USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 29 LYS NZ :NH3+ -156:sc= 0.181 (180deg=-2.38!) USER MOD Set 1.2: A 32 TYR OH : rot 180:sc= 0.896 USER MOD Set 2.1: A 7 SER OG : rot -98:sc= 0.286 USER MOD Set 2.2: A 8 HIS : no HE2:sc= -3.18! C(o=-2.9!,f=-5.8!) USER MOD Set 2.3: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.301 K(o=-0.3,f=-1.1) USER MOD Single : A 1 HIS N :NH3+ -125:sc= 0.0368 (180deg=-0.0704) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.666 K(o=-0.67,f=-1.6) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.04 K(o=-0.04,f=-1.8!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 164:sc= -0.114 (180deg=-0.432) USER MOD Single : A 13 THR OG1 : rot -21:sc= -0.164 USER MOD Single : A 19 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.75) USER MOD Single : A 20 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.08) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -0.454 (180deg=-2.39!) USER MOD Single : A 23 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.741 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0957 (180deg=-0.45) USER MOD Single : A 52 HIS : no HD1:sc= 0.0775 K(o=0.078,f=-1.4!) USER MOD Single : A 55 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.306 (180deg=0.257) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.895 K(o=-0.9,f=-2.9) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.907 -23.783 16.352 1.00 75.00 N ATOM 2 CA HIS A 1 -1.885 -24.333 14.973 1.00 75.00 C ATOM 3 C HIS A 1 -0.448 -24.747 14.639 1.00 75.00 C ATOM 4 O HIS A 1 0.501 -24.177 15.197 1.00 75.00 O ATOM 5 CB HIS A 1 -2.412 -23.280 13.956 1.00 75.00 C ATOM 6 CG HIS A 1 -3.782 -22.726 14.292 1.00 75.00 C ATOM 7 ND1 HIS A 1 -4.957 -23.388 14.004 1.00 75.00 N ATOM 8 CD2 HIS A 1 -4.154 -21.583 14.924 1.00 75.00 C ATOM 9 CE1 HIS A 1 -5.980 -22.683 14.442 1.00 75.00 C ATOM 10 NE2 HIS A 1 -5.519 -21.587 15.005 1.00 75.00 N ATOM 0 H1 HIS A 1 -2.609 -24.298 16.920 1.00 75.00 H new ATOM 0 H2 HIS A 1 -0.967 -23.890 16.783 1.00 75.00 H new ATOM 0 H3 HIS A 1 -2.160 -22.775 16.320 1.00 75.00 H new ATOM 0 HA HIS A 1 -2.539 -25.203 14.909 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -1.702 -22.455 13.903 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -2.448 -23.734 12.966 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -3.494 -20.813 15.294 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -7.021 -22.958 14.354 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -6.089 -20.857 15.433 1.00 75.00 H new ATOM 21 N HIS A 2 -0.276 -25.738 13.747 1.00 75.00 N ATOM 22 CA HIS A 2 1.059 -26.215 13.333 1.00 75.00 C ATOM 23 C HIS A 2 1.206 -26.198 11.803 1.00 75.00 C ATOM 24 O HIS A 2 0.886 -27.174 11.116 1.00 75.00 O ATOM 25 CB HIS A 2 1.372 -27.624 13.918 1.00 75.00 C ATOM 26 CG HIS A 2 1.528 -27.632 15.425 1.00 75.00 C ATOM 27 ND1 HIS A 2 0.631 -28.235 16.276 1.00 75.00 N ATOM 28 CD2 HIS A 2 2.487 -27.088 16.222 1.00 75.00 C ATOM 29 CE1 HIS A 2 1.023 -28.065 17.525 1.00 75.00 C ATOM 30 NE2 HIS A 2 2.143 -27.374 17.514 1.00 75.00 N ATOM 0 H HIS A 2 -1.048 -26.228 13.296 1.00 75.00 H new ATOM 0 HA HIS A 2 1.795 -25.524 13.744 1.00 75.00 H new ATOM 0 HB2 HIS A 2 0.572 -28.310 13.640 1.00 75.00 H new ATOM 0 HB3 HIS A 2 2.288 -28.002 13.464 1.00 75.00 H new ATOM 0 HD2 HIS A 2 3.355 -26.535 15.896 1.00 75.00 H new ATOM 0 HE1 HIS A 2 0.513 -28.430 18.404 1.00 75.00 H new ATOM 0 HE2 HIS A 2 2.672 -27.095 18.340 1.00 75.00 H new ATOM 39 N HIS A 3 1.633 -25.030 11.291 1.00 75.00 N ATOM 40 CA HIS A 3 2.094 -24.851 9.902 1.00 75.00 C ATOM 41 C HIS A 3 2.894 -23.535 9.799 1.00 75.00 C ATOM 42 O HIS A 3 2.529 -22.529 10.422 1.00 75.00 O ATOM 43 CB HIS A 3 0.940 -24.914 8.851 1.00 75.00 C ATOM 44 CG HIS A 3 -0.216 -23.945 8.998 1.00 75.00 C ATOM 45 ND1 HIS A 3 -1.099 -23.704 7.966 1.00 75.00 N ATOM 46 CD2 HIS A 3 -0.689 -23.230 10.053 1.00 75.00 C ATOM 47 CE1 HIS A 3 -2.049 -22.898 8.377 1.00 75.00 C ATOM 48 NE2 HIS A 3 -1.834 -22.594 9.641 1.00 75.00 N ATOM 0 H HIS A 3 1.668 -24.170 11.839 1.00 75.00 H new ATOM 0 HA HIS A 3 2.743 -25.692 9.656 1.00 75.00 H new ATOM 0 HB2 HIS A 3 1.379 -24.762 7.865 1.00 75.00 H new ATOM 0 HB3 HIS A 3 0.531 -25.924 8.865 1.00 75.00 H new ATOM 0 HD1 HIS A 3 -1.025 -24.093 7.026 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -0.245 -23.173 11.036 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -2.873 -22.542 7.777 1.00 75.00 H new ATOM 57 N HIS A 4 3.983 -23.565 9.012 1.00 75.00 N ATOM 58 CA HIS A 4 4.972 -22.473 8.933 1.00 75.00 C ATOM 59 C HIS A 4 5.689 -22.506 7.567 1.00 75.00 C ATOM 60 O HIS A 4 6.041 -23.583 7.085 1.00 75.00 O ATOM 61 CB HIS A 4 6.001 -22.627 10.101 1.00 75.00 C ATOM 62 CG HIS A 4 7.239 -21.754 10.011 1.00 75.00 C ATOM 63 ND1 HIS A 4 7.270 -20.436 10.420 1.00 75.00 N ATOM 64 CD2 HIS A 4 8.498 -22.031 9.577 1.00 75.00 C ATOM 65 CE1 HIS A 4 8.485 -19.953 10.240 1.00 75.00 C ATOM 66 NE2 HIS A 4 9.245 -20.897 9.730 1.00 75.00 N ATOM 0 H HIS A 4 4.205 -24.355 8.406 1.00 75.00 H new ATOM 0 HA HIS A 4 4.467 -21.512 9.028 1.00 75.00 H new ATOM 0 HB2 HIS A 4 5.492 -22.407 11.039 1.00 75.00 H new ATOM 0 HB3 HIS A 4 6.317 -23.669 10.146 1.00 75.00 H new ATOM 0 HD2 HIS A 4 8.844 -22.975 9.183 1.00 75.00 H new ATOM 0 HE1 HIS A 4 8.803 -18.948 10.473 1.00 75.00 H new ATOM 0 HE2 HIS A 4 10.231 -20.799 9.488 1.00 75.00 H new ATOM 75 N HIS A 5 5.901 -21.316 6.969 1.00 75.00 N ATOM 76 CA HIS A 5 6.747 -21.150 5.763 1.00 75.00 C ATOM 77 C HIS A 5 7.170 -19.681 5.625 1.00 75.00 C ATOM 78 O HIS A 5 6.469 -18.782 6.108 1.00 75.00 O ATOM 79 CB HIS A 5 6.035 -21.636 4.469 1.00 75.00 C ATOM 80 CG HIS A 5 4.837 -20.829 4.028 1.00 75.00 C ATOM 81 ND1 HIS A 5 3.610 -20.915 4.647 1.00 75.00 N ATOM 82 CD2 HIS A 5 4.670 -19.945 3.006 1.00 75.00 C ATOM 83 CE1 HIS A 5 2.748 -20.132 4.030 1.00 75.00 C ATOM 84 NE2 HIS A 5 3.365 -19.531 3.031 1.00 75.00 N ATOM 0 H HIS A 5 5.493 -20.444 7.305 1.00 75.00 H new ATOM 0 HA HIS A 5 7.631 -21.775 5.891 1.00 75.00 H new ATOM 0 HB2 HIS A 5 6.763 -21.641 3.658 1.00 75.00 H new ATOM 0 HB3 HIS A 5 5.718 -22.668 4.619 1.00 75.00 H new ATOM 0 HD2 HIS A 5 5.428 -19.628 2.304 1.00 75.00 H new ATOM 0 HE1 HIS A 5 1.710 -20.004 4.298 