USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 25 THR OG1 : rot 180:sc= -0.132 USER MOD Set 1.2: A 71 THR OG1 : rot -143:sc= 0.0177 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.15 (180deg=-1.1) USER MOD Single : A 3 THR OG1 : rot -30:sc= 0.362 USER MOD Single : A 6 ASN : amide:sc= -2.62! C(o=-2.6!,f=-7.6!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -113:sc= 0.342 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 170:sc= -0.503 USER MOD Single : A 29 GLN : amide:sc= -2.31 K(o=-2.3,f=-3!) USER MOD Single : A 35 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4.8!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.75 F(o=-2,f=-0.75) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -156:sc= -0.105 (180deg=-1.39) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.0604 (180deg=-0.444) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0577 USER MOD Single : A 94 GLN : amide:sc= -4.58! C(o=-4.6!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.512 -18.604 -16.742 1.00 0.00 N ATOM 2 CA MET A 1 -22.904 -17.970 -17.946 1.00 0.00 C ATOM 3 C MET A 1 -22.144 -16.716 -17.529 1.00 0.00 C ATOM 4 O MET A 1 -20.926 -16.633 -17.689 1.00 0.00 O ATOM 5 CB MET A 1 -24.008 -17.605 -18.940 1.00 0.00 C ATOM 6 CG MET A 1 -24.744 -18.872 -19.376 1.00 0.00 C ATOM 7 SD MET A 1 -26.224 -18.417 -20.314 1.00 0.00 S ATOM 8 CE MET A 1 -27.111 -19.981 -20.113 1.00 0.00 C ATOM 0 H1 MET A 1 -23.606 -19.628 -16.899 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.904 -18.434 -15.916 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.452 -18.193 -16.570 1.00 0.00 H new ATOM 0 HA MET A 1 -22.212 -18.667 -18.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.707 -16.905 -18.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.579 -17.104 -19.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.090 -19.493 -19.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.021 -19.463 -18.503 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.072 -19.922 -20.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.521 -20.791 -20.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.275 -20.173 -19.053 1.00 0.00 H new ATOM 18 N VAL A 2 -22.873 -15.741 -16.996 1.00 0.00 N ATOM 19 CA VAL A 2 -22.260 -14.490 -16.560 1.00 0.00 C ATOM 20 C VAL A 2 -21.621 -14.654 -15.185 1.00 0.00 C ATOM 21 O VAL A 2 -22.190 -15.285 -14.295 1.00 0.00 O ATOM 22 CB VAL A 2 -23.313 -13.385 -16.504 1.00 0.00 C ATOM 23 CG1 VAL A 2 -23.928 -13.193 -17.892 1.00 0.00 C ATOM 24 CG2 VAL A 2 -24.410 -13.777 -15.512 1.00 0.00 C ATOM 0 H VAL A 2 -23.882 -15.791 -16.856 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.485 -14.220 -17.278 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.845 -12.455 -16.182 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.679 -12.404 -17.851 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -23.148 -12.915 -18.600 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -24.396 -14.123 -18.215 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -25.162 -12.989 -15.471 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -24.877 -14.708 -15.835 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.974 -13.914 -14.522 1.00 0.00 H new ATOM 34 N THR A 3 -20.436 -14.075 -15.019 1.00 0.00 N ATOM 35 CA THR A 3 -19.724 -14.155 -13.748 1.00 0.00 C ATOM 36 C THR A 3 -18.707 -13.021 -13.636 1.00 0.00 C ATOM 37 O THR A 3 -17.502 -13.261 -13.568 1.00 0.00 O ATOM 38 CB THR A 3 -19.005 -15.502 -13.634 1.00 0.00 C ATOM 39 OG1 THR A 3 -19.893 -16.544 -14.013 1.00 0.00 O ATOM 40 CG2 THR A 3 -18.548 -15.718 -12.190 1.00 0.00 C ATOM 0 H THR A 3 -19.950 -13.548 -15.745 1.00 0.00 H new ATOM 0 HA THR A 3 -20.448 -14.063 -12.939 1.00 0.00 H new ATOM 0 HB THR A 3 -18.136 -15.507 -14.292 1.00 0.00 H new ATOM 0 HG1 THR A 3 -20.813 -16.286 -13.793 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.036 -16.677 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.867 -14.918 -11.900 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.415 -15.713 -11.529 1.00 0.00 H new ATOM 48 N PRO A 4 -19.174 -11.800 -13.616 1.00 0.00 N ATOM 49 CA PRO A 4 -18.293 -10.601 -13.511 1.00 0.00 C ATOM 50 C PRO A 4 -17.167 -10.793 -12.495 1.00 0.00 C ATOM 51 O PRO A 4 -17.243 -11.662 -11.626 1.00 0.00 O ATOM 52 CB PRO A 4 -19.261 -9.498 -13.072 1.00 0.00 C ATOM 53 CG PRO A 4 -20.579 -9.890 -13.662 1.00 0.00 C ATOM 54 CD PRO A 4 -20.598 -11.426 -13.692 1.00 0.00 C ATOM 0 HA PRO A 4 -17.777 -10.379 -14.445 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.318 -9.431 -11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.940 -8.522 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.404 -9.503 -13.064 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.693 -9.480 -14.665 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.164 -11.835 -12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -21.062 -11.802 -14.604 1.00 0.00 H new ATOM 62 N VAL A 5 -16.125 -9.975 -12.613 1.00 0.00 N ATOM 63 CA VAL A 5 -14.988 -10.057 -11.704 1.00 0.00 C ATOM 64 C VAL A 5 -14.178 -8.763 -11.749 1.00 0.00 C ATOM 65 O VAL A 5 -14.178 -8.057 -12.756 1.00 0.00 O ATOM 66 CB VAL A 5 -14.100 -11.246 -12.085 1.00 0.00 C ATOM 67 CG1 VAL A 5 -13.368 -10.950 -13.397 1.00 0.00 C ATOM 68 CG2 VAL A 5 -13.076 -11.495 -10.974 1.00 0.00 C ATOM 0 H VAL A 5 -16.045 -9.251 -13.327 1.00 0.00 H new ATOM 0 HA VAL A 5 -15.360 -10.200 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.722 -12.131 -12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.738 -11.799 -13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.097 -10.777 -14.189 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.747 -10.062 -13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.444 -12.341 -11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.458 -10.607 -10.844 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.597 -11.715 -10.042 1.00 0.00 H new ATOM 78 N ASN A 6 -13.494 -8.456 -10.653 1.00 0.00 N ATOM 79 CA ASN A 6 -12.690 -7.242 -10.583 1.00 0.00 C ATOM 80 C ASN A 6 -11.822 -7.252 -9.327 1.00 0.00 C ATOM 81 O ASN A 6 -10.833 -7.980 -9.252 1.00 0.00 O ATOM 82 CB ASN A 6 -13.605 -6.014 -10.579 1.00 0.00 C ATOM 83 CG ASN A 6 -14.780 -6.246 -9.634 1.00 0.00 C ATOM 84 OD1 ASN A 6 -14.660 -6.999 -8.668 1.00 0.00 O ATOM 85 ND2 ASN A 6 -15.915 -5.641 -9.856 1.00 0.00 N ATOM 0 H ASN A 6 -13.480 -9.026 -9.807 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.038 -7.200 -11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.044 -5.133 -10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.971 -5.819 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.705 -5.792 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.012 -5.017 -10.657 1.00 0.00 H new ATOM 92 N MET A 7 -12.198 -6.442 -8.343 1.00 0.00 N ATOM 93 CA MET A 7 -11.442 -6.370 -7.099 1.00 0.00 C ATOM 94 C MET A 7 -11.121 -7.769 -6.578 1.00 0.00 C ATOM 95 O MET A 7 -12.020 -8.532 -6.221 1.00 0.00 O ATOM 96 CB MET A 7 -12.241 -5.590 -6.047 1.00 0.00 C ATOM 97 CG MET A 7 -11.530 -5.666 -4.693 1.00 0.00 C ATOM 98 SD MET A 7 -12.213 -4.416 -3.576 1.00 0.00 S ATOM 99 CE MET A 7 -11.364 -4.972 -2.078 1.00 0.00 C ATOM 0 H MET A 7 -13.014 -5.831 -8.382 1.00 0.00 H new ATOM 0 HA MET A 7 -10.503 -5.852 -7.295 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.346 -4.550 -6.355 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.247 -6.001 -5.963 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.653 -6.659 -4.262 1.00 0.00 H new ATOM 0 HG3 MET A 7 -10.460 -5.506 -4.824 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.643 -4.330 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.651 -6.000 -1.858 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.286 -4.921 -2.231 1.00 0.00 H new ATOM 109 N SER A 8 -9.829 -8.093 -6.528 1.00 0.00 N ATOM 110 CA SER A 8 -9.395 -9.397 -6.037 1.00 0.00 C ATOM 111 C SER A 8 -9.319 -9.377 -4.514 1.00 0.00 C ATOM 112 O SER A 8 -9.993 -8.575 -3.865 1.00 0.00 O ATOM 113 CB SER A 8 -8.025 -9.752 -6.622 1.00 0.00 C ATOM 114 OG SER A 8 -7.836 -11.160 -6.551 1.00 0.00 O ATOM 0 H SER A 8 -9.072 -7.475 -6.819 1.00 0.00 H new ATOM 0 HA SER A 8 -10.118 -10.151 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.960 -9.416 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.237 -9.239 -6.071 1.00 0.00 H new ATOM 0 HG SER A 8 -7.112 -11.362 -5.922 1.00 0.00 H new ATOM 120 N ARG A 9 -8.506 -10.268 -3.942 1.00 0.00 N ATOM 121 CA ARG A 9 -8.364 -10.348 -2.490 1.00 0.00 C ATOM 122 C ARG A 9 -6.903 -10.512 -2.087 1.00 0.00 C ATOM 123 O ARG A 9 -6.517 -10.118 -0.995 1.00 0.00 O ATOM 124 CB ARG A 9 -9.170 -11.536 -1.951 1.00 0.00 C ATOM 125 CG ARG A 9 -9.378 -11.387 -0.430 1.00 0.00 C ATOM 126 CD ARG A 9 -10.665 -10.602 -0.154 1.00 0.00 C ATOM 127 NE ARG A 9 -10.808 -10.344 1.272 1.00 0.00 N ATOM 128 CZ ARG A 9 -11.769 -9.549 1.728 1.00 0.00 C ATOM 129 NH1 ARG A 9 -12.598 -8.987 0.892 1.00 0.00 N ATOM 130 NH2 ARG A 9 -11.885 -9.331 3.009 1.00 0.00 N ATOM 0 H ARG A 9 -7.940 -10.940 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.741 -9.418 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.135 -11.589 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.647 -12.468 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.435 -12.371 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.526 -10.873 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.647 -9.659 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.526 -11.164 -0.516 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.161 -10.780 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.507 -9.159 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.337 -8.376 1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.237 -9.771 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.624 -8.720 3.358 1.00 0.00 H new ATOM 144 N GLU A 10 -6.094 -11.118 -2.955 1.00 0.00 N ATOM 145 CA GLU A 10 -4.677 -11.325 -2.639 1.00 0.00 C ATOM 146 C GLU A 10 -3.832 -10.197 -3.227 1.00 0.00 C ATOM 147 O GLU A 10 -2.766 -9.870 -2.708 1.00 0.00 O ATOM 148 CB GLU A 10 -4.204 -12.674 -3.193 1.00 0.00 C ATOM 149 CG GLU A 10 -4.804 -12.913 -4.587 1.00 0.00 C ATOM 150 CD GLU A 10 -6.208 -13.501 -4.466 1.00 0.00 C ATOM 151 OE1 GLU A 10 -6.385 -14.398 -3.658 1.00 0.00 O ATOM 152 OE2 GLU A 10 -7.083 -13.046 -5.183 1.00 0.00 O ATOM 0 H GLU A 10 -6.386 -11.469 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.559 -11.325 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.116 -12.691 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.501 -13.477 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.842 -11.974 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.166 -13.591 -5.154 1.00 0.00 H new ATOM 159 N THR A 11 -4.324 -9.601 -4.306 1.00 0.00 N ATOM 160 CA THR A 11 -3.619 -8.499 -4.962 1.00 0.00 C ATOM 161 C THR A 11 -3.961 -7.175 -4.280 1.00 0.00 C ATOM 162 O THR A 11 -3.090 -6.349 -4.009 1.00 0.00 O ATOM 163 CB THR A 11 -4.025 -8.439 -6.437 1.00 0.00 C ATOM 164 OG1 THR A 11 -3.494 -9.568 -7.117 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.489 -7.157 -7.081 1.00 0.00 C ATOM 0 H THR A 11 -5.207 -9.859 -4.747 1.00 0.00 H new ATOM 0 HA THR A 11 -2.545 -8.668 -4.886 1.00 0.00 H new ATOM 0 HB THR A 11 -5.113 -8.443 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.754 -9.533 -8.061 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.784 -7.126 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.899 -6.290 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.401 -7.141 -7.010 1.00 0.00 H new ATOM 173 N ALA A 12 -5.246 -6.998 -4.015 1.00 0.00 N ATOM 174 CA ALA A 12 -5.759 -5.793 -3.369 1.00 0.00 C ATOM 175 C ALA A 12 -5.268 -5.677 -1.930 1.00 0.00 C ATOM 176 O ALA A 12 -5.785 -4.881 -1.147 1.00 0.00 O ATOM 177 CB ALA A 12 -7.271 -5.887 -3.348 1.00 0.00 C ATOM 0 H ALA A 12 -5.966 -7.685 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.410 -4.921 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.684 -4.999 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.645 -5.957 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.573 -6.773 -2.789 1.00 0.00 H new ATOM 183 N LEU A 13 -4.262 -6.473 -1.604 1.00 0.00 N ATOM 184 CA LEU A 13 -3.669 -6.492 -0.265 1.00 0.00 C ATOM 185 C LEU A 13 -2.206 -6.057 -0.337 1.00 0.00 C ATOM 186 O LEU A 13 -1.691 -5.418 0.581 1.00 0.00 O ATOM 187 CB LEU A 13 -3.735 -7.926 0.294 1.00 0.00 C ATOM 188 CG LEU A 13 -5.088 -8.189 0.979 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.241 -7.725 0.074 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.225 -9.697 1.288 1.00 0.00 C ATOM 0 H LEU A 13 -3.829 -7.127 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.219 -5.808 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.587 -8.642 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.926 -8.079 1.008 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.133 -7.626 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.193 -7.917 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.143 -6.657 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.207 -8.272 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.183 -9.883 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.172 -10.265 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.417 -10.008 1.950 1.00 0.00 H new ATOM 202 N ARG A 14 -1.539 -6.438 -1.421 1.00 0.00 N ATOM 203 CA ARG A 14 -0.126 -6.116 -1.593 1.00 0.00 C ATOM 204 C ARG A 14 0.072 -4.627 -1.874 1.00 0.00 C ATOM 205 O ARG A 14 1.078 -4.040 -1.476 1.00 0.00 O ATOM 206 CB ARG A 14 0.468 -6.970 -2.734 1.00 0.00 C ATOM 207 CG ARG A 14 1.928 -7.328 -2.419 1.00 0.00 C ATOM 208 CD ARG A 14 2.575 -7.994 -3.635 1.00 0.00 C ATOM 209 NE ARG A 14 3.851 -8.590 -3.256 1.00 0.00 N ATOM 210 CZ ARG A 14 3.905 -9.768 -2.643 1.00 0.00 C ATOM 211 NH1 ARG A 14 2.805 -10.419 -2.384 1.00 0.00 N ATOM 212 NH2 ARG A 14 5.058 -10.277 -2.300 1.00 0.00 N ATOM 0 H ARG A 14 -1.950 -6.967 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 14 0.397 -6.347 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.119 -7.880 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.414 -6.422 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.482 -6.429 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.970 -7.999 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.911 -8.760 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.728 -7.258 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 14 4.717 -8.094 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.904 -10.024 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.846 -11.323 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.920 -9.770 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.097 -11.181 -1.830 1.00 0.00 H new ATOM 226 N ILE A 15 -0.894 -4.017 -2.551 1.00 0.00 N ATOM 227 CA ILE A 15 -0.803 -2.594 -2.858 1.00 0.00 C ATOM 228 C ILE A 15 -0.576 -1.806 -1.573 1.00 0.00 C ATOM 229 O ILE A 15 -0.180 -0.640 -1.606 1.00 0.00 O ATOM 230 CB ILE A 15 -2.095 -2.111 -3.526 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.459 -3.027 -4.703 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.909 -0.680 -4.031 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.262 -3.187 -5.646 1.00 0.00 C ATOM 0 H ILE A 15 -1.738 -4.477 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 15 0.032 -2.436 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.901 -2.138 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.769 -4.003 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.306 -2.610 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.829 -0.339 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.670 -0.026 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.095 -0.653 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.537 -3.839 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.971 -2.211 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.426 -3.625 -5.101 1.00 0.00 H new ATOM 245 N ALA A 16 -0.835 -2.456 -0.438 1.00 0.00 N ATOM 246 CA ALA A 16 -0.667 -1.823 0.864 1.00 0.00 C ATOM 247 C ALA A 16 0.668 -2.193 1.488 1.00 0.00 C ATOM 248 O ALA A 16 1.212 -1.431 2.286 1.00 0.00 O ATOM 249 CB ALA A 16 -1.813 -2.226 1.789 1.00 0.00 C ATOM 0 H ALA A 16 -1.162 -3.421 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.682 -0.742 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.681 -1.749 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.761 -1.908 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.816 -3.309 1.914 1.00 0.00 H new ATOM 255 N LEU A 17 1.219 -3.336 1.109 1.00 0.00 N ATOM 256 CA LEU A 17 2.513 -3.724 1.646 1.00 0.00 C ATOM 257 C LEU A 17 3.522 -2.660 1.240 1.00 0.00 C ATOM 258 O LEU A 17 4.399 -2.286 2.018 1.00 0.00 O ATOM 259 CB LEU A 17 2.934 -5.110 1.113 1.00 0.00 C ATOM 260 CG LEU A 17 2.472 -6.230 2.072 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.314 -6.225 3.366 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.982 -6.046 2.416 1.00 0.00 C ATOM 0 H LEU A 17 0.804 -3.995 0.450 1.00 0.00 H new ATOM 0 HA LEU A 17 2.462 -3.800 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.503 -5.271 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.017 -5.147 0.999 1.00 0.00 H new ATOM 0 HG LEU A 17 2.611 -7.189 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.971 -7.022 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.363 -6.386 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.203 -5.264 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.664 -6.839 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.836 -5.079 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.390 -6.089 1.502 1.00 0.00 H new ATOM 274 N ALA A 18 3.367 -2.160 0.019 1.00 0.00 N ATOM 275 CA ALA A 18 4.246 -1.117 -0.484 1.00 0.00 C ATOM 276 C ALA A 18 4.254 0.052 0.493 1.00 0.00 C ATOM 277 O ALA A 18 5.303 0.615 0.797 1.00 0.00 O ATOM 278 CB ALA A 18 3.761 -0.656 -1.860 1.00 0.00 C ATOM 0 H ALA A 18 2.644 -2.460 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 18 5.260 -1.505 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.421 0.126 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.769 -1.500 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.747 -0.265 -1.776 1.00 0.00 H new ATOM 284 N ALA A 19 3.074 0.398 0.997 1.00 0.00 N ATOM 285 CA ALA A 19 2.960 1.490 1.961 1.00 0.00 C ATOM 286 C ALA A 19 4.099 1.417 2.974 1.00 0.00 C ATOM 287 O ALA A 19 4.663 2.438 3.370 1.00 0.00 O ATOM 288 CB ALA A 19 1.627 1.406 2.685 1.00 0.00 C ATOM 0 H ALA A 19 2.192 -0.055 0.759 1.00 0.00 H new ATOM 0 HA ALA A 19 3.019 2.438 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.550 2.224 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.815 1.480 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.558 0.454 3.212 1.00 0.00 H new ATOM 294 N ARG A 20 4.441 0.194 3.374 1.00 0.00 N ATOM 295 CA ARG A 20 5.526 -0.010 4.325 1.00 0.00 C ATOM 296 C ARG A 20 6.850 0.406 3.696 1.00 0.00 C ATOM 297 O ARG A 20 7.681 1.045 4.340 1.00 0.00 O ATOM 298 CB ARG A 20 5.593 -1.483 4.742 1.00 0.00 C ATOM 299 CG ARG A 20 6.671 -1.666 5.815 1.00 0.00 C ATOM 300 CD ARG A 20 6.599 -3.088 6.378 1.00 0.00 C ATOM 301 NE ARG A 20 7.810 -3.396 7.130 1.00 0.00 N ATOM 302 CZ ARG A 20 8.079 -2.785 8.278 1.00 0.00 C ATOM 303 NH1 ARG A 20 7.244 -1.907 8.761 1.00 0.00 N ATOM 304 NH2 ARG A 20 9.177 -3.064 8.927 1.00 0.00 N ATOM 0 H ARG A 20 3.986 -0.662 3.057 1.00 0.00 H new ATOM 0 HA ARG A 20 5.339 0.600 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.625 -1.807 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.818 -2.106 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.657 -1.482 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.529 -0.940 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.727 -3.187 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.476 -3.803 5.564 1.00 0.00 H new ATOM 0 HE ARG A 20 8.461 -4.092 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.384 -1.690 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.451 -1.438 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.830 -3.752 8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.382 -2.594 9.809 1.00 0.00 H new ATOM 318 N ALA A 21 7.041 0.038 2.430 1.00 0.00 N ATOM 319 CA ALA A 21 8.271 0.374 1.718 1.00 0.00 C ATOM 320 C ALA A 21 8.510 1.872 1.724 1.00 0.00 C ATOM 321 O ALA A 21 9.539 2.343 1.245 1.00 0.00 O ATOM 322 CB ALA A 21 8.172 -0.080 0.264 1.00 0.00 C ATOM 0 H ALA A 21 6.364 -0.490 1.880 1.00 0.00 H new ATOM 0 HA ALA A 21 9.094 -0.131 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.093 0.174 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.021 -1.159 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.331 0.420 -0.217 1.00 0.00 H new ATOM 328 N LEU A 22 7.545 2.617 2.244 1.00 0.00 N ATOM 329 CA LEU A 22 7.639 4.075 2.286 1.00 0.00 C ATOM 330 C LEU A 22 7.519 4.579 3.734 1.00 0.00 C ATOM 331 O LEU A 22 6.420 4.582 4.288 1.00 0.00 O ATOM 332 CB LEU A 22 6.496 4.685 1.457 1.00 0.00 C ATOM 333 CG LEU A 22 6.229 3.878 0.169 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.904 4.355 -0.443 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.383 4.061 -0.847 1.00 0.00 C ATOM 0 H LEU A 22 6.686 2.239 2.644 1.00 0.00 H new ATOM 0 HA LEU A 22 8.605 4.373 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.588 4.719 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.745 5.714 1.196 1.00 0.00 H new ATOM 0 HG LEU A 22 6.167 2.818 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.701 3.793 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.095 4.194 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.974 5.417 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.171 3.482 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.475 5.115 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.316 3.714 -0.404 1.00 0.00 H new ATOM 347 N PRO A 23 8.592 5.006 4.367 1.00 0.00 N ATOM 348 CA PRO A 23 8.523 5.507 5.768 1.00 0.00 C ATOM 349 C PRO A 23 8.030 6.955 5.838 1.00 0.00 C ATOM 350 O PRO A 23 8.822 7.881 6.017 1.00 0.00 O ATOM 351 CB PRO A 23 9.969 5.381 6.257 1.00 0.00 C ATOM 352 CG PRO A 23 10.808 5.575 5.030 1.00 0.00 C ATOM 353 CD