 1.00 0.00 O ATOM 552 CB GLN A 36 -0.997 -7.313 0.478 1.00 0.00 C ATOM 553 CG GLN A 36 -1.200 -6.998 -1.011 1.00 0.00 C ATOM 554 CD GLN A 36 -0.169 -7.726 -1.876 1.00 0.00 C ATOM 555 OE1 GLN A 36 -0.378 -8.868 -2.276 1.00 0.00 O ATOM 556 NE2 GLN A 36 0.979 -7.121 -2.123 1.00 0.00 N ATOM 0 H GLN A 36 -2.381 -5.383 1.078 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.111 -6.562 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.305 -8.152 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.950 -7.645 0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.205 -7.292 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.120 -5.923 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.139 -6.172 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.706 -7.603 -2.652 1.00 0.00 H new ATOM 565 N LEU A 37 0.481 -4.342 0.032 1.00 0.00 N ATOM 566 CA LEU A 37 1.450 -3.729 -0.862 1.00 0.00 C ATOM 567 C LEU A 37 2.345 -2.769 -0.078 1.00 0.00 C ATOM 568 O LEU A 37 3.451 -2.467 -0.510 1.00 0.00 O ATOM 569 CB LEU A 37 0.694 -3.075 -2.021 1.00 0.00 C ATOM 570 CG LEU A 37 1.438 -3.206 -3.368 1.00 0.00 C ATOM 571 CD1 LEU A 37 0.482 -3.227 -4.566 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.504 -2.132 -3.570 1.00 0.00 C ATOM 0 H LEU A 37 -0.384 -3.810 0.133 1.00 0.00 H new ATOM 0 HA LEU A 37 2.122 -4.470 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.292 -3.531 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.538 -2.020 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 37 1.945 -4.170 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.056 -3.320 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.198 -4.074 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.093 -2.301 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.990 -2.279 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.038 -1.147 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.246 -2.202 -2.775 1.00 0.00 H new ATOM 584 N HIS A 38 1.912 -2.327 1.108 1.00 0.00 N ATOM 585 CA HIS A 38 2.729 -1.585 2.052 1.00 0.00 C ATOM 586 C HIS A 38 3.950 -2.387 2.493 1.00 0.00 C ATOM 587 O HIS A 38 5.080 -1.941 2.310 1.00 0.00 O ATOM 588 CB HIS A 38 1.857 -1.211 3.249 1.00 0.00 C ATOM 589 CG HIS A 38 2.614 -0.525 4.353 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.804 0.823 4.485 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.235 -1.146 5.413 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.562 1.030 5.645 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.796 -0.188 6.166 1.00 0.00 N flip ATOM 0 H HIS A 38 0.960 -2.483 1.438 1.00 0.00 H new ATOM 0 HA HIS A 38 3.108 -0.684 1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.052 -0.558 2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.391 -2.113 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.265 -2.209 5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.893 1.978 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.328 -0.360 7.019 1.00 0.00 H new ATOM 601 N ASN A 39 3.735 -3.565 3.093 1.00 0.00 N ATOM 602 CA ASN A 39 4.847 -4.376 3.590 1.00 0.00 C ATOM 603 C ASN A 39 5.806 -4.732 2.461 1.00 0.00 C ATOM 604 O ASN A 39 7.016 -4.772 2.676 1.00 0.00 O ATOM 605 CB ASN A 39 4.380 -5.653 4.295 1.00 0.00 C ATOM 606 CG ASN A 39 3.618 -6.588 3.375 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.306 -6.466 3.354 1.00 0.00 O flip ATOM 608 ND2 ASN A 39 4.182 -7.408 2.659 1.00 0.00 N flip ATOM 0 H ASN A 39 2.812 -3.972 3.244 1.00 0.00 H new ATOM 0 HA ASN A 39 5.365 -3.765 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.246 -6.176 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.745 -5.385 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.198 -7.493 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.635 -8.005 2.038 1.00 0.00 H new ATOM 615 N ASP A 40 5.283 -4.905 1.247 1.00 0.00 N ATOM 616 CA ASP A 40 6.049 -5.348 0.096 1.00 0.00 C ATOM 617 C ASP A 40 7.166 -4.374 -0.276 1.00 0.00 C ATOM 618 O ASP A 40 8.050 -4.782 -1.023 1.00 0.00 O ATOM 619 CB ASP A 40 5.133 -5.518 -1.132 1.00 0.00 C ATOM 620 CG ASP A 40 4.751 -6.946 -1.493 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.456 -7.902 -1.100 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.787 -7.102 -2.274 1.00 0.00 O ATOM 0 H ASP A 40 4.299 -4.737 1.039 1.00 0.00 H new ATOM 0 HA ASP A 40 6.496 -6.301 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.218 -4.952 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.627 -5.068 -1.993 1.00 0.00 H new ATOM 627 N ILE A 41 7.158 -3.125 0.208 1.00 0.00 N ATOM 628 CA ILE A 41 8.149 -2.116 -0.172 1.00 0.00 C ATOM 629 C ILE A 41 9.413 -2.455 0.619 1.00 0.00 C ATOM 630 O ILE A 41 10.535 -2.522 0.111 1.00 0.00 O ATOM 631 CB ILE A 41 7.603 -0.713 0.208 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.219 -0.429 -0.418 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.570 0.448 -0.082 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.126 -0.563 -1.935 1.00 0.00 C ATOM 0 H ILE A 41 6.463 -2.788 0.874 1.00 0.00 H new ATOM 0 HA ILE A 41 8.360 -2.109 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 41 7.494 -0.758 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.494 -1.108 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.920 0.583 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.107 1.389 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.492 0.303 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.797 0.475 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.109 -0.340 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.818 0.136 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.385 -1.581 -2.227 1.00 0.00 H new ATOM 646 N LEU A 42 9.203 -2.715 1.904 1.00 0.00 N ATOM 647 CA LEU A 42 10.241 -3.077 2.826 1.00 0.00 C ATOM 648 C LEU A 42 10.788 -4.462 2.497 1.00 0.00 C ATOM 649 O LEU A 42 11.979 -4.695 