1.00 75.00 H new ATOM 0 HE2 HIS A 5 2.940 -18.867 2.384 1.00 75.00 H new ATOM 93 N HIS A 6 8.310 -19.446 4.957 1.00 75.00 N ATOM 94 CA HIS A 6 8.828 -18.086 4.725 1.00 75.00 C ATOM 95 C HIS A 6 7.946 -17.362 3.688 1.00 75.00 C ATOM 96 O HIS A 6 7.760 -17.853 2.573 1.00 75.00 O ATOM 97 CB HIS A 6 10.312 -18.140 4.271 1.00 75.00 C ATOM 98 CG HIS A 6 10.967 -16.789 4.108 1.00 75.00 C ATOM 99 ND1 HIS A 6 11.686 -16.166 5.112 1.00 75.00 N ATOM 100 CD2 HIS A 6 11.017 -15.944 3.049 1.00 75.00 C ATOM 101 CE1 HIS A 6 12.140 -15.006 4.675 1.00 75.00 C ATOM 102 NE2 HIS A 6 11.749 -14.852 3.429 1.00 75.00 N ATOM 0 H HIS A 6 8.895 -20.184 4.565 1.00 75.00 H new ATOM 0 HA HIS A 6 8.791 -17.522 5.657 1.00 75.00 H new ATOM 0 HB2 HIS A 6 10.880 -18.720 4.998 1.00 75.00 H new ATOM 0 HB3 HIS A 6 10.369 -18.674 3.323 1.00 75.00 H new ATOM 0 HD2 HIS A 6 10.562 -16.103 2.082 1.00 75.00 H new ATOM 0 HE1 HIS A 6 12.731 -14.304 5.244 1.00 75.00 H new ATOM 0 HE2 HIS A 6 11.958 -14.046 2.839 1.00 75.00 H new ATOM 111 N SER A 7 7.394 -16.212 4.091 1.00 75.00 N ATOM 112 CA SER A 7 6.534 -15.373 3.244 1.00 75.00 C ATOM 113 C SER A 7 6.816 -13.892 3.568 1.00 75.00 C ATOM 114 O SER A 7 7.802 -13.579 4.255 1.00 75.00 O ATOM 115 CB SER A 7 5.038 -15.746 3.484 1.00 75.00 C ATOM 116 OG SER A 7 4.187 -15.152 2.510 1.00 75.00 O ATOM 0 H SER A 7 7.533 -15.831 5.027 1.00 75.00 H new ATOM 0 HA SER A 7 6.748 -15.542 2.189 1.00 75.00 H new ATOM 0 HB2 SER A 7 4.924 -16.830 3.456 1.00 75.00 H new ATOM 0 HB3 SER A 7 4.736 -15.420 4.479 1.00 75.00 H new ATOM 0 HG SER A 7 3.790 -14.335 2.877 1.00 75.00 H new ATOM 122 N HIS A 8 5.987 -12.988 3.025 1.00 50.00 N ATOM 123 CA HIS A 8 6.012 -11.553 3.369 1.00 50.00 C ATOM 124 C HIS A 8 5.686 -11.356 4.863 1.00 50.00 C ATOM 125 O HIS A 8 4.827 -12.065 5.419 1.00 50.00 O ATOM 126 CB HIS A 8 4.984 -10.780 2.495 1.00 50.00 C ATOM 127 CG HIS A 8 3.555 -11.249 2.659 1.00 50.00 C ATOM 128 ND1 HIS A 8 3.052 -12.362 2.015 1.00 75.00 N ATOM 129 CD2 HIS A 8 2.541 -10.777 3.428 1.00 75.00 C ATOM 130 CE1 HIS A 8 1.805 -12.554 2.386 1.00 75.00 C ATOM 131 NE2 HIS A 8 1.468 -11.611 3.243 1.00 75.00 N ATOM 0 H HIS A 8 5.278 -13.229 2.333 1.00 50.00 H new ATOM 0 HA HIS A 8 7.011 -11.163 3.174 1.00 50.00 H new ATOM 0 HB2 HIS A 8 5.038 -9.720 2.743 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.269 -10.877 1.447 1.00 50.00 H new ATOM 0 HD1 HIS A 8 3.567 -12.944 1.355 1.00 75.00 H new ATOM 0 HD2 HIS A 8 2.573 -9.907 4.067 1.00 75.00 H new ATOM 0 HE1 HIS A 8 1.163 -13.353 2.045 1.00 75.00 H new ATOM 140 N MET A 9 6.376 -10.407 5.514 1.00 10.00 N ATOM 141 CA MET A 9 6.041 -10.009 6.888 1.00 10.00 C ATOM 142 C MET A 9 4.835 -9.054 6.854 1.00 10.00 C ATOM 143 O MET A 9 4.757 -8.152 6.001 1.00 50.00 O ATOM 144 CB MET A 9 7.256 -9.361 7.615 1.00 50.00 C ATOM 145 CG MET A 9 7.775 -8.051 7.008 1.00 50.00 C ATOM 146 SD MET A 9 9.160 -7.351 7.941 1.00 50.00 S ATOM 147 CE MET A 9 10.413 -8.633 7.785 1.00 75.00 C ATOM 0 H MET A 9 7.166 -9.903 5.112 1.00 10.00 H new ATOM 0 HA MET A 9 5.780 -10.900 7.459 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.977 -9.174 8.652 1.00 50.00 H new ATOM 0 HB3 MET A 9 8.073 -10.082 7.630 1.00 50.00 H new ATOM 0 HG2 MET A 9 8.089 -8.231 5.980 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.963 -7.325 6.971 1.00 50.00 H new ATOM 0 HE1 MET A 9 11.387 -8.225 8.057 1.00 75.00 H new ATOM 0 HE2 MET A 9 10.169 -9.463 8.448 1.00 75.00 H new ATOM 0 HE3 MET A 9 10.443 -8.989 6.755 1.00 75.00 H new ATOM 157 N VAL A 10 3.862 -9.315 7.736 1.00 10.00 N ATOM 158 CA VAL A 10 2.684 -8.463 7.914 1.00 10.00 C ATOM 159 C VAL A 10 3.091 -7.190 8.688 1.00 10.00 C ATOM 160 O VAL A 10 4.027 -7.229 9.505 1.00 50.00 O ATOM 161 CB VAL A 10 1.534 -9.249 8.637 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.257 -10.593 7.920 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.845 -9.478 10.127 1.00 50.00 C ATOM 0 H VAL A 10 3.872 -10.130 8.350 1.00 10.00 H new ATOM 0 HA VAL A 10 2.296 -8.164 6.940 1.00 10.00 H new ATOM 0 HB VAL A 10 0.635 -8.635 8.584 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.457 -11.123 8.437 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.959 -10.401 6.889 1.00 50.00 H new ATOM 0 HG13 VAL A 10 2.160 -11.203 7.929 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.024 -10.025 10.590 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.765 -10.055 10.222 1.00 50.00 H new ATOM 0 HG23 VAL A 10 1.967 -8.516 10.625 1.00 50.00 H new ATOM 173 N GLY A 11 2.417 -6.066 8.411 1.00 10.00 N ATOM 174 CA GLY A 11 2.805 -4.787 9.011 1.00 10.00 C ATOM 175 C GLY A 11 3.881 -4.063 8.197 1.00 10.00 C ATOM 176 O GLY A 11 4.463 -3.082 8.683 1.00 50.00 O ATOM 0 H GLY A 11 1.613 -6.017 7.785 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.926 -4.148 9.097 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.173 -4.960 10.022 1.00 10.00 H new ATOM 180 N ASP A 12 4.153 -4.568 6.967 1.00 10.00 N ATOM 181 CA ASP A 12 5.219 -4.037 6.084 1.00 10.00 C ATOM 182 C ASP A 12 4.924 -2.567 5.714 1.00 10.00 C ATOM 183 O ASP A 12 3.950 -2.292 5.019 1.00 50.00 O ATOM 184 CB ASP A 12 5.327 -4.906 4.788 1.00 50.00 C ATOM 185 CG ASP A 12 6.544 -4.591 3.877 1.00 50.00 C ATOM 186 OD1 ASP A 12 7.388 -3.729 4.218 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.655 -5.219 2.800 1.00 50.00 O ATOM 0 H ASP A 12 3.641 -5.352 6.562 1.00 10.00 H new ATOM 0 HA ASP A 12 6.169 -4.080 6.618 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.373 -5.956 5.077 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.415 -4.775 4.206 1.00 50.00 H new ATOM 192 N THR A 13 5.790 -1.640 6.153 1.00 10.00 N ATOM 193 CA THR A 13 5.514 -0.202 6.067 1.00 10.00 C ATOM 194 C THR A 13 5.638 0.288 4.615 1.00 10.00 C ATOM 195 O THR A 13 6.712 0.228 4.015 1.00 50.00 O ATOM 196 CB THR A 13 6.473 0.602 6.983 1.00 50.00 C ATOM 197 OG1 THR A 13 6.506 -0.022 8.278 1.00 50.00 O ATOM 198 CG2 THR A 13 6.041 2.081 7.129 1.00 50.00 C ATOM 0 H THR A 13 6.692 -1.865 6.573 1.00 10.00 H new ATOM 0 HA THR A 13 4.492 -0.037 6.407 1.00 10.00 H new ATOM 0 HB THR A 13 7.462 0.598 6.526 1.00 50.00 H new ATOM 0 HG1 THR A 13 5.703 -0.572 8.397 1.00 50.00 H new ATOM 0 HG21 THR A 13 