PRO A 23 9.975 5.061 3.842 1.00 0.00 C ATOM 0 HA PRO A 23 7.814 4.948 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.197 6.131 7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.150 4.406 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.064 6.626 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.746 5.026 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.049 5.729 2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.315 4.080 3.512 1.00 0.00 H new ATOM 361 N GLY A 24 6.717 7.140 5.700 1.00 0.00 N ATOM 362 CA GLY A 24 6.128 8.478 5.756 1.00 0.00 C ATOM 363 C GLY A 24 4.888 8.579 4.870 1.00 0.00 C ATOM 364 O GLY A 24 3.969 9.346 5.158 1.00 0.00 O ATOM 0 H GLY A 24 6.046 6.387 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.862 8.717 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.865 9.215 5.438 1.00 0.00 H new ATOM 368 N THR A 25 4.872 7.808 3.781 1.00 0.00 N ATOM 369 CA THR A 25 3.742 7.827 2.846 1.00 0.00 C ATOM 370 C THR A 25 2.757 6.700 3.144 1.00 0.00 C ATOM 371 O THR A 25 3.151 5.595 3.516 1.00 0.00 O ATOM 372 CB THR A 25 4.257 7.675 1.417 1.00 0.00 C ATOM 373 OG1 THR A 25 5.180 8.717 1.130 1.00 0.00 O ATOM 374 CG2 THR A 25 3.087 7.743 0.444 1.00 0.00 C ATOM 0 H THR A 25 5.622 7.166 3.525 1.00 0.00 H new ATOM 0 HA THR A 25 3.225 8.779 2.962 1.00 0.00 H new ATOM 0 HB THR A 25 4.757 6.712 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.511 8.617 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.455 7.634 -0.576 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.384 6.939 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.583 8.704 0.547 1.00 0.00 H new ATOM 382 N THR A 26 1.466 6.995 2.983 1.00 0.00 N ATOM 383 CA THR A 26 0.415 6.024 3.237 1.00 0.00 C ATOM 384 C THR A 26 0.116 5.188 1.984 1.00 0.00 C ATOM 385 O THR A 26 0.722 5.384 0.933 1.00 0.00 O ATOM 386 CB THR A 26 -0.842 6.790 3.689 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.458 8.077 4.148 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.530 6.046 4.825 1.00 0.00 C ATOM 0 H THR A 26 1.128 7.907 2.676 1.00 0.00 H new ATOM 0 HA THR A 26 0.736 5.331 4.015 1.00 0.00 H new ATOM 0 HB THR A 26 -1.530 6.876 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.257 8.627 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.417 6.597 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.821 5.052 4.485 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.845 5.955 5.668 1.00 0.00 H new ATOM 396 N VAL A 27 -0.812 4.248 2.122 1.00 0.00 N ATOM 397 CA VAL A 27 -1.180 3.370 1.011 1.00 0.00 C ATOM 398 C VAL A 27 -1.858 4.137 -0.120 1.00 0.00 C ATOM 399 O VAL A 27 -1.346 4.213 -1.237 1.00 0.00 O ATOM 400 CB VAL A 27 -2.161 2.285 1.479 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.380 1.275 0.332 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.639 1.562 2.751 1.00 0.00 C ATOM 0 H VAL A 27 -1.323 4.072 2.987 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.251 2.927 0.651 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.109 2.755 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.076 0.501 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.791 1.792 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.428 0.817 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.356 0.800 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.680 1.092 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.514 2.286 3.556 1.00 0.00 H new ATOM 412 N GLY A 28 -3.038 4.669 0.179 1.00 0.00 N ATOM 413 CA GLY A 28 -3.817 5.396 -0.817 1.00 0.00 C ATOM 414 C GLY A 28 -3.230 6.768 -1.114 1.00 0.00 C ATOM 415 O GLY A 28 -3.890 7.606 -1.729 1.00 0.00 O ATOM 0 H GLY A 28 -3.475 4.611 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.861 4.814 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.842 5.510 -0.463 1.00 0.00 H new ATOM 419 N GLN A 29 -1.994 7.007 -0.681 1.00 0.00 N ATOM 420 CA GLN A 29 -1.351 8.299 -0.923 1.00 0.00 C ATOM 421 C GLN A 29 -0.387 8.203 -2.103 1.00 0.00 C ATOM 422 O GLN A 29 0.039 9.221 -2.647 1.00 0.00 O ATOM 423 CB GLN A 29 -0.593 8.748 0.333 1.00 0.00 C ATOM 424 CG GLN A 29 -1.584 9.287 1.370 1.00 0.00 C ATOM 425 CD GLN A 29 -2.136 10.635 0.917 1.00 0.00 C ATOM 426 OE1 GLN A 29 -3.349 10.844 0.925 1.00 0.00 O ATOM 427 NE2 GLN A 29 -1.313 11.570 0.525 1.00 0.00 N ATOM 0 H GLN A 29 -1.424 6.335 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.122 9.033 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.034 7.911 0.751 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.133 9.519 0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.401 8.578 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.090 9.394 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.308 11.395 0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.675 12.475 0.225 1.00 0.00 H new ATOM 436 N LEU A 30 -0.031 6.977 -2.488 1.00 0.00 N ATOM 437 CA LEU A 30 0.906 6.775 -3.598 1.00 0.00 C ATOM 438 C LEU A 30 0.183 6.553 -4.927 1.00 0.00 C ATOM 439 O LEU A 30 0.770 6.742 -5.992 1.00 0.00 O ATOM 440 CB LEU A 30 1.816 5.576 -3.292 1.00 0.00 C ATOM 441 CG LEU A 30 1.030 4.241 -3.434 1.00 0.00 C ATOM 442 CD1 LEU A 30 1.338 3.574 -4.784 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.426 3.274 -2.308 1.00 0.00 C ATOM 0 H LEU A 30 -0.371 6.118 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 30 1.503 7.681 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.668 5.577 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.215 5.664 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.034 4.468 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.779 2.642 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.048 4.242 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.406 3.364 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.870 2.343 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.495 3.068 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.194 3.725 -1.343 1.00 0.00 H new ATOM 455 N LEU A 31 -1.086 6.149 -4.874 1.00 0.00 N ATOM 456 CA LEU A 31 -1.854 5.907 -6.103 1.00 0.00 C ATOM 457 C LEU A 31 -2.766 7.091 -6.429 1.00 0.00 C ATOM 458 O LEU A 31 -2.918 7.459 -7.595 1.00 0.00 O ATOM 459 CB LEU A 31 -2.679 4.617 -5.962 1.00 0.00 C ATOM 460 CG LEU A 31 -3.681 4.723 -4.779 1.00 0.00 C ATOM 461 CD1 LEU A 31 -5.084 5.068 -5.304 1.00 0.00 C ATOM 462 CD2 LEU A 31 -3.745 3.383 -4.023 1.00 0.00 C ATOM 0 H LEU A 31 -1.601 5.983 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.151 5.792 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.222 4.426 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.012 3.770 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.340 5.509 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.778 5.140 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.051 6.022 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.419 4.287 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.449 3.465 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.074 2.597 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.757 3.137 -3.635 1.00 0.00 H new ATOM 474 N GLU A 32 -3.377 7.679 -5.407 1.00 0.00 N ATOM 475 CA GLU A 32 -4.279 8.811 -5.622 1.00 0.00 C ATOM 476 C GLU A 32 -3.599 9.950 -6.385 1.00 0.00 C ATOM 477 O GLU A 32 -4.257 10.916 -6.776 1.00 0.00 O ATOM 478 CB GLU A 32 -4.801 9.337 -4.277 1.00 0.00 C ATOM 479 CG GLU A 32 -3.673 10.027 -3.501 1.00 0.00 C ATOM 480 CD GLU A 32 -4.155 10.390 -2.098 1.00 0.00 C ATOM 481 OE1 GLU A 32 -5.154 9.831 -1.674 1.00 0.00 O ATOM 482 OE2 GLU A 32 -3.520 11.222 -1.473 1.00 0.00 O ATOM 0 H GLU A 32 -3.269 7.398 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.111 8.450 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.618 10.039 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.205 8.513 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.807 9.368 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.353 10.925 -4.029 1.00 0.00 H new ATOM 489 N ILE A 33 -2.289 9.847 -6.593 1.00 0.00 N ATOM 490 CA ILE A 33 -1.560 10.895 -7.310 1.00 0.00 C ATOM 491 C ILE A 33 -2.339 11.351 -8.542 1.00 0.00 C ATOM 492 O ILE A 33 -2.563 12.544 -8.740 1.00 0.00 O ATOM 493 CB ILE A 33 -0.178 10.391 -7.732 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.595 9.930 -6.495 1.00 0.00 C ATOM 495 CG2 ILE A 33 0.596 11.521 -8.415 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.861 9.189 -6.929 1.00 0.00 C ATOM 0 H ILE A 33 -1.716 9.063 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.441 11.744 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.295 9.558 -8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.858 10.788 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.030 9.277 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.580 11.159 -8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.049 11.856 -9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.711 12.354 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.411 8.861 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.587 8.321 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.488 9.856 -7.520 1.00 0.00 H new ATOM 508 N LEU A 34 -2.751 10.392 -9.366 1.00 0.00 N ATOM 509 CA LEU A 34 -3.506 10.711 -10.574 1.00 0.00 C ATOM 510 C LEU A 34 -4.854 11.326 -10.208 1.00 0.00 C ATOM 511 O LEU A 34 -5.141 12.471 -10.556 1.00 0.00 O ATOM 512 CB LEU A 34 -3.724 9.440 -11.408 1.00 0.00 C ATOM 513 CG LEU A 34 -2.444 9.095 -12.177 1.00 0.00 C ATOM 514 CD1 LEU A 34 -1.266 9.000 -11.204 1.00 0.00 C ATOM 515 CD2 LEU A 34 -2.630 7.753 -12.890 1.00 0.00 C ATOM 0 H LEU A 34 -2.577 9.397 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.937 11.432 -11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.002 8.611 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.549 9.589 -12.105 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.240 9.875 -12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.358 8.755 -11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.135 9.956 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.465 8.222 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.722 7.503 -13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.835 6.975 -12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.466 7.823 -13.586 1.00 0.00 H new ATOM 527 N HIS A 35 -5.676 10.555 -9.501 1.00 0.00 N ATOM 528 CA HIS A 35 -6.994 11.030 -9.090 1.00 0.00 C ATOM 529 C HIS A 35 -7.492 10.237 -7.884 1.00 0.00 C ATOM 530 O HIS A 35 -6.940 10.346 -6.789 1.00 0.00 O ATOM 531 CB HIS A 35 -7.984 10.890 -10.248 1.00 0.00 C ATOM 532 CG HIS A 35 -7.493 11.686 -11.427 1.00 0.00 C ATOM 533 ND1 HIS A 35 -6.776 11.106 -12.463 1.00 0.00 N ATOM 534 CD2 HIS A 35 -7.608 13.015 -11.749 1.00 0.00 C ATOM 535 CE1 HIS A 35 -6.489 12.076 -13.349 1.00 0.00 C ATOM 536 NE2 HIS A 35 -6.973 13.259 -12.963 1.00 0.00 N ATOM 0 H HIS A 35 -5.455 9.605 -9.202 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.915 12.081 -8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.092 9.841 -10.523 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.969 11.242 -9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.114 13.758 -11.151 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.934 11.917 -14.262 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.894 14.150 -13.453 1.00 0.00 H new ATOM 545 N GLN A 36 -8.537 9.438 -8.088 1.00 0.00 N ATOM 546 CA GLN A 36 -9.091 8.634 -7.005 1.00 0.00 C ATOM 547 C GLN A 36 -9.956 7.505 -7.566 1.00 0.00 C ATOM 548 O GLN A 36 -9.565 6.824 -8.514 1.00 0.00 O ATOM 549 CB GLN A 36 -9.925 9.523 -6.070 1.00 0.00 C ATOM 550 CG GLN A 36 -10.039 8.868 -4.686 1.00 0.00 C ATOM 551 CD GLN A 36 -11.175 9.509 -3.896 1.00 0.00 C ATOM 552 OE1 GLN A 36 -11.610 10.615 -4.216 1.00 0.00 O ATOM 553 NE2 GLN A 36 -11.685 8.875 -2.875 1.00 0.00 N ATOM 0 H GLN A 36 -9.012 9.331 -8.984 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.270 8.193 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.461 10.505 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.918 9.677 -6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.219 7.799 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.100 8.979 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.323 7.958 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.445 9.296 -2.341 1.00 0.00 H new ATOM 562 N ARG A 37 -11.132 7.310 -6.970 1.00 0.00 N ATOM 563 CA ARG A 37 -12.051 6.258 -7.409 1.00 0.00 C ATOM 564 C ARG A 37 -13.117 6.826 -8.342 1.00 0.00 C ATOM 565 O ARG A 37 -14.249 7.074 -7.928 1.00 0.00 O ATOM 566 CB ARG A 37 -12.726 5.623 -6.192 1.00 0.00 C ATOM 567 CG ARG A 37 -13.426 4.327 -6.610 1.00 0.00 C ATOM 568 CD ARG A 37 -13.976 3.624 -5.368 1.00 0.00 C ATOM 569 NE ARG A 37 -14.770 2.463 -5.755 1.00 0.00 N ATOM 570 CZ ARG A 37 -15.613 1.893 -4.900 1.00 0.00 C ATOM 571 NH1 ARG A 37 -15.740 2.370 -3.692 1.00 0.00 N ATOM 572 NH2 ARG A 37 -16.312 0.854 -5.268 1.00 0.00 N ATOM 0 H ARG A 37 -11.471 7.865 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.479 5.504 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.985 5.415 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.449 6.316 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.236 4.546 -7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.726 3.674 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.154 3.313 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.589 4.316 -4.791 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.677 2.083 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.192 3.181 -3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.387 1.932 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.211 0.480 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.959 0.416 -4.612 1.00 0.00 H new ATOM 586 N ILE A 38 -12.749 7.026 -9.605 1.00 0.00 N ATOM 587 CA ILE A 38 -13.683 7.561 -10.591 1.00 0.00 C ATOM 588 C ILE A 38 -14.550 6.443 -11.163 1.00 0.00 C ATOM 589 O ILE A 38 -15.730 6.327 -10.834 1.00 0.00 O ATOM 590 CB ILE A 38 -12.916 8.240 -11.726 1.00 0.00 C ATOM 591 CG1 ILE A 38 -11.858 9.178 -11.140 1.00 0.00 C ATOM 592 CG2 ILE A 38 -13.888 9.046 -12.590 1.00 0.00 C ATOM 593 CD1 ILE A 38 -11.077 9.839 -12.275 1.00 0.00 C ATOM 0 H ILE A 38 -11.817 6.827 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.323 8.292 -10.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.429 7.481 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -12.334 9.938 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.180 8.620 -10.494 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.341 9.530 -13.399 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.641 8.379 -13.010 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.376 9.804 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.324 10.507 -11.857 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.589 9.072 -12.876 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.761 10.411 -12.903 1.00 0.00 H new ATOM 605 N GLU A 39 -13.952 5.624 -12.021 1.00 0.00 N ATOM 606 CA GLU A 39 -14.672 4.515 -12.636 1.00 0.00 C ATOM 607 C GLU A 39 -13.692 3.498 -13.210 1.00 0.00 C ATOM 608 O GLU A 39 -12.487 3.579 -12.971 1.00 0.00 O ATOM 609 CB GLU A 39 -15.594 5.031 -13.747 1.00 0.00 C ATOM 610 CG GLU A 39 -14.794 5.868 -14.752 1.00 0.00 C ATOM 611 CD GLU A 39 -13.978 4.958 -15.663 1.00 0.00 C ATOM 612 OE1 GLU A 39 -14.580 4.253 -16.456 1.00 0.00 O ATOM 613 OE2 GLU A 39 -12.763 4.979 -15.554 1.00 0.00 O ATOM 0 H GLU A 39 -12.976 5.706 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.276 4.030 -11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.067 4.191 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.394 5.633 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.472 6.479 -15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.132 6.552 -14.221 1.00 0.00 H new ATOM 620 N GLY A 40 -14.215 2.539 -13.966 1.00 0.00 N ATOM 621 CA GLY A 40 -13.373 1.511 -14.566 1.00 0.00 C ATOM 622 C GLY A 40 -12.697 0.665 -13.491 1.00 0.00 C ATOM 623 O GLY A 40 -12.842 0.929 -12.298 1.00 0.00 O ATOM 0 H GLY A 40 -15.209 2.452 -14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.976 0.872 -15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.616 1.978 -15.197 1.00 0.00 H new ATOM 627 N PRO A 41 -11.967 -0.342 -13.894 1.00 0.00 N ATOM 628 CA PRO A 41 -11.251 -1.250 -12.952 1.00 0.00 C ATOM 629 C PRO A 41 -9.948 -0.637 -12.440 1.00 0.00 C ATOM 630 O PRO A 41 -9.621 0.506 -12.756 1.00 0.00 O ATOM 631 CB PRO A 41 -10.985 -2.490 -13.810 1.00 0.00 C ATOM 632 CG PRO A 41 -10.822 -1.956 -15.199 1.00 0.00 C ATOM 633 CD PRO A 41 -11.741 -0.730 -15.299 1.00 0.00 C ATOM 0 HA PRO A 41 -11.826 -1.461 -12.050 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.090 -3.017 -13.480 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.812 -3.198 -13.751 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.785 -1.681 -15.391 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.095 -2.708 -15.939 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.273 0.075 -15.866 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.677 -0.972 -15.802 1.00 0.00 H new ATOM 641 N LEU A 42 -9.208 -1.412 -11.652 1.00 0.00 N ATOM 642 CA LEU A 42 -7.939 -0.945 -11.103 1.00 0.00 C ATOM 643 C LEU A 42 -7.077 -2.139 -10.693 1.00 0.00 C ATOM 644 O LEU A 42 -7.043 -2.525 -9.524 1.00 0.00 O ATOM 645 CB LEU A 42 -8.199 -0.027 -9.895 1.00 0.00 C ATOM 646 CG LEU A 42 -7.047 0.973 -9.723 1.00 0.00 C ATOM 647 CD1 LEU A 42 -7.306 1.840 -8.491 1.00 0.00 C ATOM 648 CD2 LEU A 42 -5.726 0.217 -9.545 1.00 0.00 C ATOM 0 H LEU A 42 -9.464 -2.361 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.405 -0.377 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.137 0.510 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.306 -0.627 -8.991 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.984 1.605 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.489 2.551 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.243 2.383 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.372 1.206 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.912 0.931 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.787 -0.418 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.539 -0.400 -10.424 1.00 0.00 H new ATOM 660 N THR A 43 -6.387 -2.725 -11.669 1.00 0.00 N ATOM 661 CA THR A 43 -5.527 -3.881 -11.411 1.00 0.00 C ATOM 662 C THR A 43 -4.090 -3.436 -11.169 1.00 0.00 C ATOM 663 O THR A 43 -3.694 -2.337 -11.559 1.00 0.00 O ATOM 664 CB THR A 43 -5.567 -4.834 -12.608 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.658 -4.379 -13.601 1.00 0.00 O ATOM 666 CG2 THR A 43 -6.981 -4.871 -13.187 1.00 0.00 C ATOM 0 H THR A 43 -6.405 -2.421 -12.642 1.00 0.00 H new ATOM 0 HA THR A 43 -5.894 -4.392 -10.521 1.00 0.00 H new ATOM 0 HB THR A 43 -5.284 -5.836 -12.286 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.680 -4.988 -14.368 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.008 -5.550 -14.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.678 -5.219 -12.424 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.268 -3.871 -13.511 1.00 0.00 H new ATOM 674 N GLU A 44 -3.316 -4.301 -10.527 1.00 0.00 N ATOM 675 CA GLU A 44 -1.922 -3.996 -10.237 1.00 0.00 C ATOM 676 C GLU A 44 -1.187 -3.598 -11.514 1.00 0.00 C ATOM 677 O GLU A 44 -0.149 -2.937 -11.465 1.00 0.00 O ATOM 678 CB GLU A 44 -1.246 -5.218 -9.611 1.00 0.00 C ATOM 679 CG GLU A 44 -1.298 -6.392 -10.592 1.00 0.00 C ATOM 680 CD GLU A 44 -0.974 -7.692 -9.865 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.607 -7.623 -8.704 1.00 0.00 O ATOM 682 OE2 GLU A 44 -1.099 -8.738 -10.480 1.00 0.00 O ATOM 0 H GLU A 44 -3.628 -5.215 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.884 -3.161 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.211 -4.985 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.746 -5.486 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.288 -6.455 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.587 -6.232 -11.402 1.00 0.00 H new ATOM 689 N GLU A 45 -1.733 -4.007 -12.656 1.00 0.00 N ATOM 690 CA GLU A 45 -1.121 -3.693 -13.944 1.00 0.00 C ATOM 691 C GLU A 45 -1.492 -2.283 -14.397 1.00 0.00 C ATOM 692 O GLU A 45 -0.695 -1.597 -15.037 1.00 0.00 O ATOM 693 CB GLU A 45 -1.587 -4.699 -14.999 1.00 0.00 C ATOM 694 CG GLU A 45 -1.181 -6.112 -14.575 1.00 0.00 C ATOM 695 CD GLU A 45 -1.627 -7.119 -15.630 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.382 -6.872 -16.800 1.00 0.00 O ATOM 697 OE2 GLU A 45 -2.208 -8.124 -15.253 1.00 0.00 O ATOM 0 H GLU A 45 -2.592 -4.553 -12.716 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.039 -3.750 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.669 -4.641 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.146 -4.458 -15.966 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.100 -6.165 -14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.632 -6.356 -13.613 1.00 0.00 H new ATOM 704 N SER A 46 -2.708 -1.860 -14.072 1.00 0.00 N ATOM 705 CA SER A 46 -3.177 -0.534 -14.462 1.00 0.00 C ATOM 706 C SER A 46 -2.289 0.564 -13.880 1.00 0.00 C ATOM 707 O SER A 46 -2.116 1.619 -14.490 1.00 0.00 O ATOM 708 CB SER A 46 -4.615 -0.331 -13.985 1.00 0.00 C ATOM 709 OG SER A 46 -4.972 1.036 -14.144 1.00 0.00 O ATOM 0 H SER A 46 -3.384 -2.411 -13.543 1.00 0.00 H new ATOM 0 HA SER A 46 -3.134 -0.470 -15.549 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.293 -0.965 -14.556 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.709 -0.624 -12.939 1.00 0.00 H new ATOM 0 HG SER A 46 -5.894 1.171 -13.841 1.00 0.00 H new ATOM 715 N LEU A 47 -1.736 0.320 -12.696 1.00 0.00 N ATOM 716 CA LEU A 47 -0.879 1.309 -12.048 1.00 0.00 C ATOM 717 C LEU A 47 0.444 1.456 -12.801 1.00 0.00 C ATOM 718 O LEU A 47 1.264 2.314 -12.474 1.00 0.00 O ATOM 719 CB LEU A 47 -0.621 0.900 -10.587 1.00 0.00 C ATOM 720 CG LEU A 47 -0.271 2.140 -9.734 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.551 2.843 -9.261 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.535 1.708 -8.504 1.00 0.00 C ATOM 0 H LEU A 47 -1.863 -0.544 -12.170 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.387 2.273 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.504 