2.681 1.00 0.00 O ATOM 650 CB LEU A 42 9.654 -3.048 4.238 1.00 0.00 C ATOM 651 CG LEU A 42 8.988 -1.729 4.664 1.00 0.00 C ATOM 652 CD1 LEU A 42 9.819 -0.500 4.320 1.00 0.00 C ATOM 653 CD2 LEU A 42 7.521 -1.501 4.328 1.00 0.00 C ATOM 0 H LEU A 42 8.278 -2.675 2.332 1.00 0.00 H new ATOM 0 HA LEU A 42 11.069 -2.372 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.917 -3.847 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.451 -3.275 4.946 1.00 0.00 H new ATOM 0 HG LEU A 42 8.966 -1.877 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.294 0.397 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.783 -0.560 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.976 -0.457 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.210 -0.524 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.385 -1.539 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.916 -2.277 4.797 1.00 0.00 H new ATOM 665 N LEU A 43 9.947 -5.369 1.985 1.00 0.00 N ATOM 666 CA LEU A 43 10.339 -6.747 1.707 1.00 0.00 C ATOM 667 C LEU A 43 10.884 -6.884 0.280 1.00 0.00 C ATOM 668 O LEU A 43 11.190 -7.999 -0.143 1.00 0.00 O ATOM 669 CB LEU A 43 9.164 -7.727 1.925 1.00 0.00 C ATOM 670 CG LEU A 43 8.416 -7.715 3.282 1.00 0.00 C ATOM 671 CD1 LEU A 43 7.941 -9.129 3.627 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.199 -7.149 4.478 1.00 0.00 C ATOM 0 H LEU A 43 8.975 -5.163 1.753 1.00 0.00 H new ATOM 0 HA LEU A 43 11.130 -7.006 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.429 -7.538 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.544 -8.736 1.768 1.00 0.00 H new ATOM 0 HG LEU A 43 7.584 -7.028 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.416 -9.114 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.267 -9.487 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.801 -9.795 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.577 -7.191 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.101 -7.740 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.475 -6.114 4.276 1.00 0.00 H new ATOM 684 N ALA A 44 10.932 -5.793 -0.492 1.00 0.00 N ATOM 685 CA ALA A 44 11.372 -5.835 -1.877 1.00 0.00 C ATOM 686 C ALA A 44 12.897 -5.940 -1.980 1.00 0.00 C ATOM 687 O ALA A 44 13.633 -5.803 -0.998 1.00 0.00 O ATOM 688 CB ALA A 44 10.843 -4.627 -2.653 1.00 0.00 C ATOM 0 H ALA A 44 10.666 -4.863 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 44 10.956 -6.734 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.185 -4.680 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.753 -4.629 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.213 -3.710 -2.195 1.00 0.00 H new ATOM 694 N LYS A 45 13.365 -6.184 -3.205 1.00 0.00 N ATOM 695 CA LYS A 45 14.753 -6.493 -3.495 1.00 0.00 C ATOM 696 C LYS A 45 15.619 -5.250 -3.322 1.00 0.00 C ATOM 697 O LYS A 45 16.351 -5.145 -2.336 1.00 0.00 O ATOM 698 CB LYS A 45 14.879 -7.101 -4.899 1.00 0.00 C ATOM 699 CG LYS A 45 14.083 -8.404 -5.100 1.00 0.00 C ATOM 700 CD LYS A 45 12.847 -8.263 -6.002 1.00 0.00 C ATOM 701 CE LYS A 45 13.256 -7.897 -7.435 1.00 0.00 C ATOM 702 NZ LYS A 45 12.145 -8.024 -8.397 1.00 0.00 N ATOM 0 H LYS A 45 12.772 -6.170 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 45 15.114 -7.238 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.543 -6.367 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.931 -7.297 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.745 -9.157 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.766 -8.775 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.286 -9.198 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.184 -7.496 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.629 -6.873 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.078 -8.541 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.264 -7.326 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.145 -8.982 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.242 -7.854 -7.909 1.00 0.00 H new ATOM 716 N ASP A 46 15.535 -4.311 -4.263 1.00 0.00 N ATOM 717 CA ASP A 46 16.240 -3.038 -4.186 1.00 0.00 C ATOM 718 C ASP A 46 15.252 -1.956 -3.792 1.00 0.00 C ATOM 719 O ASP A 46 14.035 -2.134 -3.854 1.00 0.00 O ATOM 720 CB ASP A 46 16.846 -2.601 -5.525 1.00 0.00 C ATOM 721 CG ASP A 46 17.793 -3.617 -6.174 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.723 -4.097 -5.481 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.624 -3.901 -7.367 1.00 0.00 O ATOM 0 H ASP A 46 14.970 -4.416 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 46 17.044 -3.173 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.034 -2.388 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.388 -1.668 -5.373 1.00 0.00 H new ATOM 728 N THR A 47 15.781 -0.779 -3.491 1.00 0.00 N ATOM 729 CA THR A 47 15.022 0.435 -3.299 1.00 0.00 C ATOM 730 C THR A 47 14.231 0.825 -4.553 1.00 0.00 C ATOM 731 O THR A 47 13.049 1.150 -4.429 1.00 0.00 O ATOM 732 CB THR A 47 16.037 1.503 -2.904 1.00 0.00 C ATOM 733 OG1 THR A 47 16.672 1.083 -1.704 1.00 0.00 O ATOM 734 CG2 THR A 47 15.367 2.854 -2.713 1.00 0.00 C ATOM 0 H THR A 47 16.785 -0.645 -3.371 1.00 0.00 H new ATOM 0 HA THR A 47 14.266 0.307 -2.524 1.00 0.00 H new ATOM 0 HB THR A 47 16.774 1.622 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.540 1.531 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.116 3.595 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.888 3.157 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.617 2.780 -1.926 1.00 0.00 H new ATOM 742 N THR A 48 14.852 0.828 -5.737 1.00 0.00 N ATOM 743 CA THR A 48 14.164 1.235 -6.959 1.00 0.00 C ATOM 744 C THR A 48 12.942 0.325 -7.168 1.00 0.00 C ATOM 745 O THR A 48 11.833 0.795 -7.413 1.00 0.00 O ATOM 746 CB THR A 48 15.168 1.284 -8.136 1.00 0.00 C ATOM 747 OG1 THR A 48 14.593 1.852 -9.291 1.00 0.00 O ATOM 748 CG2 THR A 48 15.748 -0.076 -8.543 1.00 0.00 C ATOM 0 H