6.743 2.603 7.779 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.033 2.556 6.148 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.042 2.127 7.563 1.00 50.00 H new ATOM 206 N VAL A 14 4.504 0.723 4.058 1.00 10.00 N ATOM 207 CA VAL A 14 4.383 1.233 2.686 1.00 10.00 C ATOM 208 C VAL A 14 3.595 2.558 2.683 1.00 10.00 C ATOM 209 O VAL A 14 3.202 3.069 3.735 1.00 50.00 O ATOM 210 CB VAL A 14 3.654 0.190 1.755 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.485 -1.104 1.590 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.217 -0.107 2.271 1.00 50.00 C ATOM 0 H VAL A 14 3.618 0.731 4.563 1.00 10.00 H new ATOM 0 HA VAL A 14 5.389 1.401 2.300 1.00 10.00 H new ATOM 0 HB VAL A 14 3.562 0.635 0.764 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.951 -1.799 0.942 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.450 -0.862 1.145 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.640 -1.564 2.566 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.736 -0.829 1.612 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.270 -0.516 3.280 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.637 0.816 2.284 1.00 50.00 H new ATOM 222 N TRP A 15 3.375 3.095 1.482 1.00 10.00 N ATOM 223 CA TRP A 15 2.531 4.266 1.230 1.00 10.00 C ATOM 224 C TRP A 15 1.472 3.863 0.197 1.00 10.00 C ATOM 225 O TRP A 15 1.775 3.100 -0.728 1.00 50.00 O ATOM 226 CB TRP A 15 3.385 5.446 0.684 1.00 50.00 C ATOM 227 CG TRP A 15 4.456 5.957 1.630 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.422 5.979 3.001 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.721 6.539 1.263 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.575 6.531 3.495 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.385 6.885 2.453 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.350 6.798 0.043 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.644 7.477 2.462 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.600 7.388 0.052 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.236 7.723 1.253 1.00 50.00 C ATOM 0 H TRP A 15 3.791 2.716 0.631 1.00 10.00 H new ATOM 0 HA TRP A 15 2.059 4.595 2.156 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.862 5.130 -0.244 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.718 6.272 0.434 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.604 5.614 3.604 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.794 6.657 4.483 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.869 6.542 -0.889 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.136 7.733 3.389 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.095 7.594 -0.885 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.212 8.184 1.225 1.00 50.00 H new ATOM 246 N VAL A 16 0.244 4.364 0.350 1.00 10.00 N ATOM 247 CA VAL A 16 -0.846 4.122 -0.610 1.00 10.00 C ATOM 248 C VAL A 16 -1.106 5.425 -1.370 1.00 10.00 C ATOM 249 O VAL A 16 -1.631 6.405 -0.819 1.00 50.00 O ATOM 250 CB VAL A 16 -2.157 3.594 0.095 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.331 3.457 -0.912 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.881 2.246 0.807 1.00 50.00 C ATOM 0 H VAL A 16 -0.027 4.949 1.141 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.547 3.336 -1.304 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.454 4.329 0.843 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.216 3.091 -0.391 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.546 4.430 -1.355 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.056 2.754 -1.698 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.794 1.895 1.288 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.550 1.509 0.075 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.104 2.384 1.559 1.00 50.00 H new ATOM 262 N ARG A 17 -0.671 5.426 -2.633 1.00 10.00 N ATOM 263 CA ARG A 17 -0.686 6.598 -3.498 1.00 10.00 C ATOM 264 C ARG A 17 -2.062 6.756 -4.175 1.00 10.00 C ATOM 265 O ARG A 17 -2.336 6.173 -5.225 1.00 50.00 O ATOM 266 CB ARG A 17 0.492 6.478 -4.505 1.00 50.00 C ATOM 267 CG ARG A 17 0.722 7.726 -5.366 1.00 50.00 C ATOM 268 CD ARG A 17 2.047 7.689 -6.143 1.00 50.00 C ATOM 269 NE ARG A 17 2.145 6.578 -7.106 1.00 50.00 N ATOM 270 CZ ARG A 17 3.116 6.463 -8.032 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.080 7.380 -8.136 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.117 5.427 -8.848 1.00 75.00 N ATOM 0 H ARG A 17 -0.293 4.595 -3.087 1.00 10.00 H new ATOM 0 HA ARG A 17 -0.540 7.511 -2.920 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.406 6.260 -3.952 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.307 5.628 -5.162 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.103 7.830 -6.071 1.00 50.00 H new ATOM 0 HG3 ARG A 17 0.708 8.609 -4.726 1.00 50.00 H new ATOM 0 HD2 ARG A 17 2.170 8.631 -6.677 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.871 7.615 -5.433 1.00 50.00 H new ATOM 0 HE ARG A 17 1.432 5.850 -7.069 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.089 8.184 -7.508 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.808 7.277 -8.843 1.00 75.00 H new ATOM 0 HH21 ARG A 17 2.386 4.720 -8.775 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.849 5.333 -9.552 1.00 75.00 H new ATOM 286 N ARG A 18 -2.925 7.561 -3.529 1.00 10.00 N ATOM 287 CA ARG A 18 -4.327 7.783 -3.929 1.00 10.00 C ATOM 288 C ARG A 18 -4.388 8.804 -5.081 1.00 10.00 C ATOM 289 O ARG A 18 -3.506 9.656 -5.196 1.00 50.00 O ATOM 290 CB ARG A 18 -5.119 8.297 -2.689 1.00 50.00 C ATOM 291 CG ARG A 18 -6.613 8.607 -2.930 1.00 50.00 C ATOM 292 CD ARG A 18 -7.310 9.180 -1.685 1.00 50.00 C ATOM 293 NE ARG A 18 -6.684 10.434 -1.223 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.127 11.194 -0.202 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.207 10.847 0.496 1.00 75.00 N ATOM 296 NH2 ARG A 18 -6.461 12.297 0.121 1.00 75.00 N ATOM 0 H ARG A 18 -2.661 8.087 -2.696 1.00 10.00 H new ATOM 0 HA ARG A 18 -4.772 6.853 -4.282 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -5.045 7.550 -1.898 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.634 9.201 -2.320 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.704 9.318 -3.751 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -7.123 