0.408 -10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.195 0.179 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 47 0.315 2.826 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.287 3.714 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.133 3.161 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.143 2.154 -8.659 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.781 2.584 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.056 1.014 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.455 1.219 -8.825 1.00 0.00 H new ATOM 734 N GLN A 48 0.637 0.617 -13.816 1.00 0.00 N ATOM 735 CA GLN A 48 1.857 0.661 -14.621 1.00 0.00 C ATOM 736 C GLN A 48 1.723 1.692 -15.740 1.00 0.00 C ATOM 737 O GLN A 48 1.593 1.330 -16.910 1.00 0.00 O ATOM 738 CB GLN A 48 2.133 -0.713 -15.238 1.00 0.00 C ATOM 739 CG GLN A 48 2.132 -1.784 -14.144 1.00 0.00 C ATOM 740 CD GLN A 48 2.338 -3.162 -14.766 1.00 0.00 C ATOM 741 OE1 GLN A 48 2.085 -3.340 -16.035 1.00 0.00 O flip ATOM 742 NE2 GLN A 48 2.740 -4.100 -14.080 1.00 0.00 N flip ATOM 0 H GLN A 48 -0.032 -0.099 -14.100 1.00 0.00 H new ATOM 0 HA GLN A 48 2.684 0.942 -13.969 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.375 -0.944 -15.986 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.095 -0.705 -15.750 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.923 -1.579 -13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.188 -1.759 -13.599 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.937 -3.959 -13.089 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.876 -5.019 -14.502 1.00 0.00 H new ATOM 751 N GLY A 49 1.747 2.978 -15.384 1.00 0.00 N ATOM 752 CA GLY A 49 1.619 4.040 -16.386 1.00 0.00 C ATOM 753 C GLY A 49 2.378 5.298 -15.973 1.00 0.00 C ATOM 754 O GLY A 49 2.265 6.338 -16.624 1.00 0.00 O ATOM 0 H GLY A 49 1.852 3.307 -14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.998 3.684 -17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.566 4.281 -16.529 1.00 0.00 H new ATOM 758 N VAL A 50 3.147 5.203 -14.885 1.00 0.00 N ATOM 759 CA VAL A 50 3.922 6.347 -14.387 1.00 0.00 C ATOM 760 C VAL A 50 5.394 5.950 -14.188 1.00 0.00 C ATOM 761 O VAL A 50 5.766 4.794 -14.392 1.00 0.00 O ATOM 762 CB VAL A 50 3.284 6.840 -13.059 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.952 6.178 -11.842 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.412 8.364 -12.936 1.00 0.00 C ATOM 0 H VAL A 50 3.251 4.351 -14.333 1.00 0.00 H new ATOM 0 HA VAL A 50 3.900 7.158 -15.114 1.00 0.00 H new ATOM 0 HB VAL A 50 2.230 6.561 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.485 6.543 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.832 5.096 -11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.014 6.425 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.960 8.693 -12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.466 8.643 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.901 8.841 -13.773 1.00 0.00 H new ATOM 774 N SER A 51 6.217 6.918 -13.777 1.00 0.00 N ATOM 775 CA SER A 51 7.645 6.683 -13.531 1.00 0.00 C ATOM 776 C SER A 51 7.918 6.831 -12.042 1.00 0.00 C ATOM 777 O SER A 51 7.105 7.412 -11.335 1.00 0.00 O ATOM 778 CB SER A 51 8.487 7.703 -14.302 1.00 0.00 C ATOM 779 OG SER A 51 8.462 7.388 -15.689 1.00 0.00 O ATOM 0 H SER A 51 5.918 7.878 -13.606 1.00 0.00 H new ATOM 0 HA SER A 51 7.909 5.680 -13.865 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.098 8.708 -14.140 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.513 7.695 -13.935 1.00 0.00 H new ATOM 0 HG SER A 51 9.000 8.042 -16.183 1.00 0.00 H new ATOM 785 N VAL A 52 9.055 6.314 -11.572 1.00 0.00 N ATOM 786 CA VAL A 52 9.398 6.406 -10.152 1.00 0.00 C ATOM 787 C VAL A 52 9.425 7.869 -9.682 1.00 0.00 C ATOM 788 O VAL A 52 8.933 8.190 -8.601 1.00 0.00 O ATOM 789 CB VAL A 52 10.766 5.731 -9.890 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.435 6.317 -8.631 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.558 4.220 -9.695 1.00 0.00 C ATOM 0 H VAL A 52 9.747 5.833 -12.147 1.00 0.00 H new ATOM 0 HA VAL A 52 8.630 5.884 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 52 11.414 5.915 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.395 5.827 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.592 7.387 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.792 6.152 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.520 3.741 -9.510 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.899 4.050 -8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.108 3.796 -10.593 1.00 0.00 H new ATOM 801 N THR A 53 10.031 8.738 -10.479 1.00 0.00 N ATOM 802 CA THR A 53 10.144 10.147 -10.108 1.00 0.00 C ATOM 803 C THR A 53 8.779 10.779 -9.842 1.00 0.00 C ATOM 804 O THR A 53 8.693 11.792 -9.169 1.00 0.00 O ATOM 805 CB THR A 53 10.864 10.921 -11.220 1.00 0.00 C ATOM 806 OG1 THR A 53 12.253 10.629 -11.169 1.00 0.00 O ATOM 807 CG2 THR A 53 10.653 12.428 -11.032 1.00 0.00 C ATOM 0 H THR A 53 10.449 8.499 -11.378 1.00 0.00 H new ATOM 0 HA THR A 53 10.720 10.200 -9.184 1.00 0.00 H new ATOM 0 HB THR A 53 10.458 10.622 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.717 11.120 -11.879 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.168 12.969 -11.826 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.587 12.654 -11.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.054 12.734 -10.066 1.00 0.00 H new ATOM 815 N ASP A 54 7.725 10.203 -10.377 1.00 0.00 N ATOM 816 CA ASP A 54 6.393 10.764 -10.179 1.00 0.00 C ATOM 817 C ASP A 54 5.855 10.433 -8.788 1.00 0.00 C ATOM 818 O ASP A 54 5.050 11.177 -8.225 1.00 0.00 O ATOM 819 CB ASP A 54 5.440 10.228 -11.238 1.00 0.00 C ATOM 820 CG ASP A 54 4.093 10.934 -11.126 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.286 10.502 -10.320 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.887 11.894 -11.849 1.00 0.00 O ATOM 0 H ASP A 54 7.755 9.357 -10.946 1.00 0.00 H new ATOM 0 HA ASP A 54 6.467 11.848 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.861 10.384 -12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.309 9.153 -11.112 1.00 0.00 H new ATOM 827 N LEU A 55 6.268 9.290 -8.265 1.00 0.00 N ATOM 828 CA LEU A 55 5.794 8.830 -6.959 1.00 0.00 C ATOM 829 C LEU A 55 6.262 9.740 -5.820 1.00 0.00 C ATOM 830 O LEU A 55 5.443 10.351 -5.137 1.00 0.00 O ATOM 831 CB LEU A 55 6.288 7.401 -6.690 1.00 0.00 C ATOM 832 CG LEU A 55 5.596 6.405 -7.640 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.942 6.742 -9.092 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.079 4.981 -7.315 1.00 0.00 C ATOM 0 H LEU A 55 6.929 8.661 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 55 4.705 8.855 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.368 7.352 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.084 7.128 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 55 4.516 6.469 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.449 6.033 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.603 7.752 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.021 6.681 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.593 4.270 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.159 4.924 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.827 4.738 -6.283 1.00 0.00 H new ATOM 846 N LYS A 56 7.575 9.804 -5.595 1.00 0.00 N ATOM 847 CA LYS A 56 8.118 10.617 -4.499 1.00 0.00 C ATOM 848 C LYS A 56 7.630 12.065 -4.530 1.00 0.00 C ATOM 849 O LYS A 56 7.450 12.681 -3.480 1.00 0.00 O ATOM 850 CB LYS A 56 9.646 10.615 -4.554 1.00 0.00 C ATOM 851 CG LYS A 56 10.198 11.490 -3.425 1.00 0.00 C ATOM 852 CD LYS A 56 11.663 11.134 -3.154 1.00 0.00 C ATOM 853 CE LYS A 56 12.447 11.141 -4.467 1.00 0.00 C ATOM 854 NZ LYS A 56 13.901 11.245 -4.173 1.00 0.00 N ATOM 0 H LYS A 56 8.277 9.311 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 56 7.760 10.165 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.023 9.597 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.986 10.990 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.115 12.543 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.607 11.346 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.098 11.849 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.728 10.152 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.243 10.230 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.130 11.978 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.436 11.250 -5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.088 12.126 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.198 10.432 -3.596 1.00 0.00 H new ATOM 868 N ILE A 57 7.430 12.606 -5.723 1.00 0.00 N ATOM 869 CA ILE A 57 6.975 13.988 -5.860 1.00 0.00 C ATOM 870 C ILE A 57 5.461 14.079 -5.722 1.00 0.00 C ATOM 871 O ILE A 57 4.919 15.150 -5.468 1.00 0.00 O ATOM 872 CB ILE A 57 7.438 14.557 -7.209 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.595 13.967 -8.350 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.909 14.180 -7.402 1.00 0.00 C ATOM 875 CD1 ILE A 57 7.156 14.407 -9.711 1.00 0.00 C ATOM 0 H ILE A 57 7.573 12.116 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 57 7.415 14.583 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 57 7.318 15.640 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.593 12.879 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.560 14.294 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.263 14.573 -8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.502 14.603 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.010 13.095 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.549 13.981 -10.510 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.134 15.495 -9.779 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.184 14.058 -9.811 1.00 0.00 H new ATOM 887 N GLY A 58 4.780 12.953 -5.895 1.00 0.00 N ATOM 888 CA GLY A 58 3.328 12.932 -5.789 1.00 0.00 C ATOM 889 C GLY A 58 2.870 13.279 -4.375 1.00 0.00 C ATOM 890 O GLY A 58 1.809 13.876 -4.192 1.00 0.00 O ATOM 0 H GLY A 58 5.206 12.051 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.899 13.641 -6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.956 11.945 -6.062 1.00 0.00 H new ATOM 894 N LEU A 59 3.658 12.889 -3.375 1.00 0.00 N ATOM 895 CA LEU A 59 3.294 13.158 -1.985 1.00 0.00 C ATOM 896 C LEU A 59 3.608 14.595 -1.592 1.00 0.00 C ATOM 897 O LEU A 59 2.716 15.325 -1.160 1.00 0.00 O ATOM 898 CB LEU A 59 4.029 12.199 -1.037 1.00 0.00 C ATOM 899 CG LEU A 59 3.733 10.728 -1.392 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.217 10.496 -1.502 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.417 10.337 -2.720 1.00 0.00 C ATOM 0 H LEU A 59 4.541 12.393 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 59 2.219 13.002 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.102 12.380 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.725 12.396 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 59 4.132 10.102 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.026 9.453 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.743 