THR A 48 15.825 0.554 -5.871 1.00 0.00 H new ATOM 0 HA THR A 48 13.771 2.249 -6.887 1.00 0.00 H new ATOM 0 HB THR A 48 15.979 1.900 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.256 1.868 -10.012 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.440 0.058 -9.374 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.277 -0.514 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.939 -0.740 -8.848 1.00 0.00 H new ATOM 756 N GLU A 49 13.115 -0.976 -6.936 1.00 0.00 N ATOM 757 CA GLU A 49 12.085 -1.977 -7.198 1.00 0.00 C ATOM 758 C GLU A 49 10.991 -1.944 -6.127 1.00 0.00 C ATOM 759 O GLU A 49 9.844 -2.309 -6.392 1.00 0.00 O ATOM 760 CB GLU A 49 12.768 -3.359 -7.199 1.00 0.00 C ATOM 761 CG GLU A 49 11.951 -4.450 -7.903 1.00 0.00 C ATOM 762 CD GLU A 49 12.319 -4.590 -9.383 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.487 -3.567 -10.075 1.00 0.00 O ATOM 764 OE2 GLU A 49 12.469 -5.739 -9.866 1.00 0.00 O ATOM 0 H GLU A 49 13.979 -1.366 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 49 11.611 -1.770 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.740 -3.274 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.953 -3.664 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.112 -5.403 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.889 -4.219 -7.815 1.00 0.00 H new ATOM 771 N ALA A 50 11.344 -1.513 -4.913 1.00 0.00 N ATOM 772 CA ALA A 50 10.423 -1.345 -3.810 1.00 0.00 C ATOM 773 C ALA A 50 9.389 -0.284 -4.160 1.00 0.00 C ATOM 774 O ALA A 50 8.197 -0.582 -4.212 1.00 0.00 O ATOM 775 CB ALA A 50 11.199 -0.976 -2.545 1.00 0.00 C ATOM 0 H ALA A 50 12.305 -1.268 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 50 9.895 -2.280 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.503 -0.850 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.907 -1.770 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.741 -0.044 -2.709 1.00 0.00 H new ATOM 781 N PHE A 51 9.812 0.964 -4.377 1.00 0.00 N ATOM 782 CA PHE A 51 8.841 2.023 -4.627 1.00 0.00 C ATOM 783 C PHE A 51 8.186 1.859 -6.005 1.00 0.00 C ATOM 784 O PHE A 51 7.047 2.288 -6.181 1.00 0.00 O ATOM 785 CB PHE A 51 9.420 3.420 -4.366 1.00 0.00 C ATOM 786 CG PHE A 51 10.000 4.110 -5.566 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.144 3.596 -6.196 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.330 5.222 -6.099 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.530 4.106 -7.444 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.760 5.772 -7.310 1.00 0.00 C ATOM 791 CZ PHE A 51 10.831 5.189 -8.002 1.00 0.00 C ATOM 0 H PHE A 51 10.789 1.257 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 51 8.035 1.922 -3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.633 4.049 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.196 3.337 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.722 2.815 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.487 5.650 -5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.362 3.667 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.268 6.645 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.120 5.574 -8.969 1.00 0.00 H new ATOM 801 N GLU A 52 8.797 1.119 -6.936 1.00 0.00 N ATOM 802 CA GLU A 52 8.133 0.723 -8.176 1.00 0.00 C ATOM 803 C GLU A 52 6.789 0.014 -7.926 1.00 0.00 C ATOM 804 O GLU A 52 5.877 0.088 -8.757 1.00 0.00 O ATOM 805 CB GLU A 52 9.080 -0.107 -9.050 1.00 0.00 C ATOM 806 CG GLU A 52 9.826 0.799 -10.045 1.00 0.00 C ATOM 807 CD GLU A 52 8.880 1.259 -11.161 1.00 0.00 C ATOM 808 OE1 GLU A 52 8.558 0.465 -12.073 1.00 0.00 O ATOM 809 OE2 GLU A 52 8.355 2.396 -11.093 1.00 0.00 O ATOM 0 H GLU A 52 9.756 0.782 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 52 7.885 1.632 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.797 -0.634 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.514 -0.865 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.232 1.666 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.671 0.260 -10.474 1.00 0.00 H new ATOM 816 N LYS A 53 6.608 -0.635 -6.765 1.00 0.00 N ATOM 817 CA LYS A 53 5.305 -1.175 -6.395 1.00 0.00 C ATOM 818 C LYS A 53 4.330 -0.073 -5.985 1.00 0.00 C ATOM 819 O LYS A 53 3.178 -0.103 -6.414 1.00 0.00 O ATOM 820 CB LYS A 53 5.395 -2.211 -5.272 1.00 0.00 C ATOM 821 CG LYS A 53 6.541 -3.215 -5.350 1.00 0.00 C ATOM 822 CD LYS A 53 6.308 -4.334 -4.339 1.00 0.00 C ATOM 823 CE LYS A 53 7.024 -5.641 -4.683 1.00 0.00 C ATOM 824 NZ LYS A 53 6.650 -6.175 -6.015 1.00 0.00 N ATOM 0 H LYS A 53 7.344 -0.794 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 53 4.929 -1.671 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.475 -1.678 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.458 -2.767 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.609 -3.628 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.489 -2.717 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.640 -3.997 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.238 -4.526 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.101 -5.477 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.794 -6.386 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.880 -7.188 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.630 -6.044 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.178 -5.667 -6.753 1.00 0.00 H new ATOM 838 N MET A 54 4.735 0.880 -5.138 1.00 0.00 N ATOM 839 CA MET A 54 3.785 1.867 -4.602 1.00 0.00 C ATOM 840 C MET A 54 3.284 2.797 -5.706 1.00 0.00 C ATOM 841 O MET A 54 2.096 3.114 -5.782 1.00 0.00 O ATOM 842 CB MET A 54 4.350 2.655 -3.413 1.00 0.00 C ATOM 843 CG MET A 54 5.434 3.689 -3.750 1.00 0.00 C ATOM 844 SD MET A 54 6.147 4.587 -2.349 1.00 0.00 S ATOM 845 CE MET A 54 7.103 3.289 -1.524 1.00 0.00 C ATOM 0 H MET A 54 5.695 0.990 -4.812 1.00 0.00 H new ATOM 0 HA MET A 54 2.934 1.307 -4.215 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.526 