7.695 -3.239 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -8.361 9.362 -1.911 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -7.279 8.443 -0.882 1.00 50.00 H new ATOM 0 HE ARG A 18 -5.849 10.751 -1.716 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.714 9.993 0.261 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -8.527 11.435 1.266 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -5.625 12.560 -0.402 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -6.785 12.881 0.892 1.00 75.00 H new ATOM 310 N HIS A 19 -5.433 8.725 -5.925 1.00 50.00 N ATOM 311 CA HIS A 19 -5.614 9.638 -7.076 1.00 50.00 C ATOM 312 C HIS A 19 -6.999 10.320 -7.014 1.00 50.00 C ATOM 313 O HIS A 19 -8.026 9.648 -6.875 1.00 75.00 O ATOM 314 CB HIS A 19 -5.413 8.875 -8.419 1.00 75.00 C ATOM 315 CG HIS A 19 -6.270 7.641 -8.592 1.00 75.00 C ATOM 316 ND1 HIS A 19 -7.467 7.639 -9.276 1.00 75.00 N ATOM 317 CD2 HIS A 19 -6.087 6.360 -8.173 1.00 75.00 C ATOM 318 CE1 HIS A 19 -7.979 6.424 -9.269 1.00 75.00 C ATOM 319 NE2 HIS A 19 -7.161 5.632 -8.609 1.00 75.00 N ATOM 0 H HIS A 19 -6.174 8.031 -5.832 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.856 10.420 -7.024 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -5.619 9.559 -9.242 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.365 8.585 -8.501 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -5.250 5.987 -7.602 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -8.911 6.129 -9.727 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -7.304 4.635 -8.448 1.00 75.00 H new ATOM 328 N GLN A 20 -6.999 11.666 -7.081 1.00 75.00 N ATOM 329 CA GLN A 20 -8.233 12.480 -7.190 1.00 75.00 C ATOM 330 C GLN A 20 -8.576 12.659 -8.676 1.00 75.00 C ATOM 331 O GLN A 20 -9.736 12.549 -9.085 1.00 75.00 O ATOM 332 CB GLN A 20 -8.049 13.872 -6.513 1.00 75.00 C ATOM 333 CG GLN A 20 -7.579 13.828 -5.045 1.00 75.00 C ATOM 334 CD GLN A 20 -8.494 13.029 -4.097 1.00 75.00 C ATOM 335 OE1 GLN A 20 -9.711 12.958 -4.277 1.00 75.00 O ATOM 336 NE2 GLN A 20 -7.906 12.407 -3.089 1.00 75.00 N ATOM 0 H GLN A 20 -6.145 12.223 -7.061 1.00 75.00 H new ATOM 0 HA GLN A 20 -9.045 11.966 -6.676 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -7.327 14.448 -7.092 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -8.996 14.409 -6.559 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -6.579 13.396 -5.011 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.498 14.850 -4.673 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -6.897 12.482 -2.962 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -8.462 11.852 -2.438 1.00 75.00 H new ATOM 345 N THR A 21 -7.529 12.954 -9.460 1.00 75.00 N ATOM 346 CA THR A 21 -7.581 13.023 -10.921 1.00 75.00 C ATOM 347 C THR A 21 -6.474 12.113 -11.483 1.00 75.00 C ATOM 348 O THR A 21 -5.304 12.260 -11.115 1.00 75.00 O ATOM 349 CB THR A 21 -7.372 14.492 -11.420 1.00 75.00 C ATOM 350 OG1 THR A 21 -8.267 15.375 -10.725 1.00 75.00 O ATOM 351 CG2 THR A 21 -7.589 14.636 -12.943 1.00 75.00 C ATOM 0 H THR A 21 -6.603 13.155 -9.084 1.00 75.00 H new ATOM 0 HA THR A 21 -8.560 12.692 -11.268 1.00 75.00 H new ATOM 0 HB THR A 21 -6.336 14.758 -11.209 1.00 75.00 H new ATOM 0 HG1 THR A 21 -8.131 16.293 -11.040 1.00 75.00 H new ATOM 0 HG21 THR A 21 -7.432 15.674 -13.236 1.00 75.00 H new ATOM 0 HG22 THR A 21 -6.882 13.998 -13.473 1.00 75.00 H new ATOM 0 HG23 THR A 21 -8.607 14.338 -13.195 1.00 75.00 H new ATOM 359 N LYS A 22 -6.859 11.170 -12.356 1.00 75.00 N ATOM 360 CA LYS A 22 -5.922 10.232 -13.000 1.00 75.00 C ATOM 361 C LYS A 22 -5.021 10.946 -14.034 1.00 75.00 C ATOM 362 O LYS A 22 -3.925 10.464 -14.347 1.00 75.00 O ATOM 363 CB LYS A 22 -6.700 9.058 -13.653 1.00 75.00 C ATOM 364 CG LYS A 22 -7.587 8.263 -12.667 1.00 75.00 C ATOM 365 CD LYS A 22 -8.227 6.981 -13.274 1.00 75.00 C ATOM 366 CE LYS A 22 -9.352 7.242 -14.305 1.00 75.00 C ATOM 367 NZ LYS A 22 -8.864 7.821 -15.591 1.00 75.00 N ATOM 0 H LYS A 22 -7.830 11.035 -12.637 1.00 75.00 H new ATOM 0 HA LYS A 22 -5.267 9.828 -12.228 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -7.327 9.452 -14.453 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -5.986 8.375 -14.115 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -6.986 7.981 -11.802 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.382 8.915 -12.304 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -7.444 6.393 -13.753 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -8.630 6.374 -12.463 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -9.868 6.304 -14.511 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -10.085 7.919 -13.866 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -9.376 7.385 -16.384 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -9.029 8.848 -15.594 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -7.846 7.634 -15.692 1.00 75.00 H new ATOM 381 N ASN A 23 -5.507 12.087 -14.560 1.00 75.00 N ATOM 382 CA ASN A 23 -4.733 12.967 -15.471 1.00 75.00 C ATOM 383 C ASN A 23 -3.645 13.756 -14.705 1.00 50.00 C ATOM 384 O ASN A 23 -2.607 14.115 -15.273 1.00 50.00 O ATOM 385 CB ASN A 23 -5.687 13.941 -16.221 1.00 50.00 C ATOM 386 CG ASN A 23 -6.636 13.245 -17.209 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.027 12.090 -17.029 1.00 75.00 O ATOM 388 ND2 ASN A 23 -7.032 13.956 -18.257 1.00 75.00 N ATOM 0 H ASN A 23 -6.448 12.429 -14.368 1.00 75.00 H new ATOM 0 HA ASN A 23 -4.230 12.334 -16.202 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.279 14.490 -15.489 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.089 14.675 -16.762 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -7.675 13.549 -18.936 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -6.694 14.910 -18.383 1.00 75.00 H new ATOM 395 N LEU A 24 -3.897 14.015 -13.411 1.00 10.00 N ATOM 396 CA LEU A 24 -2.931 14.688 -12.513 1.00 50.00 C ATOM 397 C LEU A 24 -2.083 13.656 -11.756 1.00 50.00 C ATOM 398 O LEU A 24 -2.340 12.448 -11.834 1.00 50.00 O ATOM 399 CB LEU A 24 -3.675 15.621 -11.517 1.00 50.00 C ATOM 400 CG LEU A 24 -4.349 16.888 -12.131 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.067 17.724 -11.046 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.322 