10.733 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.806 11.138 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.195 9.295 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.045 10.974 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.495 10.466 -2.626 1.00 0.00 H new ATOM 913 N ALA A 60 4.864 15.007 -1.730 1.00 0.00 N ATOM 914 CA ALA A 60 5.235 16.367 -1.370 1.00 0.00 C ATOM 915 C ALA A 60 4.711 17.345 -2.410 1.00 0.00 C ATOM 916 O ALA A 60 4.351 18.476 -2.085 1.00 0.00 O ATOM 917 CB ALA A 60 6.757 16.489 -1.257 1.00 0.00 C ATOM 0 H ALA A 60 5.628 14.430 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 60 4.790 16.606 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.021 17.512 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.121 15.806 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.214 16.237 -2.214 1.00 0.00 H new ATOM 923 N GLY A 61 4.657 16.902 -3.666 1.00 0.00 N ATOM 924 CA GLY A 61 4.156 17.760 -4.740 1.00 0.00 C ATOM 925 C GLY A 61 5.254 18.666 -5.292 1.00 0.00 C ATOM 926 O GLY A 61 5.033 19.394 -6.260 1.00 0.00 O ATOM 0 H GLY A 61 4.948 15.970 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.755 17.142 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.334 18.370 -4.366 1.00 0.00 H new ATOM 930 N SER A 62 6.435 18.628 -4.672 1.00 0.00 N ATOM 931 CA SER A 62 7.553 19.467 -5.118 1.00 0.00 C ATOM 932 C SER A 62 8.868 18.700 -5.111 1.00 0.00 C ATOM 933 O SER A 62 9.510 18.555 -4.072 1.00 0.00 O ATOM 934 CB SER A 62 7.675 20.695 -4.215 1.00 0.00 C ATOM 935 OG SER A 62 6.496 21.480 -4.330 1.00 0.00 O ATOM 0 H SER A 62 6.643 18.034 -3.869 1.00 0.00 H new ATOM 0 HA SER A 62 7.346 19.778 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.821 20.387 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.547 21.284 -4.498 1.00 0.00 H new ATOM 0 HG SER A 62 6.570 22.267 -3.751 1.00 0.00 H new ATOM 941 N GLU A 63 9.269 18.226 -6.287 1.00 0.00 N ATOM 942 CA GLU A 63 10.516 17.489 -6.422 1.00 0.00 C ATOM 943 C GLU A 63 11.667 18.258 -5.790 1.00 0.00 C ATOM 944 O GLU A 63 12.774 17.739 -5.660 1.00 0.00 O ATOM 945 CB GLU A 63 10.811 17.219 -7.906 1.00 0.00 C ATOM 946 CG GLU A 63 11.253 18.512 -8.608 1.00 0.00 C ATOM 947 CD GLU A 63 10.276 19.643 -8.305 1.00 0.00 C ATOM 948 OE1 GLU A 63 9.101 19.477 -8.590 1.00 0.00 O ATOM 949 OE2 GLU A 63 10.716 20.657 -7.790 1.00 0.00 O ATOM 0 H GLU A 63 8.748 18.340 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 63 10.412 16.537 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.591 16.463 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.922 16.819 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.254 18.789 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.307 18.349 -9.684 1.00 0.00 H new ATOM 956 N GLU A 64 11.400 19.499 -5.395 1.00 0.00 N ATOM 957 CA GLU A 64 12.422 20.329 -4.774 1.00 0.00 C ATOM 958 C GLU A 64 12.461 20.104 -3.265 1.00 0.00 C ATOM 959 O GLU A 64 13.537 20.055 -2.667 1.00 0.00 O ATOM 960 CB GLU A 64 12.131 21.803 -5.056 1.00 0.00 C ATOM 961 CG GLU A 64 13.223 22.669 -4.425 1.00 0.00 C ATOM 962 CD GLU A 64 13.060 24.119 -4.866 1.00 0.00 C ATOM 963 OE1 GLU A 64 13.271 24.389 -6.037 1.00 0.00 O ATOM 964 OE2 GLU A 64 12.726 24.939 -4.026 1.00 0.00 O ATOM 0 H GLU A 64 10.490 19.948 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 64 13.389 20.054 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.090 21.977 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.156 22.076 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.168 22.603 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.206 22.300 -4.718 1.00 0.00 H new ATOM 971 N ASP A 65 11.285 19.994 -2.642 1.00 0.00 N ATOM 972 CA ASP A 65 11.203 19.808 -1.193 1.00 0.00 C ATOM 973 C ASP A 65 11.212 18.336 -0.790 1.00 0.00 C ATOM 974 O ASP A 65 11.476 18.016 0.367 1.00 0.00 O ATOM 975 CB ASP A 65 9.918 20.453 -0.666 1.00 0.00 C ATOM 976 CG ASP A 65 10.000 21.967 -0.799 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.788 22.459 -1.895 1.00 0.00 O ATOM 978 OD2 ASP A 65 10.275 22.615 0.198 1.00 0.00 O ATOM 0 H ASP A 65 10.382 20.030 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 65 12.085 20.280 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.059 20.077 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.766 20.180 0.378 1.00 0.00 H new ATOM 983 N VAL A 66 10.920 17.439 -1.725 1.00 0.00 N ATOM 984 CA VAL A 66 10.900 16.015 -1.395 1.00 0.00 C ATOM 985 C VAL A 66 12.137 15.623 -0.596 1.00 0.00 C ATOM 986 O VAL A 66 12.132 14.626 0.125 1.00 0.00 O ATOM 987 CB VAL A 66 10.822 15.151 -2.653 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.448 15.290 -3.296 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.882 15.578 -3.665 1.00 0.00 C ATOM 0 H VAL A 66 10.699 17.662 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 66 10.009 15.841 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 66 10.995 14.115 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.401 14.671 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.682 14.967 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.276 16.332 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.810 14.951 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.722 16.620 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.872 15.469 -3.223 1.00 0.00 H new ATOM 999 N ASP A 67 13.196 16.409 -0.728 1.00 0.00 N ATOM 1000 CA ASP A 67 14.431 16.125 -0.011 1.00 0.00 C ATOM 1001 C ASP A 67 14.148 15.906 1.474 1.00 0.00 C ATOM 1002 O ASP A 67 14.802 15.091 2.125 1.00 0.00 O ATOM 1003 CB ASP A 67 15.414 17.285 -0.181 1.00 0.00 C ATOM 1004 CG ASP A 67 16.687 17.010 0.612 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.798 15.925 1.161 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.533 17.887 0.659 1.00 0.00 O ATOM 0 H ASP A 67 13.226 17.240 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 67 14.869 15.217 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.654 17.417 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.956 18.213 0.161 1.00 0.00 H new ATOM 1011 N MET A 68 13.168 16.634 2.003 1.00 0.00 N ATOM 1012 CA MET A 68 12.806 16.504 3.414 1.00 0.00 C ATOM 1013 C MET A 68 11.872 15.312 3.623 1.00 0.00 C ATOM 1014 O MET A 68 11.910 14.658 4.665 1.00 0.00 O ATOM 1015 CB MET A 68 12.130 17.795 3.905 1.00 0.00 C ATOM 1016 CG MET A 68 10.681 17.870 3.401 1.00 0.00 C ATOM 1017 SD MET A 68 9.592 16.995 4.550 1.00 0.00 S ATOM 1018 CE MET A 68 8.061 17.204 3.606 1.00 0.00 C ATOM 0 H MET A 68 12.614 17.314 1.483 1.00 0.00 H new ATOM 0 HA MET A 68 13.716 16.336 3.990 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.144 17.828 4.994 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.689 18.662 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.370 18.911 3.311 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.608 17.428 2.407 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.237 16.731 4.140 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.851 18.267 3.484 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.172 16.741 2.626 1.00 0.00 H new ATOM 1028 N LEU A 69 11.036 15.039 2.625 1.00 0.00 N ATOM 1029 CA LEU A 69 10.097 13.926 2.711 1.00 0.00 C ATOM 1030 C LEU A 69 10.827 12.655 3.139 1.00 0.00 C ATOM 1031 O LEU A 69 11.709 12.164 2.435 1.00 0.00 O ATOM 1032 CB LEU A 69 9.418 13.712 1.354 1.00 0.00 C ATOM 1033 CG LEU A 69 8.272 12.692 1.483 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.095 13.290 2.278 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.792 12.303 0.080 1.00 0.00 C ATOM 0 H LEU A 69 10.990 15.569 1.754 1.00 0.00 H new ATOM 0 HA LEU A 69 9.336 14.160 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.030 14.660 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.148 13.358 0.626 1.00 0.00 H new ATOM 0 HG LEU A 69 8.638 11.814 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.297 12.552 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.433 13.566 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.721 14.175 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.980 11.580 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.437 13.191 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.618 11.860 -0.477 1.00 0.00 H new ATOM 1047 N ASP A 70 10.461 12.143 4.309 1.00 0.00 N ATOM 1048 CA ASP A 70 11.087 10.940 4.849 1.00 0.00 C ATOM 1049 C ASP A 70 11.291 9.873 3.775 1.00 0.00 C ATOM 1050 O ASP A 70 12.188 9.042 3.891 1.00 0.00 O ATOM 1051 CB ASP A 70 10.222 10.370 5.974 1.00 0.00 C ATOM 1052 CG ASP A 70 10.190 11.337 7.151 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.109 11.293 7.953 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.250 12.110 7.234 1.00 0.00 O ATOM 0 H ASP A 70 9.734 12.542 4.902 1.00 0.00 H new ATOM 0 HA ASP A 70 12.067 11.221 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.210 10.193 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.618 9.407 6.295 1.00 0.00 H new ATOM 1059 N THR A 71 10.457 9.894 2.739 1.00 0.00 N ATOM 1060 CA THR A 71 10.566 8.905 1.664 1.00 0.00 C ATOM 1061 C THR A 71 11.926 9.022 0.953 1.00 0.00 C ATOM 1062 O THR A 71 12.171 10.024 0.280 1.00 0.00 O ATOM 1063 CB THR A 71 9.449 9.125 0.635 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.217 9.342 1.310 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.329 7.895 -0.269 1.00 0.00 C ATOM 0 H THR A 71 9.707 10.574 2.619 1.00 0.00 H new ATOM 0 HA THR A 71 10.476 7.913 2.106 1.00 0.00 H new ATOM 0 HB THR A 71 9.687 9.997 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.489 8.923 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.535 8.055 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.273 7.733 -0.790 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.094 7.020 0.337 1.00 0.00 H new ATOM 1073 N PRO A 72 12.816 8.048 1.061 1.00 0.00 N ATOM 1074 CA PRO A 72 14.142 8.127 0.376 1.00 0.00 C ATOM 1075 C PRO A 72 14.014 7.911 -1.135 1.00 0.00 C ATOM 1076 O PRO A 72 12.944 8.117 -1.708 1.00 0.00 O ATOM 1077 CB PRO A 72 14.964 7.017 1.049 1.00 0.00 C ATOM 1078 CG PRO A 72 13.955 6.003 1.478 1.00 0.00 C ATOM 1079 CD PRO A 72 12.682 6.785 1.828 1.00 0.00 C ATOM 0 HA PRO A 72 14.608 9.107 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.688 6.586 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.526 7.401 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.763 5.284 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.313 5.438 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.785 6.237 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.611 6.974 2.899 1.00 0.00 H new ATOM 1087 N MET A 73 15.110 7.504 -1.778 1.00 0.00 N ATOM 1088 CA MET A 73 15.111 7.273 -3.225 1.00 0.00 C ATOM 1089 C MET A 73 15.071 5.778 -3.535 1.00 0.00 C ATOM 1090 O MET A 73 14.859 5.383 -4.678 1.00 0.00 O ATOM 1091 CB MET A 73 16.374 7.884 -3.853 1.00 0.00 C ATOM 1092 CG MET A 73 16.167 8.105 -5.358 1.00 0.00 C ATOM 1093 SD MET A 73 17.777 8.208 -6.176 1.00 0.00 S ATOM 1094 CE MET A 73 18.487 9.481 -5.106 1.00 0.00 C ATOM 0 H MET A 73 16.005 7.328 -1.322 1.00 0.00 H new ATOM 