3.169 -2.918 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.762 1.946 -2.695 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.241 3.180 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.010 4.416 -4.443 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.220 3.538 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.579 2.337 -1.616 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.085 3.209 -1.989 1.00 0.00 H new ATOM 855 N VAL A 55 4.171 3.154 -6.632 1.00 0.00 N ATOM 856 CA VAL A 55 3.881 3.968 -7.806 1.00 0.00 C ATOM 857 C VAL A 55 2.919 3.243 -8.763 1.00 0.00 C ATOM 858 O VAL A 55 2.393 3.835 -9.706 1.00 0.00 O ATOM 859 CB VAL A 55 5.239 4.355 -8.424 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.122 5.191 -9.697 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.044 5.183 -7.410 1.00 0.00 C ATOM 0 H VAL A 55 5.150 2.872 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 55 3.347 4.883 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 55 5.727 3.415 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.119 5.424 -10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.572 4.629 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.592 6.117 -9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.005 5.458 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.489 6.086 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.210 4.593 -6.508 1.00 0.00 H new ATOM 871 N SER A 56 2.583 1.995 -8.456 1.00 0.00 N ATOM 872 CA SER A 56 1.672 1.169 -9.208 1.00 0.00 C ATOM 873 C SER A 56 0.373 0.880 -8.429 1.00 0.00 C ATOM 874 O SER A 56 -0.433 0.088 -8.920 1.00 0.00 O ATOM 875 CB SER A 56 2.445 -0.067 -9.650 1.00 0.00 C ATOM 876 OG SER A 56 3.545 0.314 -10.477 1.00 0.00 O ATOM 0 H SER A 56 2.961 1.519 -7.637 1.00 0.00 H new ATOM 0 HA SER A 56 1.313 1.684 -10.099 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.807 -0.611 -8.777 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.786 -0.742 -10.196 1.00 0.00 H new ATOM 0 HG SER A 56 4.374 0.279 -9.955 1.00 0.00 H new ATOM 882 N LEU A 57 0.095 1.540 -7.281 1.00 0.00 N ATOM 883 CA LEU A 57 -1.187 1.446 -6.578 1.00 0.00 C ATOM 884 C LEU A 57 -1.860 2.803 -6.458 1.00 0.00 C ATOM 885 O LEU A 57 -3.086 2.886 -6.545 1.00 0.00 O ATOM 886 CB LEU A 57 -1.157 0.756 -5.234 1.00 0.00 C ATOM 887 CG LEU A 57 -0.138 1.201 -4.204 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.265 2.612 -3.624 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.312 0.276 -3.012 1.00 0.00 C ATOM 0 H LEU A 57 0.765 2.155 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.779 0.791 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.145 0.863 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.001 -0.308 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 57 0.814 1.180 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.534 2.782 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.190 3.344 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.230 2.716 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.399 0.549 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.327 0.368 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.133 -0.754 -3.321 1.00 0.00 H new ATOM 901 N LEU A 58 -1.072 3.873 -6.331 1.00 0.00 N ATOM 902 CA LEU A 58 -1.512 5.232 -6.017 1.00 0.00 C ATOM 903 C LEU A 58 -2.319 5.894 -7.143 1.00 0.00 C ATOM 904 O LEU A 58 -2.696 7.055 -7.057 1.00 0.00 O ATOM 905 CB LEU A 58 -0.282 6.069 -5.613 1.00 0.00 C ATOM 906 CG LEU A 58 0.518 6.690 -6.761 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.781 7.364 -6.218 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.843 5.747 -7.903 1.00 0.00 C ATOM 0 H LEU A 58 -0.061 3.811 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.210 5.177 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.614 6.871 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.388 5.435 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.139 7.437 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.343 7.802 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.501 8.147 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.399 6.623 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.411 6.281 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.435 4.912 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.083 5.370 -8.338 1.00 0.00 H new ATOM 920 N SER A 59 -2.554 5.142 -8.209 1.00 0.00 N ATOM 921 CA SER A 59 -3.318 5.484 -9.389 1.00 0.00 C ATOM 922 C SER A 59 -4.385 4.411 -9.672 1.00 0.00 C ATOM 923 O SER A 59 -5.298 4.656 -10.455 1.00 0.00 O ATOM 924 CB SER A 59 -2.329 5.679 -10.549 1.00 0.00 C ATOM 925 OG SER A 59 -2.984 6.008 -11.762 1.00 0.00 O ATOM 0 H SER A 59 -2.180 4.195 -8.270 1.00 0.00 H new ATOM 0 HA SER A 59 -3.869 6.413 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.623 6.469 -10.293 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.749 4.766 -10.687 1.00 0.00 H new ATOM 0 HG SER A 59 -2.319 6.124 -12.472 1.00 0.00 H new ATOM 931 N VAL A 60 -4.303 3.224 -9.067 1.00 0.00 N ATOM 932 CA VAL A 60 -5.310 2.174 -9.169 1.00 0.00 C ATOM 933 C VAL A 60 -6.518 2.654 -8.382 1.00 0.00 C ATOM 934 O VAL A 60 -7.607 2.829 -8.925 1.00 0.00 O ATOM 935 CB VAL A 60 -4.780 0.846 -8.561 1.00 0.00 C ATOM 936 CG1 VAL A 60 -5.737 -0.333 -8.778 1.00 0.00 C ATOM 937 CG2 VAL A 60 -3.395 0.452 -9.067 1.00 0.00 C ATOM 0 H VAL A 60 -3.512 2.963 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.562 1.981 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.709 1.058 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.313 -1.233 -8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.697 -0.113 -8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.882 -0.492 -9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.090 -0.484 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.426 