17.739 -12.911 1.00 75.00 C ATOM 0 H LEU A 24 -4.774 13.766 -12.954 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.262 15.296 -13.122 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.442 15.037 -11.009 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.965 15.945 -10.756 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.107 16.553 -12.839 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -5.526 18.599 -11.506 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -5.838 17.118 -10.570 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -4.344 18.045 -10.296 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -3.818 18.615 -13.328 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -2.527 18.058 -12.237 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -2.895 17.144 -13.719 1.00 75.00 H new ATOM 414 N GLU A 25 -1.077 14.157 -11.015 1.00 50.00 N ATOM 415 CA GLU A 25 -0.180 13.323 -10.200 1.00 10.00 C ATOM 416 C GLU A 25 -0.938 12.751 -8.982 1.00 10.00 C ATOM 417 O GLU A 25 -1.564 13.523 -8.238 1.00 50.00 O ATOM 418 CB GLU A 25 1.050 14.144 -9.724 1.00 50.00 C ATOM 419 CG GLU A 25 1.943 14.657 -10.866 1.00 50.00 C ATOM 420 CD GLU A 25 3.159 15.464 -10.383 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.122 14.853 -9.878 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.168 16.710 -10.511 1.00 75.00 O ATOM 0 H GLU A 25 -0.865 15.153 -10.966 1.00 50.00 H new ATOM 0 HA GLU A 25 0.172 12.496 -10.817 1.00 10.00 H new ATOM 0 HB2 GLU A 25 0.701 14.995 -9.140 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.651 13.525 -9.058 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.292 13.807 -11.453 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.345 15.280 -11.531 1.00 50.00 H new ATOM 429 N PRO A 26 -0.921 11.396 -8.772 1.00 10.00 N ATOM 430 CA PRO A 26 -1.551 10.770 -7.593 1.00 50.00 C ATOM 431 C PRO A 26 -0.729 11.084 -6.324 1.00 10.00 C ATOM 432 O PRO A 26 0.504 10.985 -6.332 1.00 50.00 O ATOM 433 CB PRO A 26 -1.555 9.261 -7.948 1.00 50.00 C ATOM 434 CG PRO A 26 -0.388 9.080 -8.865 1.00 50.00 C ATOM 435 CD PRO A 26 -0.272 10.376 -9.649 1.00 50.00 C ATOM 0 HA PRO A 26 -2.556 11.133 -7.377 1.00 50.00 H new ATOM 0 HB2 PRO A 26 -1.455 8.644 -7.055 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -2.487 8.971 -8.433 1.00 50.00 H new ATOM 0 HG2 PRO A 26 0.524 8.881 -8.302 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.543 8.232 -9.532 1.00 50.00 H new ATOM 0 HD2 PRO A 26 0.769 10.628 -9.849 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.774 10.304 -10.614 1.00 50.00 H new ATOM 443 N ARG A 27 -1.420 11.484 -5.256 1.00 10.00 N ATOM 444 CA ARG A 27 -0.800 11.936 -4.002 1.00 10.00 C ATOM 445 C ARG A 27 -0.706 10.750 -3.022 1.00 10.00 C ATOM 446 O ARG A 27 -1.711 10.051 -2.794 1.00 50.00 O ATOM 447 CB ARG A 27 -1.651 13.096 -3.423 1.00 50.00 C ATOM 448 CG ARG A 27 -1.061 13.818 -2.196 1.00 50.00 C ATOM 449 CD ARG A 27 -1.977 14.954 -1.692 1.00 50.00 C ATOM 450 NE ARG A 27 -2.263 15.953 -2.746 1.00 50.00 N ATOM 451 CZ ARG A 27 -3.167 16.950 -2.655 1.00 75.00 C ATOM 452 NH1 ARG A 27 -3.898 17.119 -1.553 1.00 75.00 N ATOM 453 NH2 ARG A 27 -3.346 17.768 -3.686 1.00 75.00 N ATOM 0 H ARG A 27 -2.440 11.505 -5.233 1.00 10.00 H new ATOM 0 HA ARG A 27 0.212 12.302 -4.176 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.811 13.832 -4.211 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.630 12.702 -3.152 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.903 13.097 -1.393 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.084 14.228 -2.453 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.914 14.530 -1.332 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.505 15.449 -0.843 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.732 15.882 -3.614 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -3.779 16.489 -0.760 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -4.577 17.879 -1.503 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -2.802 17.640 -4.539 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -4.028 18.524 -3.625 1.00 75.00 H new ATOM 467 N TRP A 28 0.495 10.507 -2.457 1.00 10.00 N ATOM 468 CA TRP A 28 0.725 9.371 -1.546 1.00 10.00 C ATOM 469 C TRP A 28 0.237 9.699 -0.133 1.00 10.00 C ATOM 470 O TRP A 28 0.299 10.853 0.309 1.00 50.00 O ATOM 471 CB TRP A 28 2.219 8.902 -1.538 1.00 50.00 C ATOM 472 CG TRP A 28 3.230 9.871 -0.938 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.977 10.800 -1.602 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.625 9.972 0.447 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.785 11.478 -0.727 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.592 10.985 0.533 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.250 9.306 1.618 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.187 11.348 1.736 1.00 50.00 C ATOM 479 CZ3 TRP A 28 3.841 9.663 2.814 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.801 10.676 2.865 1.00 50.00 C ATOM 0 H TRP A 28 1.320 11.085 -2.617 1.00 10.00 H new ATOM 0 HA TRP A 28 0.139 8.534 -1.925 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.279 7.962 -0.989 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.516 8.691 -2.565 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.937 10.976 -2.667 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.427 12.230 -0.976 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.508 8.522 1.587 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 5.928 12.133 1.779 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.557 9.152 3.722 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.248 10.935 3.814 1.00 50.00 H new ATOM 491 N LYS A 29 -0.257 8.664 0.552 1.00 10.00 N ATOM 492 CA LYS A 29 -0.670 8.724 1.964 1.00 10.00 C ATOM 493 C LYS A 29 0.188 7.717 2.742 1.00 10.00 C ATOM 494 O LYS A 29 0.470 6.631 2.227 1.00 50.00 O ATOM 495 CB LYS A 29 -2.182 8.364 2.099 1.00 50.00 C ATOM 496 CG LYS A 29 -3.146 9.231 1.262 1.00 50.00 C ATOM 497 CD LYS A 29 -4.652 8.925 1.501 1.00 50.00 C ATOM 498 CE LYS A 29 -5.218 9.505 2.818 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.695 8.841 4.049 1.00 75.00 N ATOM 