0 HA MET A 73 14.223 7.746 -3.645 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.607 8.832 -3.368 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.226 7.224 -3.689 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.584 7.287 -5.780 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.601 9.021 -5.528 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.278 10.006 -5.641 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.710 10.190 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.901 9.015 -4.212 1.00 0.00 H new ATOM 1104 N SER A 74 15.266 4.942 -2.516 1.00 0.00 N ATOM 1105 CA SER A 74 15.243 3.491 -2.712 1.00 0.00 C ATOM 1106 C SER A 74 13.859 2.939 -2.417 1.00 0.00 C ATOM 1107 O SER A 74 13.491 1.868 -2.897 1.00 0.00 O ATOM 1108 CB SER A 74 16.261 2.825 -1.783 1.00 0.00 C ATOM 1109 OG SER A 74 17.553 3.355 -2.044 1.00 0.00 O ATOM 0 H SER A 74 15.440 5.239 -1.556 1.00 0.00 H new ATOM 0 HA SER A 74 15.499 3.277 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.988 2.998 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.260 1.746 -1.938 1.00 0.00 H new ATOM 0 HG SER A 74 18.207 2.931 -1.449 1.00 0.00 H new ATOM 1115 N ALA A 75 13.096 3.676 -1.618 1.00 0.00 N ATOM 1116 CA ALA A 75 11.751 3.255 -1.252 1.00 0.00 C ATOM 1117 C ALA A 75 10.843 3.195 -2.474 1.00 0.00 C ATOM 1118 O ALA A 75 9.978 2.325 -2.569 1.00 0.00 O ATOM 1119 CB ALA A 75 11.176 4.232 -0.235 1.00 0.00 C ATOM 0 H ALA A 75 13.386 4.566 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 75 11.807 2.256 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.169 3.919 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.808 4.246 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.139 5.231 -0.670 1.00 0.00 H new ATOM 1125 N LEU A 76 11.025 4.118 -3.409 1.00 0.00 N ATOM 1126 CA LEU A 76 10.192 4.110 -4.598 1.00 0.00 C ATOM 1127 C LEU A 76 10.518 2.875 -5.426 1.00 0.00 C ATOM 1128 O LEU A 76 9.623 2.151 -5.859 1.00 0.00 O ATOM 1129 CB LEU A 76 10.401 5.365 -5.453 1.00 0.00 C ATOM 1130 CG LEU A 76 10.390 6.655 -4.597 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.280 6.594 -3.542 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.752 6.890 -3.906 1.00 0.00 C ATOM 0 H LEU A 76 11.722 4.861 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 76 9.150 4.095 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.350 5.289 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.618 5.424 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 76 10.200 7.490 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.289 7.510 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.314 6.490 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.447 5.738 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.707 7.804 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.980 6.047 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.532 6.985 -4.662 1.00 0.00 H new ATOM 1144 N LYS A 77 11.811 2.631 -5.627 1.00 0.00 N ATOM 1145 CA LYS A 77 12.240 1.467 -6.387 1.00 0.00 C ATOM 1146 C LYS A 77 11.684 0.207 -5.724 1.00 0.00 C ATOM 1147 O LYS A 77 11.486 -0.816 -6.379 1.00 0.00 O ATOM 1148 CB LYS A 77 13.787 1.411 -6.453 1.00 0.00 C ATOM 1149 CG LYS A 77 14.308 2.043 -7.763 1.00 0.00 C ATOM 1150 CD LYS A 77 14.093 3.573 -7.752 1.00 0.00 C ATOM 1151 CE LYS A 77 15.323 4.277 -7.164 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.461 4.167 -8.121 1.00 0.00 N ATOM 0 H LYS A 77 12.569 3.217 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 77 11.861 1.534 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.210 1.937 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.120 0.375 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.368 1.820 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.791 1.604 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.911 3.929 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.209 3.819 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.097 5.325 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.592 3.826 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.117 4.961 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.962 3.270 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.099 4.194 -9.096 1.00 0.00 H new ATOM 1166 N ASP A 78 11.433 0.295 -4.418 1.00 0.00 N ATOM 1167 CA ASP A 78 10.895 -0.834 -3.673 1.00 0.00 C ATOM 1168 C ASP A 78 9.396 -0.953 -3.930 1.00 0.00 C ATOM 1169 O ASP A 78 8.916 -1.988 -4.390 1.00 0.00 O ATOM 1170 CB ASP A 78 11.165 -0.641 -2.169 1.00 0.00 C ATOM 1171 CG ASP A 78 12.577 -1.107 -1.818 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.393 -1.190 -2.719 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.816 -1.374 -0.651 1.00 0.00 O ATOM 0 H ASP A 78 11.594 1.133 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 78 11.383 -1.751 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.045 0.409 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.434 -1.203 -1.587 1.00 0.00 H new ATOM 1178 N ALA A 79 8.661 0.113 -3.625 1.00 0.00 N ATOM 1179 CA ALA A 79 7.218 0.119 -3.823 1.00 0.00 C ATOM 1180 C ALA A 79 6.865 -0.079 -5.297 1.00 0.00 C ATOM 1181 O ALA A 79 6.244 -1.078 -5.659 1.00 0.00 O ATOM 1182 CB ALA A 79 6.641 1.449 -3.334 1.00 0.00 C ATOM 0 H ALA A 79 9.040 0.979 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 79 6.789 -0.705 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.561 1.454 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.862 1.574 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.088 2.268 -3.897 1.00 0.00 H new ATOM 1188 N VAL A 80 7.252 0.890 -6.134 1.00 0.00 N ATOM 1189 CA VAL A 80 6.973 0.841 -7.573 1.00 0.00 C ATOM 1190 C VAL A 80 7.033 -0.594 -8.098 1.00 0.00 C ATOM 1191 O VAL A 80 6.377 -0.944 -9.079 1.00 0.00 O ATOM 1192 CB VAL A 80 7.973 1.736 -8.312 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.259 0.963 -8.620 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.360 2.243 -9.622 1.00 0.00 C ATOM 0 H VAL A 80 7.762 1.722 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 80 5.962 1.208 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 80 8.211 2.584 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.958 1.614 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.711 0.622 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.025 0.102 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.080 2.878 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.104 1.394 -10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.460 2.818 -9.404 1.00 0.00 H new ATOM 1204 N ARG A 81 7.822 -1.412 -7.416 1.00 0.00 N ATOM 1205 CA ARG A 81 7.973 -2.811 -7.787 1.00 0.00 C ATOM 1206 C ARG A 81 6.768 -3.604 -7.297 1.00 0.00 C ATOM 1207 O ARG A 81 6.098 -4.293 -8.066 1.00 0.00 O ATOM 1208 CB ARG A 81 9.250 -3.394 -7.165 1.00 0.00 C ATOM 1209 CG ARG A 81 9.612 -4.714 -7.861 1.00 0.00 C ATOM 1210 CD ARG A 81 10.540 -5.545 -6.968 1.00 0.00 C ATOM 1211 NE ARG A 81 11.824 -4.872 -6.801 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.697 -5.276 -5.883 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.410 -6.289 -5.112 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.840 -4.660 -5.753 1.00 0.00 N ATOM 0 H ARG A 81 8.368 -1.130 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 81 8.043 -2.879 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.071 -2.683 -7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.101 -3.563 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.706 -5.278 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.100 -4.509 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.075 -5.701 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.693 -6.530 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 81 12.056 -4.078 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.516 -6.770 -5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.079 -6.599 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.064 -3.868 -6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.509 -4.970 -5.049 1.00 0.00 H new ATOM 1228 N ILE A 82 6.523 -3.513 -5.999 1.00 0.00 N ATOM 1229 CA ILE A 82 5.423 -4.232 -5.374 1.00 0.00 C ATOM 1230 C ILE A 82 4.105 -4.071 -6.153 1.00 0.00 C ATOM 1231 O ILE A 82 3.367 -5.044 -6.309 1.00 0.00 O ATOM 1232 CB ILE A 82 5.263 -3.764 -3.911 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.343 -4.434 -3.044 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.874 -4.148 -3.383 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.353 -3.811 -1.646 1.00 0.00 C ATOM 0 H ILE A 82 7.074 -2.945 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 82 5.663 -5.295 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 82 5.372 -2.680 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.151 -5.505 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.321 -4.316 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.772 -3.813 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.108 -3.673 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.755 -5.231 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.120 -4.291 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.567 -2.745 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.379 -3.952 -1.178 1.00 0.00 H new ATOM 1247 N LEU A 83 3.797 -2.863 -6.644 1.00 0.00 N ATOM 1248 CA LEU A 83 2.546 -2.682 -7.391 1.00 0.00 C ATOM 1249 C LEU A 83 2.711 -3.218 -8.807 1.00 0.00 C ATOM 1250 O LEU A 83 1.772 -3.758 -9.389 1.00 0.00 O ATOM 1251 CB LEU A 83 2.059 -1.199 -7.466 1.00 0.00 C ATOM 1252 CG LEU A 83 2.614 -0.311 -6.328 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.707 -1.064 -4.990 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.964 0.246 -6.731 1.00 0.00 C ATOM 0 H LEU A 83 4.372 -2.026 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 83 1.786 -3.237 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.356 -0.775 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.970 -1.180 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 83 1.915 0.510 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.102 -0.397 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.715 -1.407 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.370 -1.922 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.354 0.872 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.655 -0.576 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.856 0.843 -7.636 1.00 0.00 H new ATOM 1266 N TRP A 84 3.905 -3.063 -9.361 1.00 0.00 N ATOM 1267 CA TRP A 84 4.152 -3.545 -10.720 1.00 0.00 C ATOM 1268 C TRP A 84 3.737 -5.014 -10.831 1.00 0.00 C ATOM 1269 O TRP A 84 3.615 -5.553 -11.932 1.00 0.00 O ATOM 1270 CB TRP A 84 5.650 -3.384 -11.073 1.00 0.00 C ATOM 1271 CG TRP A 84 5.880 -2.180 -11.940 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.756 -2.134 -12.969 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.254 -0.862 -11.877 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.711 -0.877 -13.540 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.803 -0.057 -12.904 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.278 -0.288 -11.039 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.399 1.264 -13.095 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 3.869 1.040 -11.231 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.429 1.815 -12.255 1.00 0.00 C ATOM 0 H TRP A 84 4.703 -2.619 -8.907 1.00 0.00 H new ATOM 0 HA TRP A 84 3.562 -2.957 -11.422 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.234 -3.292 -10.157 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.003 -4.278 -11.587 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.388 -2.948 -13.292 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.281 -0.590 -14.336 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.842 -0.874 -10.