0.325 -10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.679 1.234 -8.814 1.00 0.00 H new ATOM 947 N LEU A 61 -6.311 2.860 -7.078 1.00 0.00 N ATOM 948 CA LEU A 61 -7.405 2.993 -6.137 1.00 0.00 C ATOM 949 C LEU A 61 -8.093 4.324 -6.389 1.00 0.00 C ATOM 950 O LEU A 61 -9.309 4.429 -6.330 1.00 0.00 O ATOM 951 CB LEU A 61 -6.920 2.934 -4.686 1.00 0.00 C ATOM 952 CG LEU A 61 -5.860 1.869 -4.344 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.665 2.557 -3.709 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.427 0.820 -3.403 1.00 0.00 C ATOM 0 H LEU A 61 -5.385 2.937 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.095 2.162 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.514 3.911 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.786 2.767 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.553 1.361 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.907 1.814 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.249 3.282 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.981 3.070 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.659 0.080 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.753 1.298 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.277 0.328 -3.876 1.00 0.00 H new ATOM 966 N LEU A 62 -7.307 5.347 -6.723 1.00 0.00 N ATOM 967 CA LEU A 62 -7.811 6.687 -6.955 1.00 0.00 C ATOM 968 C LEU A 62 -8.746 6.692 -8.148 1.00 0.00 C ATOM 969 O LEU A 62 -9.795 7.336 -8.085 1.00 0.00 O ATOM 970 CB LEU A 62 -6.643 7.659 -7.163 1.00 0.00 C ATOM 971 CG LEU A 62 -5.679 7.768 -5.960 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.019 9.148 -5.913 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.297 7.453 -4.598 1.00 0.00 C ATOM 0 H LEU A 62 -6.297 5.262 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.375 7.015 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.076 7.344 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.045 8.648 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.936 6.990 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.345 9.200 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.454 9.313 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.787 9.916 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.539 7.558 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.116 8.145 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.677 6.431 -4.598 1.00 0.00 H new ATOM 985 N SER A 63 -8.429 5.899 -9.174 1.00 0.00 N ATOM 986 CA SER A 63 -9.281 5.733 -10.341 1.00 0.00 C ATOM 987 C SER A 63 -10.451 4.765 -10.069 1.00 0.00 C ATOM 988 O SER A 63 -11.094 4.263 -10.994 1.00 0.00 O ATOM 989 CB SER A 63 -8.409 5.365 -11.547 1.00 0.00 C ATOM 990 OG SER A 63 -8.859 6.115 -12.664 1.00 0.00 O ATOM 0 H SER A 63 -7.568 5.353 -9.213 1.00 0.00 H new ATOM 0 HA SER A 63 -9.776 6.674 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.361 5.583 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.477 4.297 -11.754 1.00 0.00 H new ATOM 0 HG SER A 63 -8.312 5.895 -13.447 1.00 0.00 H new ATOM 996 N MET A 64 -10.771 4.516 -8.795 1.00 0.00 N ATOM 997 CA MET A 64 -12.010 3.884 -8.384 1.00 0.00 C ATOM 998 C MET A 64 -12.702 4.603 -7.215 1.00 0.00 C ATOM 999 O MET A 64 -13.744 4.109 -6.781 1.00 0.00 O ATOM 1000 CB MET A 64 -11.764 2.389 -8.090 1.00 0.00 C ATOM 1001 CG MET A 64 -11.170 2.082 -6.706 1.00 0.00 C ATOM 1002 SD MET A 64 -12.183 0.955 -5.732 1.00 0.00 S ATOM 1003 CE MET A 64 -11.656 1.462 -4.086 1.00 0.00 C ATOM 0 H MET A 64 -10.160 4.755 -8.014 1.00 0.00 H new ATOM 0 HA MET A 64 -12.711 3.965 -9.215 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.710 1.856 -8.188 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.093 1.991 -8.852 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.177 1.651 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.045 3.015 -6.156 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.737 0.617 -3.402 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.621 1.801 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.291 2.275 -3.735 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.132 5.689 -6.651 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.605 6.175 -5.349 1.00 0.00 C ATOM 1015 C GLN A 65 -12.448 7.668 -5.034 1.00 0.00 C ATOM 1016 O GLN A 65 -13.195 8.147 -4.187 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.953 5.332 -4.239 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.563 5.836 -3.806 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.774 4.853 -2.946 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -8.555 4.824 -3.006 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.412 4.065 -2.091 1.00 0.00 N ATOM 0 H GLN A 65 -11.370 6.227 -7.064 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.687 6.055 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.611 5.321 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.864 4.302 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.981 6.068 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.684 6.767 -3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.430 4.088 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.884 3.436 -1.485 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.492 8.391 -5.626 1.00 0.00 N ATOM 1031 CA GLY A 66 -11.286 9.805 -5.304 1.00 0.00 C ATOM 1032 C GLY A 66 -10.744 10.061 -3.888 1.00 0.00 C ATOM 1033 O GLY A 66 -11.289 10.900 -3.169 1.00 0.00 O ATOM 0 H GLY A 66 -10.851 8.021 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.593 10.233 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.233 10.333 -5.419 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.695 9.345 -3.459 1.00 0.00 N ATOM 1038 CA ALA A 67 -9.043 9.576 -2.163 1.00 0.00 C ATOM 1039 C ALA A 67 -8.006 10.705 -2.249 1.00 0.00 C ATOM 1040 O ALA A 67 -7.688 11.168 -3.346 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.365 