0 H LYS A 29 -0.385 7.741 0.136 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.529 9.730 2.360 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.317 7.321 1.813 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.465 8.445 3.148 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.960 10.281 1.487 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.921 9.087 0.205 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -5.228 9.322 0.665 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.795 7.844 1.502 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.984 10.569 2.864 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -6.304 9.417 2.804 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.372 8.970 4.827 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.566 7.825 3.867 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.782 9.265 4.311 1.00 75.00 H new ATOM 513 N GLY A 30 0.599 8.072 3.968 1.00 10.00 N ATOM 514 CA GLY A 30 1.440 7.195 4.783 1.00 10.00 C ATOM 515 C GLY A 30 1.455 7.617 6.261 1.00 10.00 C ATOM 516 O GLY A 30 1.043 8.735 6.581 1.00 50.00 O ATOM 0 H GLY A 30 0.361 8.959 4.413 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.078 6.170 4.703 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.458 7.205 4.393 1.00 10.00 H new ATOM 520 N PRO A 31 1.930 6.743 7.208 1.00 10.00 N ATOM 521 CA PRO A 31 2.407 5.373 6.914 1.00 10.00 C ATOM 522 C PRO A 31 1.265 4.323 6.909 1.00 10.00 C ATOM 523 O PRO A 31 0.361 4.352 7.749 1.00 50.00 O ATOM 524 CB PRO A 31 3.409 5.126 8.066 1.00 50.00 C ATOM 525 CG PRO A 31 2.840 5.878 9.238 1.00 50.00 C ATOM 526 CD PRO A 31 2.058 7.055 8.663 1.00 50.00 C ATOM 0 HA PRO A 31 2.842 5.279 5.919 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.504 4.063 8.287 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.404 5.488 7.809 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.191 5.235 9.833 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.635 6.226 9.898 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.081 7.151 9.136 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.583 7.997 8.822 1.00 50.00 H new ATOM 534 N TYR A 32 1.303 3.433 5.920 1.00 10.00 N ATOM 535 CA TYR A 32 0.430 2.246 5.831 1.00 10.00 C ATOM 536 C TYR A 32 1.251 0.973 6.028 1.00 10.00 C ATOM 537 O TYR A 32 2.476 1.030 6.138 1.00 50.00 O ATOM 538 CB TYR A 32 -0.322 2.221 4.478 1.00 50.00 C ATOM 539 CG TYR A 32 -1.458 3.243 4.385 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.207 4.592 4.182 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.796 2.843 4.519 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.234 5.504 4.115 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.825 3.758 4.451 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.534 5.087 4.249 1.00 50.00 C ATOM 545 OH TYR A 32 -4.551 6.014 4.174 1.00 50.00 O ATOM 0 H TYR A 32 1.952 3.511 5.137 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.315 2.299 6.625 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.390 2.408 3.674 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.729 1.223 4.317 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.188 4.932 4.075 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.024 1.799 4.678 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -2.017 6.550 3.957 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.850 3.434 4.555 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.414 5.563 4.287 1.00 50.00 H new ATOM 555 N THR A 33 0.554 -0.171 6.092 1.00 10.00 N ATOM 556 CA THR A 33 1.152 -1.471 6.426 1.00 10.00 C ATOM 557 C THR A 33 0.508 -2.592 5.585 1.00 10.00 C ATOM 558 O THR A 33 -0.676 -2.878 5.758 1.00 50.00 O ATOM 559 CB THR A 33 0.954 -1.772 7.959 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.419 -1.571 8.324 1.00 50.00 O ATOM 561 CG2 THR A 33 1.846 -0.900 8.869 1.00 50.00 C ATOM 0 H THR A 33 -0.449 -0.220 5.912 1.00 10.00 H new ATOM 0 HA THR A 33 2.218 -1.434 6.201 1.00 10.00 H new ATOM 0 HB THR A 33 1.248 -2.811 8.109 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.535 -1.762 9.278 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.662 -1.156 9.912 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.894 -1.080 8.631 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.612 0.152 8.707 1.00 50.00 H new ATOM 569 N VAL A 34 1.284 -3.209 4.665 1.00 10.00 N ATOM 570 CA VAL A 34 0.849 -4.418 3.945 1.00 10.00 C ATOM 571 C VAL A 34 0.755 -5.591 4.932 1.00 10.00 C ATOM 572 O VAL A 34 1.721 -5.902 5.659 1.00 50.00 O ATOM 573 CB VAL A 34 1.806 -4.804 2.747 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.370 -6.126 2.058 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.889 -3.662 1.716 1.00 50.00 C ATOM 0 H VAL A 34 2.216 -2.885 4.406 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.127 -4.201 3.510 1.00 10.00 H new ATOM 0 HB VAL A 34 2.798 -4.964 3.170 1.00 50.00 H new ATOM 0 HG11 VAL A 34 2.055 -6.353 1.241 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.389 -6.938 2.784 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.360 -6.015 1.664 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.554 -3.954 0.903 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.895 -3.459 1.317 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.277 -2.765 2.198 1.00 50.00 H new ATOM 585 N LEU A 35 -0.442 -6.178 4.997 1.00 10.00 N ATOM 586 CA LEU A 35 -0.711 -7.401 5.747 1.00 10.00 C ATOM 587 C LEU A 35 -0.573 -8.626 4.822 1.00 10.00 C ATOM 588 O LEU A 35 0.011 -9.644 5.203 1.00 50.00 O ATOM 589 CB LEU A 35 -2.127 -7.343 6.382 1.00 50.00 C ATOM 590 CG LEU A 35 -2.368 -6.205 7.425 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.763 -6.341 8.075 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.249 -6.161 8.494 1.00 50.00 C ATOM 0 H LEU A 35 -1.264 -5.808 4.520 1.00 10.00 H new ATOM 0 HA LEU A 35 0.018 -7.493 6.552 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.858 -7.234 5.581 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.325 -8.299 6.866 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.337 -5.256 6.890 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.908 -5.538 8.797 