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 5.833 1.857 -13.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.117 1.468 -10.585 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.111 2.838 -12.395 1.00 0.00 H new ATOM 1290 N GLY A 85 3.529 -5.653 -9.684 1.00 0.00 N ATOM 1291 CA GLY A 85 3.137 -7.059 -9.661 1.00 0.00 C ATOM 1292 C GLY A 85 4.355 -7.956 -9.837 1.00 0.00 C ATOM 1293 O GLY A 85 4.231 -9.135 -10.166 1.00 0.00 O ATOM 0 H GLY A 85 3.624 -5.224 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.642 -7.289 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.416 -7.255 -10.455 1.00 0.00 H new ATOM 1297 N GLU A 86 5.538 -7.382 -9.611 1.00 0.00 N ATOM 1298 CA GLU A 86 6.796 -8.120 -9.737 1.00 0.00 C ATOM 1299 C GLU A 86 7.464 -8.244 -8.376 1.00 0.00 C ATOM 1300 O GLU A 86 8.612 -8.679 -8.275 1.00 0.00 O ATOM 1301 CB GLU A 86 7.734 -7.390 -10.700 1.00 0.00 C ATOM 1302 CG GLU A 86 7.219 -7.546 -12.133 1.00 0.00 C ATOM 1303 CD GLU A 86 8.179 -6.873 -13.107 1.00 0.00 C ATOM 1304 OE1 GLU A 86 9.376 -7.019 -12.925 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.703 -6.222 -14.023 1.00 0.00 O ATOM 0 H GLU A 86 5.651 -6.405 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 86 6.582 -9.116 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.793 -6.334 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.743 -7.795 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.119 -8.603 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.227 -7.103 -12.222 1.00 0.00 H new ATOM 1312 N ALA A 87 6.732 -7.848 -7.333 1.00 0.00 N ATOM 1313 CA ALA A 87 7.238 -7.899 -5.960 1.00 0.00 C ATOM 1314 C ALA A 87 8.210 -9.067 -5.755 1.00 0.00 C ATOM 1315 O ALA A 87 9.300 -8.891 -5.210 1.00 0.00 O ATOM 1316 CB ALA A 87 6.054 -8.030 -4.993 1.00 0.00 C ATOM 0 H ALA A 87 5.782 -7.487 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 87 7.786 -6.978 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.424 -8.069 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.393 -7.171 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.503 -8.944 -5.214 1.00 0.00 H new ATOM 1322 N GLU A 88 7.804 -10.253 -6.194 1.00 0.00 N ATOM 1323 CA GLU A 88 8.644 -11.439 -6.051 1.00 0.00 C ATOM 1324 C GLU A 88 10.011 -11.212 -6.693 1.00 0.00 C ATOM 1325 O GLU A 88 10.112 -10.617 -7.766 1.00 0.00 O ATOM 1326 CB GLU A 88 7.962 -12.643 -6.705 1.00 0.00 C ATOM 1327 CG GLU A 88 7.445 -12.247 -8.090 1.00 0.00 C ATOM 1328 CD GLU A 88 6.865 -13.466 -8.798 1.00 0.00 C ATOM 1329 OE1 GLU A 88 7.612 -14.401 -9.032 1.00 0.00 O ATOM 1330 OE2 GLU A 88 5.682 -13.446 -9.095 1.00 0.00 O ATOM 0 H GLU A 88 6.906 -10.420 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 88 8.785 -11.635 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.666 -13.471 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.137 -12.989 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.682 -11.474 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.256 -11.824 -8.683 1.00 0.00 H new ATOM 1337 N VAL A 89 11.059 -11.691 -6.027 1.00 0.00 N ATOM 1338 CA VAL A 89 12.420 -11.538 -6.536 1.00 0.00 C ATOM 1339 C VAL A 89 12.766 -12.668 -7.503 1.00 0.00 C ATOM 1340 O VAL A 89 11.951 -13.557 -7.751 1.00 0.00 O ATOM 1341 CB VAL A 89 13.413 -11.543 -5.372 1.00 0.00 C ATOM 1342 CG1 VAL A 89 13.313 -10.221 -4.607 1.00 0.00 C ATOM 1343 CG2 VAL A 89 13.085 -12.702 -4.429 1.00 0.00 C ATOM 0 H VAL A 89 10.993 -12.186 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 89 12.483 -10.589 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 89 14.425 -11.662 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.021 -10.226 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.545 -9.394 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.301 -10.100 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.792 -12.707 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.073 -12.582 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.157 -13.644 -4.972 1.00 0.00 H new ATOM 1353 N ASP A 90 13.980 -12.623 -8.048 1.00 0.00 N ATOM 1354 CA ASP A 90 14.436 -13.643 -8.993 1.00 0.00 C ATOM 1355 C ASP A 90 15.239 -14.726 -8.276 1.00 0.00 C ATOM 1356 O ASP A 90 14.673 -15.674 -7.732 1.00 0.00 O ATOM 1357 CB ASP A 90 15.308 -12.997 -10.072 1.00 0.00 C ATOM 1358 CG ASP A 90 14.466 -12.061 -10.931 1.00 0.00 C ATOM 1359 OD1 ASP A 90 13.807 -12.551 -11.834 1.00 0.00 O ATOM 1360 OD2 ASP A 90 14.492 -10.869 -10.676 1.00 0.00 O ATOM 0 H ASP A 90 14.665 -11.893 -7.853 1.00 0.00 H new ATOM 0 HA ASP A 90 13.560 -14.101 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.124 -12.443 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.760 -13.768 -10.696 1.00 0.00 H new ATOM 1365 N SER A 91 16.560 -14.578 -8.283 1.00 0.00 N ATOM 1366 CA SER A 91 17.434 -15.550 -7.636 1.00 0.00 C ATOM 1367 C SER A 91 17.156 -15.613 -6.138 1.00 0.00 C ATOM 1368 O SER A 91 16.277 -14.918 -5.630 1.00 0.00 O ATOM 1369 CB SER A 91 18.897 -15.172 -7.869 1.00 0.00 C ATOM 1370 OG SER A 91 19.733 -16.220 -7.396 1.00 0.00 O ATOM 0 H SER A 91 17.046 -13.799 -8.727 1.00 0.00 H new ATOM 0 HA SER A 91 17.237 -16.530 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.076 -14.999 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 91 19.131 -14.242 -7.351 1.00 0.00 H new ATOM 0 HG SER A 91 20.672 -15.982 -7.545 1.00 0.00 H new ATOM 1376 N LEU A 92 17.911 -16.455 -5.436 1.00 0.00 N ATOM 1377 CA LEU A 92 17.737 -16.608 -3.996 1.00 0.00 C ATOM 1378 C LEU A 92 18.459 -15.473 -3.256 1.00 0.00 C ATOM 1379 O LEU A 92 19.468 -14.964 -3.743 1.00 0.00 O ATOM 1380 CB LEU A 92 18.314 -17.955 -3.541 1.00 0.00 C ATOM 1381 CG LEU A 92 17.426 -19.121 -4.016 1.00 0.00 C ATOM 1382 CD1 LEU A 92 16.043 -19.064 -3.337 1.00 0.00 C ATOM 1383 CD2 LEU A 92 17.261 -19.064 -5.543 1.00 0.00 C ATOM 0 H LEU A 92 18.645 -17.038 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 92 16.672 -16.571 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 92 19.322 -18.076 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.394 -17.973 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 92 17.909 -20.058 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.432 -19.896 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.165 -19.132 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.553 -18.123 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.632 -19.891 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.795 -18.120 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.239 -19.141 -6.018 1.00 0.00 H new ATOM 1395 N PRO A 93 17.979 -15.071 -2.098 1.00 0.00 N ATOM 1396 CA PRO A 93 18.620 -13.982 -1.309 1.00 0.00 C ATOM 1397 C PRO A 93 20.146 -14.033 -1.385 1.00 0.00 C ATOM 1398 O PRO A 93 20.775 -14.923 -0.811 1.00 0.00 O ATOM 1399 CB PRO A 93 18.127 -14.253 0.114 1.00 0.00 C ATOM 1400 CG PRO A 93 16.765 -14.853 -0.061 1.00 0.00 C ATOM 1401 CD PRO A 93 16.781 -15.596 -1.410 1.00 0.00 C ATOM 0 HA PRO A 93 18.361 -12.990 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 93 18.795 -14.934 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 93 18.082 -13.334 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 93 16.535 -15.538 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.997 -14.079 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 93 16.843 -16.675 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.875 -15.401 -1.983 1.00 0.00 H new ATOM 1409 N GLN A 94 20.735 -13.074 -2.094 1.00 0.00 N ATOM 1410 CA GLN A 94 22.188 -13.022 -2.234 1.00 0.00 C ATOM 1411 C GLN A 94 22.847 -12.434 -0.980 1.00 0.00 C ATOM 1412 O GLN A 94 23.931 -12.866 -0.590 1.00 0.00 O ATOM 1413 CB GLN A 94 22.572 -12.190 -3.473 1.00 0.00 C ATOM 1414 CG GLN A 94 23.941 -12.634 -4.002 1.00 0.00 C ATOM 1415 CD GLN A 94 25.009 -12.410 -2.938 1.00 0.00 C ATOM 1416 OE1 GLN A 94 24.966 -11.416 -2.213 1.00 0.00 O ATOM 1417 NE2 GLN A 94 25.973 -13.280 -2.800 1.00 0.00 N ATOM 0 H GLN A 94 20.234 -12.328 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 94 22.551 -14.042 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 94 21.817 -12.310 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 94 22.599 -11.131 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 94 23.908 -13.687 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 94 24.191 -12.074 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 94 26.007 -14.103 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 94 26.692 -13.137 -2.091 1.00 0.00 H new ATOM 1426 N PRO A 95 22.228 -11.465 -0.341 1.00 0.00 N ATOM 1427 CA PRO A 95 22.797 -10.831 0.889 1.00 0.00 C ATOM 1428 C PRO A 95 23.056 -11.856 1.994 1.00 0.00 C ATOM 1429 O PRO A 95 22.666 -13.018 1.880 1.00 0.00 O ATOM 1430 CB PRO A 95 21.724 -9.808 1.311 1.00 0.00 C ATOM 1431 CG PRO A 95 20.924 -9.552 0.074 1.00 0.00 C ATOM 1432 CD PRO A 95 20.933 -10.865 -0.705 1.00 0.00 C ATOM 0 HA PRO A 95 23.767 -10.371 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.097 -10.201 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 95 22.179 -8.890 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.906 -9.251 0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.361 -8.745 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.098 -11.507 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.855 -10.696 -1.779 1.00 0.00 H new ATOM 1440 N VAL A 96 23.716 -11.416 3.062 1.00 0.00 N ATOM 1441 CA VAL A 96 24.020 -12.301 4.183 1.00 0.00 C ATOM 1442 C VAL A 96 22.818 -12.414 5.116 1.00 0.00 C ATOM 1443 O VAL A 96 22.793 -13.344 5.905 1.00 0.00 O ATOM 1444 CB VAL A 96 25.222 -11.763 4.960 1.00 0.00 C ATOM 1445 CG1 VAL A 96 26.435 -11.679 4.032 1.00 0.00 C ATOM 1446 CG2 VAL A 96 24.897 -10.368 5.501 1.00 0.00 C ATOM 1447 OXT VAL A 96 21.943 -11.570 5.027 1.00 0.00 O ATOM 0 H VAL A 96 24.049 -10.458 3.175 1.00 0.00 H new ATOM 0 HA VAL A 96 24.255 -13.290 3.789 1.00 0.00 H new ATOM 0 HB VAL A 96 25.446 -12.433 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 96 27.291 -11.295 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.667 -12.672 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 96 26.212 -11.010 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 96 25.754 -9.984 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 96 24.672 -9.699 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.033 -10.427 6.163 1.00 0.00 H new TER 1457 VAL A 96