8.294 -1.668 1.00 0.00 C ATOM 0 H ALA A 67 -9.275 8.590 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.818 9.873 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.887 8.483 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.112 7.508 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.613 7.977 -2.391 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.416 11.097 -1.112 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.508 12.250 -1.034 1.00 0.00 C ATOM 1049 C VAL A 68 -5.104 11.883 -0.543 1.00 0.00 C ATOM 1050 O VAL A 68 -4.127 12.151 -1.238 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.142 13.394 -0.214 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.112 14.191 -1.089 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.891 12.924 1.044 1.00 0.00 C ATOM 0 H VAL A 68 -7.555 10.623 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.365 12.611 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.308 14.011 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.554 14.996 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.573 14.614 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.900 13.532 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.307 13.787 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.698 12.250 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.200 12.401 1.705 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.965 11.248 0.624 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.693 11.055 1.345 1.00 0.00 C ATOM 1065 C ASP A 69 -2.832 9.948 0.723 1.00 0.00 C ATOM 1066 O ASP A 69 -2.013 9.332 1.398 1.00 0.00 O ATOM 1067 CB ASP A 69 -3.962 10.810 2.841 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.573 12.008 3.561 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.185 13.171 3.300 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.442 11.764 4.426 1.00 0.00 O ATOM 0 H ASP A 69 -5.760 10.838 1.114 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.111 11.972 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.631 9.956 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.025 10.543 3.330 1.00 0.00 H new ATOM 1075 N ILE A 70 -2.969 9.683 -0.576 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.339 8.535 -1.225 1.00 0.00 C ATOM 1077 C ILE A 70 -0.815 8.664 -1.146 1.00 0.00 C ATOM 1078 O ILE A 70 -0.087 7.675 -1.066 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.878 8.358 -2.672 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.792 6.911 -3.187 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.111 9.201 -3.721 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.540 5.838 -2.396 1.00 0.00 C ATOM 0 H ILE A 70 -3.522 10.261 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.602 7.618 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.914 8.684 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.164 6.895 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.740 6.629 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.539 9.030 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.193 10.258 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.061 8.909 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.393 4.868 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.157 5.805 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.604 6.075 -2.377 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.327 9.904 -1.154 1.00 0.00 N ATOM 1095 CA ASN A 71 1.092 10.202 -1.102 1.00 0.00 C ATOM 1096 C ASN A 71 1.657 9.993 0.299 1.00 0.00 C ATOM 1097 O ASN A 71 2.864 9.896 0.439 1.00 0.00 O ATOM 1098 CB ASN A 71 1.338 11.644 -1.574 1.00 0.00 C ATOM 1099 CG ASN A 71 1.487 11.715 -3.088 1.00 0.00 C ATOM 1100 OD1 ASN A 71 2.556 12.021 -3.605 1.00 0.00 O ATOM 1101 ND2 ASN A 71 0.431 11.404 -3.822 1.00 0.00 N ATOM 0 H ASN A 71 -0.918 10.735 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 71 1.610 9.512 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.510 12.278 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.238 12.035 -1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.496 11.416 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.448 11.153 -3.370 1.00 0.00 H new ATOM 1108 N ARG A 72 0.840 9.939 1.357 1.00 0.00 N ATOM 1109 CA ARG A 72 1.354 9.903 2.727 1.00 0.00 C ATOM 1110 C ARG A 72 2.114 8.613 2.976 1.00 0.00 C ATOM 1111 O ARG A 72 3.254 8.662 3.427 1.00 0.00 O ATOM 1112 CB ARG A 72 0.222 10.114 3.750 1.00 0.00 C ATOM 1113 CG ARG A 72 0.084 11.581 4.143 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.381 12.498 3.007 1.00 0.00 C ATOM 1115 NE ARG A 72 0.397 13.753 3.010 1.00 0.00 N ATOM 1116 CZ ARG A 72 1.534 13.982 2.333 1.00 0.00 C ATOM 1117 NH1 ARG A 72 2.027 13.056 1.520 1.00 0.00 N ATOM 1118 NH2 ARG A 72 2.175 15.131 2.464 1.00 0.00 N ATOM 0 H ARG A 72 -0.178 9.919 1.289 1.00 0.00 H new ATOM 0 HA ARG A 72 2.055 10.727 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.719 9.760 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.419 9.516 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.623 11.659 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.046 11.938 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.262 11.991 2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.442 12.720 3.121 1.00 0.00 H new ATOM 0 HE ARG A 72 0.037 14.518 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.542 12.166 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.891 13.235 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.807 15.853 3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.038 15.296 1.946 1.00 0.00 H new ATOM 1132 N LEU A 73 1.520 7.471 2.626 1.00 0.00 N ATOM 1133 CA LEU A 73 2.237 6.203 2.687 1.00 0.00 C ATOM 1134 C LEU A 73 3.461 6.232 1.765 1.00 0.00 C ATOM 1135 O LEU A 73 4.495 5.669 2.116 1.00 0.00 O ATOM 1136 CB LEU A 73 1.328 4.986 