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.531 -6.279 7.304 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.836 -7.303 8.583 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.453 -5.357 9.201 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.216 -7.112 9.026 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.289 -5.983 8.009 1.00 50.00 H new ATOM 604 N LEU A 36 -1.092 -8.520 3.586 1.00 10.00 N ATOM 605 CA LEU A 36 -1.104 -9.662 2.647 1.00 10.00 C ATOM 606 C LEU A 36 -0.620 -9.223 1.251 1.00 10.00 C ATOM 607 O LEU A 36 -0.909 -8.113 0.804 1.00 50.00 O ATOM 608 CB LEU A 36 -2.519 -10.283 2.567 1.00 50.00 C ATOM 609 CG LEU A 36 -2.611 -11.665 1.853 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.966 -12.765 2.722 1.00 50.00 C ATOM 611 CD2 LEU A 36 -4.064 -12.004 1.468 1.00 50.00 C ATOM 0 H LEU A 36 -1.506 -7.665 3.214 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.418 -10.422 3.020 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.906 -10.392 3.580 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.174 -9.583 2.049 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.048 -11.609 0.921 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -2.039 -13.724 2.209 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.917 -12.524 2.894 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -2.486 -12.825 3.678 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -4.092 -12.974 0.972 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.680 -12.038 2.367 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.449 -11.240 0.793 1.00 50.00 H new ATOM 623 N THR A 37 0.099 -10.131 0.570 1.00 10.00 N ATOM 624 CA THR A 37 0.674 -9.897 -0.761 1.00 10.00 C ATOM 625 C THR A 37 0.085 -10.907 -1.760 1.00 10.00 C ATOM 626 O THR A 37 0.092 -12.119 -1.496 1.00 50.00 O ATOM 627 CB THR A 37 2.234 -10.042 -0.716 1.00 50.00 C ATOM 628 OG1 THR A 37 2.773 -9.158 0.283 1.00 50.00 O ATOM 629 CG2 THR A 37 2.909 -9.762 -2.080 1.00 50.00 C ATOM 0 H THR A 37 0.299 -11.062 0.936 1.00 10.00 H new ATOM 0 HA THR A 37 0.428 -8.884 -1.079 1.00 10.00 H new ATOM 0 HB THR A 37 2.450 -11.080 -0.464 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.748 -9.251 0.311 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.988 -9.879 -1.983 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.534 -10.466 -2.823 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.681 -8.744 -2.397 1.00 50.00 H new ATOM 637 N THR A 38 -0.415 -10.391 -2.896 1.00 10.00 N ATOM 638 CA THR A 38 -0.947 -11.197 -4.017 1.00 10.00 C ATOM 639 C THR A 38 -0.490 -10.548 -5.367 1.00 10.00 C ATOM 640 O THR A 38 -0.087 -9.378 -5.365 1.00 50.00 O ATOM 641 CB THR A 38 -2.526 -11.342 -3.925 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.149 -10.073 -3.699 1.00 50.00 O ATOM 643 CG2 THR A 38 -2.967 -12.328 -2.816 1.00 50.00 C ATOM 0 H THR A 38 -0.463 -9.387 -3.067 1.00 10.00 H new ATOM 0 HA THR A 38 -0.547 -12.210 -3.963 1.00 10.00 H new ATOM 0 HB THR A 38 -2.849 -11.743 -4.886 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.499 -9.357 -3.857 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.055 -12.390 -2.796 1.00 50.00 H new ATOM 0 HG22 THR A 38 -2.551 -13.315 -3.020 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.606 -11.974 -1.850 1.00 50.00 H new ATOM 651 N PRO A 39 -0.469 -11.317 -6.518 1.00 10.00 N ATOM 652 CA PRO A 39 -0.083 -10.777 -7.860 1.00 10.00 C ATOM 653 C PRO A 39 -0.752 -9.418 -8.224 1.00 10.00 C ATOM 654 O PRO A 39 -1.972 -9.359 -8.432 1.00 50.00 O ATOM 655 CB PRO A 39 -0.536 -11.910 -8.815 1.00 50.00 C ATOM 656 CG PRO A 39 -0.348 -13.159 -8.008 1.00 50.00 C ATOM 657 CD PRO A 39 -0.759 -12.785 -6.595 1.00 50.00 C ATOM 0 HA PRO A 39 0.979 -10.539 -7.910 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.575 -11.784 -9.120 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.063 -11.929 -9.725 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -0.961 -13.973 -8.394 1.00 50.00 H new ATOM 0 HG3 PRO A 39 0.688 -13.497 -8.041 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -1.813 -12.995 -6.416 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.192 -13.345 -5.851 1.00 50.00 H new ATOM 665 N THR A 40 0.071 -8.339 -8.227 1.00 10.00 N ATOM 666 CA THR A 40 -0.316 -6.952 -8.625 1.00 10.00 C ATOM 667 C THR A 40 -1.433 -6.339 -7.709 1.00 10.00 C ATOM 668 O THR A 40 -2.052 -5.317 -8.046 1.00 50.00 O ATOM 669 CB THR A 40 -0.715 -6.879 -10.153 1.00 50.00 C ATOM 670 OG1 THR A 40 0.153 -7.732 -10.919 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.601 -5.451 -10.736 1.00 50.00 C ATOM 0 H THR A 40 1.049 -8.406 -7.946 1.00 10.00 H new ATOM 0 HA THR A 40 0.570 -6.334 -8.479 1.00 10.00 H new ATOM 0 HB THR A 40 -1.756 -7.197 -10.217 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.096 -7.687 -11.866 1.00 50.00 H new ATOM 0 HG21 THR A 40 -0.887 -5.463 -11.788 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.262 -4.780 -10.188 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.427 -5.102 -10.644 1.00 50.00 H new ATOM 679 N ALA A 41 -1.628 -6.941 -6.521 1.00 10.00 N ATOM 680 CA ALA A 41 -2.621 -6.485 -5.531 1.00 10.00 C ATOM 681 C ALA A 41 -2.055 -6.682 -4.116 1.00 10.00 C ATOM 682 O ALA A 41 -1.477 -7.725 -3.812 1.00 50.00 O ATOM 683 CB ALA A 41 -3.951 -7.248 -5.709 1.00 50.00 C ATOM 0 H ALA A 41 -1.100 -7.760 -6.220 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.826 -5.425 -5.683 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.672 -6.899 -4.970 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.342 -7.069 -6.711 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -3.779 -8.316 -5.572 1.00 50.00 H new ATOM 689 N LEU A 42 -2.193 -5.669 -3.257 1.00 10.00 N ATOM 690 CA LEU A 42 -1.688 -5.713 -1.875 1.00 10.00 C ATOM 691 C LEU A 42 -2.830 -5.396 -0.915 1.00 10.00 C ATOM 692 O LEU A 42 -3.480 -4.351 -1.038 1.00 50.00 O ATOM 693 CB LEU A 42 -0.513 -4.704 -1.695 1.00 50.00 C ATOM 694 CG LEU A 42 0.779 -5.023 -2.517 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.832 -3.912 -2.374 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.366 -6.395 -2.124 1.00 50.00 C ATOM 0 H LEU A 42 -2.658 -4.793 -3.496 