2.419 1.00 0.00 C ATOM 1137 CG LEU A 73 0.466 5.049 1.139 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.421 3.725 0.358 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.971 5.497 1.449 1.00 0.00 C ATOM 0 H LEU A 73 0.556 7.401 2.301 1.00 0.00 H new ATOM 0 HA LEU A 73 2.591 6.078 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.954 4.095 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.664 4.859 3.274 1.00 0.00 H new ATOM 0 HG LEU A 73 0.958 5.788 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.203 3.846 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.430 3.446 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.003 2.943 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.549 5.530 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.431 4.791 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.953 6.488 1.902 1.00 0.00 H new ATOM 1151 N CYS A 74 3.397 6.916 0.614 1.00 0.00 N ATOM 1152 CA CYS A 74 4.539 7.026 -0.294 1.00 0.00 C ATOM 1153 C CYS A 74 5.718 7.788 0.317 1.00 0.00 C ATOM 1154 O CYS A 74 6.822 7.705 -0.211 1.00 0.00 O ATOM 1155 CB CYS A 74 4.148 7.685 -1.623 1.00 0.00 C ATOM 1156 SG CYS A 74 2.852 6.735 -2.470 1.00 0.00 S ATOM 0 H CYS A 74 2.560 7.402 0.292 1.00 0.00 H new ATOM 0 HA CYS A 74 4.858 6.000 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.797 8.700 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.025 7.762 -2.266 1.00 0.00 H new ATOM 0 HG CYS A 74 1.691 7.048 -1.975 1.00 0.00 H new ATOM 1162 N GLU A 75 5.508 8.494 1.424 1.00 0.00 N ATOM 1163 CA GLU A 75 6.506 9.284 2.128 1.00 0.00 C ATOM 1164 C GLU A 75 6.720 8.690 3.531 1.00 0.00 C ATOM 1165 O GLU A 75 7.158 9.370 4.460 1.00 0.00 O ATOM 1166 CB GLU A 75 6.054 10.757 2.123 1.00 0.00 C ATOM 1167 CG GLU A 75 5.989 11.302 0.685 1.00 0.00 C ATOM 1168 CD GLU A 75 5.519 12.753 0.631 1.00 0.00 C ATOM 1169 OE1 GLU A 75 6.276 13.680 0.994 1.00 0.00 O ATOM 1170 OE2 GLU A 75 4.384 13.008 0.169 1.00 0.00 O ATOM 0 H GLU A 75 4.593 8.531 1.874 1.00 0.00 H new ATOM 0 HA GLU A 75 7.478 9.253 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.075 10.844 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.746 11.357 2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.975 11.225 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.314 10.682 0.095 1.00 0.00 H new ATOM 1177 N GLU A 76 6.386 7.403 3.702 1.00 0.00 N ATOM 1178 CA GLU A 76 6.526 6.692 4.961 1.00 0.00 C ATOM 1179 C GLU A 76 7.128 5.306 4.727 1.00 0.00 C ATOM 1180 O GLU A 76 8.265 5.082 5.133 1.00 0.00 O ATOM 1181 CB GLU A 76 5.187 6.702 5.704 1.00 0.00 C ATOM 1182 CG GLU A 76 5.351 6.180 7.135 1.00 0.00 C ATOM 1183 CD GLU A 76 4.122 6.449 7.999 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.644 7.605 8.008 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.668 5.504 8.690 1.00 0.00 O ATOM 0 H GLU A 76 6.006 6.826 2.952 1.00 0.00 H new ATOM 0 HA GLU A 76 7.235 7.196 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.787 7.716 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.465 6.086 5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.544 5.108 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.222 6.649 7.592 1.00 0.00 H new ATOM 1192 N MET A 77 6.463 4.367 4.044 1.00 0.00 N ATOM 1193 CA MET A 77 7.074 3.056 3.743 1.00 0.00 C ATOM 1194 C MET A 77 8.333 3.179 2.875 1.00 0.00 C ATOM 1195 O MET A 77 9.228 2.344 2.978 1.00 0.00 O ATOM 1196 CB MET A 77 6.056 2.089 3.132 1.00 0.00 C ATOM 1197 CG MET A 77 5.542 2.565 1.780 1.00 0.00 C ATOM 1198 SD MET A 77 3.920 1.926 1.313 1.00 0.00 S ATOM 1199 CE MET A 77 3.666 3.022 -0.098 1.00 0.00 C ATOM 0 H MET A 77 5.513 4.482 3.691 1.00 0.00 H new ATOM 0 HA MET A 77 7.397 2.635 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.515 1.107 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.216 1.971 3.816 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.498 3.654 1.788 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.263 2.280 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.950 2.571 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.281 3.980 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.614 3.178 -0.613 1.00 0.00 H new ATOM 1209 N LEU A 78 8.427 4.229 2.056 1.00 0.00 N ATOM 1210 CA LEU A 78 9.635 4.571 1.311 1.00 0.00 C ATOM 1211 C LEU A 78 10.751 4.906 2.303 1.00 0.00 C ATOM 1212 O LEU A 78 11.834 4.325 2.261 1.00 0.00 O ATOM 1213 CB LEU A 78 9.278 5.756 0.381 1.00 0.00 C ATOM 1214 CG LEU A 78 10.325 6.207 -0.657 1.00 0.00 C ATOM 1215 CD1 LEU A 78 10.989 5.016 -1.338 1.00 0.00 C ATOM 1216 CD2 LEU A 78 9.641 7.038 -1.755 1.00 0.00 C ATOM 0 H LEU A 78 7.653 4.873 1.891 1.00 0.00 H new ATOM 0 HA LEU A 78 9.997 3.746 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.367 5.495 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.042 6.614 1.010 1.00 0.00 H new ATOM 0 HG LEU A 78 11.077 6.790 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.721 5.373 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.489 4.401 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.232 4.421 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.384 7.355 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.880 6.433 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.173 7.916 -1.309 1.00 0.00 H new ATOM 1228 N ASP A 79 10.448 5.779 3.262 1.00 0.00 N ATOM 1229 CA ASP A 79 11.365 6.215 4.308 1.00 0.00 C ATOM 1230 C ASP A 79 11.824 5.058 5.188 1.00 0.00 C ATOM 1231 O ASP A 79 12.975 4.989 5.621 1.00 0.00 O ATOM 1232 CB ASP A 79 10.673 7.261 5.189 1.00 0.00 C ATOM 1233 CG ASP A 79 11.713 8.225 5.734 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.175 9.089 4.952 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.052 8.117 6.932 1.00 0.00 O ATOM 0 H ASP A 79 9.528 6.215 3.333 1.00 0.00 H new ATOM 0 HA ASP A 79 12.242 6.638 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.925 7.803 4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.148 6.772 6.010 1.00 0.00 H new ATOM 1240 N ASN A 80 10.909 4.132 5.469 1.00 0.00 N ATOM 1241 CA ASN A 80 11.144 2.994 6.352 1.00 0.00 C ATOM 1242 C ASN A 80 12.161 2.033 5.760 1.00 0.00 C ATOM 1243 O ASN A 80 12.797 1.324 6.540 1.00 0.00 O ATOM 1244 CB ASN A 80 9.858 2.212 6.639 1.00 0.00 C ATOM 1245 CG ASN A 80 9.091 2.747 7.825 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.138 2.185 8.920 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.360 3.819 7.610 1.00 0.00 N ATOM 0 H ASN A 80 9.966 4.153 5.081 1.00 0.00 H new ATOM 0 HA ASN A 80 11.526 3.413 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.218 2.241 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.108 1.166 6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.803 4.216 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.350 4.253 6.687 1.00 0.00 H new ATOM 1254 N ARG A 81 12.333 1.978 4.432 1.00 0.00 N ATOM 1255 CA ARG A 81 13.424 1.206 3.863 1.00 0.00 C ATOM 1256 C ARG A 81 14.668 2.068 3.696 1.00 0.00 C ATOM 1257 O ARG A 81 15.779 1.579 3.877 1.00 0.00 O ATOM 1258 CB ARG A 81 13.000 0.496 2.581 1.00 0.00 C ATOM 1259 CG ARG A 81 12.804 1.336 1.316 1.00 0.00 C ATOM 1260 CD ARG A 81 13.608 0.736 0.166 1.00 0.00 C ATOM 1261 NE ARG A 81 13.269 -0.680 -0.067 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.133 -1.699 -0.071 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.440 -1.500 -0.253 1.00 0.00 N ATOM 1264 NH2 ARG A 81 13.663 -2.923 0.121 1.00 0.00 N ATOM 0 H ARG A 81 11.739 2.452 3.751 1.00 0.00 H new ATOM 0 HA ARG A 81 13.690 0.414 4.563 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.747 -0.267 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.064 -0.024 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.747 1.372 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.122 2.363 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.422 1.307 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.672 0.823 0.384 1.00 0.00 H new ATOM 0 HE ARG A 81 12.288 -0.901 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.797 -0.555 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.082 -2.293 -0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.664 -3.069 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.300 -3.720 0.123 1.00 0.00 H new ATOM 1278 N ALA A 82 14.508 3.355 3.378 1.00 0.00 N ATOM 1279 CA ALA A 82 15.638 4.229 3.109 1.00 0.00 C ATOM 1280 C ALA A 82 16.443 4.563 4.368 1.00 0.00 C ATOM 1281 O ALA A 82 17.584 5.007 4.267 1.00 0.00 O ATOM 1282 CB ALA A 82 15.151 5.492 2.420 1.00 0.00 C ATOM 0 H ALA A 82 13.599 3.811 3.302 1.00 0.00 H new ATOM 0 HA ALA A 82 16.321 3.694 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.999 6.147 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.664 5.229 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.440 6.007 3.065 1.00 0.00 H new ATOM 1288 N THR A 83 15.888 4.331 5.554 1.00 0.00 N ATOM 1289 CA THR A 83 16.610 4.427 6.814 1.00 0.00 C ATOM 1290 C THR A 83 17.709 3.347 6.891 1.00 0.00 C ATOM 1291 O THR A 83 18.643 3.495 7.675 1.00 0.00 O ATOM 1292 CB THR A 83 15.577 4.397 7.955 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.011 5.024 9.143 1.00 0.00 O ATOM 1294 CG2 THR A 83 15.113 2.987 8.296 1.00 0.00 C ATOM 0 H THR A 83 14.909 4.067 5.666 1.00 0.00 H new ATOM 0 HA THR A 83 17.154 5.367 6.903 1.00 0.00 H new ATOM 0 HB THR A 83 14.741 4.970 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.305 4.967 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.386 3.029 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.652 2.534 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.969 2.388 8.607 1.00 0.00 H new ATOM 1302 N LEU A 84 17.633 2.288 6.069 1.00 0.00 N ATOM 1303 CA LEU A 84 18.613 1.207 5.957 1.00 0.00 C ATOM 1304 C LEU A 84 19.496 1.393 4.713 1.00 0.00 C ATOM 1305 O LEU A 84 20.122 0.438 4.247 1.00 0.00 O ATOM 1306 CB LEU A 84 17.905 -0.164 5.926 1.00 0.00 C ATOM 1307 CG LEU A 84 17.074 -0.473 7.184 1.00 0.00 C ATOM 1308 CD1 LEU A 84 16.208 -1.716 6.949 1.00 0.00 C ATOM 1309 CD2 LEU A 84 17.956 -0.681 8.419 1.00 0.00 C ATOM 0 H LEU A 84 16.845 2.161 5.434 1.00 0.00 H new ATOM 0 HA LEU A 84 19.259 1.240 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.252 -0.204 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.655 -0.945 5.799 1.00 0.00 H new ATOM 0 HG LEU A 84 16.436 0.390 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.624 -1.927 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.535 -1.537 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.849 -2.569 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.327 -0.896 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.633 -1.517 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.536 0.222 8.608 1.00 0.00 H new ATOM 1321 N GLN A 85 19.510 2.582 4.109 1.00 0.00 N ATOM 1322 CA GLN A 85 20.429 2.923 3.027 1.00 0.00 C ATOM 1323 C GLN A 85 21.631 3.630 3.631 1.00 0.00 C ATOM 1324 O GLN A 85 22.759 3.339 3.174 1.00 0.00 O ATOM 1325 CB GLN A 85 19.710 3.764 1.960 1.00 0.00 C ATOM 1326 CG GLN A 85 18.583 3.009 1.233 1.00 0.00 C ATOM 1327 CD GLN A 85 19.077 2.017 0.181 1.00 0.00 C ATOM 1328 OE1 GLN A 85 19.065 2.311 -1.015 1.00 0.00 O ATOM 1329 NE2 GLN A 85 19.479 0.822 0.576 1.00 0.00 N ATOM 0 H GLN A 85 18.877 3.341 4.361 1.00 0.00 H new ATOM 0 HA GLN A 85 20.781 2.027 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 85 19.294 4.654 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.440 4.104 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.984 2.473 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.925 3.734 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.485 0.588 1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.783 0.133 -0.112 1.00 0.00 H new TER 1338 GLN A 85