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.307 -6.710 -1.656 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.864 -3.710 -1.974 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.250 -4.664 -0.638 1.00 50.00 H new ATOM 0 HG LEU A 42 0.491 -5.068 -3.567 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.715 -4.170 -2.959 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.419 -2.970 -2.736 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.110 -3.807 -1.325 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.263 -6.589 -2.712 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.621 -6.392 -1.064 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.630 -7.175 -2.318 1.00 50.00 H new ATOM 708 N LYS A 43 -3.072 -6.304 0.041 1.00 10.00 N ATOM 709 CA LYS A 43 -4.020 -6.058 1.121 1.00 10.00 C ATOM 710 C LYS A 43 -3.279 -5.278 2.197 1.00 10.00 C ATOM 711 O LYS A 43 -2.370 -5.800 2.856 1.00 50.00 O ATOM 712 CB LYS A 43 -4.577 -7.374 1.713 1.00 50.00 C ATOM 713 CG LYS A 43 -5.504 -7.174 2.936 1.00 50.00 C ATOM 714 CD LYS A 43 -6.033 -8.496 3.521 1.00 50.00 C ATOM 715 CE LYS A 43 -7.047 -8.258 4.650 1.00 50.00 C ATOM 716 NZ LYS A 43 -8.205 -7.442 4.188 1.00 75.00 N ATOM 0 H LYS A 43 -2.619 -7.217 0.082 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.874 -5.501 0.737 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -5.127 -7.905 0.936 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.742 -8.011 2.004 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -4.960 -6.634 3.711 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.349 -6.550 2.645 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.501 -9.081 2.730 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.198 -9.085 3.901 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -7.404 -9.217 5.026 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.554 -7.753 5.481 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.990 -7.539 4.863 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -7.923 -6.443 4.126 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.512 -7.773 3.251 1.00 75.00 H new ATOM 730 N VAL A 44 -3.654 -4.015 2.321 1.00 10.00 N ATOM 731 CA VAL A 44 -3.040 -3.070 3.237 1.00 10.00 C ATOM 732 C VAL A 44 -4.047 -2.751 4.356 1.00 10.00 C ATOM 733 O VAL A 44 -5.243 -2.586 4.089 1.00 50.00 O ATOM 734 CB VAL A 44 -2.623 -1.764 2.457 1.00 50.00 C ATOM 735 CG1 VAL A 44 -1.958 -0.744 3.390 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.710 -2.091 1.244 1.00 50.00 C ATOM 0 H VAL A 44 -4.413 -3.609 1.773 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.139 -3.496 3.678 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.536 -1.313 2.069 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.683 0.144 2.821 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.654 -0.467 4.181 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.064 -1.184 3.831 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.443 -1.167 0.730 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.805 -2.587 1.593 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.241 -2.748 0.556 1.00 50.00 H new ATOM 746 N ASP A 45 -3.569 -2.717 5.606 1.00 10.00 N ATOM 747 CA ASP A 45 -4.369 -2.279 6.759 1.00 10.00 C ATOM 748 C ASP A 45 -4.699 -0.783 6.616 1.00 10.00 C ATOM 749 O ASP A 45 -3.845 0.007 6.180 1.00 50.00 O ATOM 750 CB ASP A 45 -3.605 -2.558 8.071 1.00 50.00 C ATOM 751 CG ASP A 45 -4.414 -2.235 9.340 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.343 -2.997 9.667 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.117 -1.227 10.018 1.00 50.00 O ATOM 0 H ASP A 45 -2.617 -2.992 5.848 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.304 -2.839 6.790 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.313 -3.608 8.095 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.686 -1.971 8.078 1.00 50.00 H new ATOM 758 N GLY A 46 -5.938 -0.413 6.957 1.00 10.00 N ATOM 759 CA GLY A 46 -6.445 0.945 6.724 1.00 10.00 C ATOM 760 C GLY A 46 -7.191 1.056 5.397 1.00 10.00 C ATOM 761 O GLY A 46 -7.913 2.027 5.169 1.00 50.00 O ATOM 0 H GLY A 46 -6.612 -1.039 7.398 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.111 1.228 7.539 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -5.613 1.649 6.732 1.00 10.00 H new ATOM 765 N ILE A 47 -7.006 0.050 4.520 1.00 10.00 N ATOM 766 CA ILE A 47 -7.682 -0.048 3.215 1.00 10.00 C ATOM 767 C ILE A 47 -8.846 -1.060 3.315 1.00 10.00 C ATOM 768 O ILE A 47 -8.749 -2.034 4.067 1.00 50.00 O ATOM 769 CB ILE A 47 -6.649 -0.480 2.107 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.508 0.589 1.967 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.323 -0.766 0.748 1.00 50.00 C ATOM 772 CD1 ILE A 47 -5.967 1.997 1.614 1.00 50.00 C ATOM 0 H ILE A 47 -6.373 -0.728 4.703 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.089 0.924 2.936 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.203 -1.420 2.432 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -4.956 0.631 2.906 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -4.810 0.251 1.201 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.566 -1.059 0.021 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.047 -1.573 0.864 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.833 0.132 0.399 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.101 2.655 1.542 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.490 1.980 0.658 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.639 2.366 2.389 1.00 50.00 H new ATOM 784 N ALA A 48 -9.927 -0.808 2.537 1.00 10.00 N ATOM 785 CA ALA A 48 -11.170 -1.614 2.559 1.00 10.00 C ATOM 786 C ALA A 48 -10.897 -3.117 2.360 1.00 10.00 C ATOM 787 O ALA A 48 -11.371 -3.946 3.148 1.00 50.00 O ATOM 788 CB ALA A 48 -12.159 -1.083 1.498 1.00 50.00 C ATOM 0 H ALA A 48 -9.960 -0.035 1.873 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.617 -1.509 3.548 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.071 -1.680 1.519 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.401 -0.043 1.715 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.704 -1.151 0.510 1.00 50.00 H new ATOM 794 N ALA A 49 -10.109 -3.462 1.316 1.00 10.00 N ATOM 795 CA ALA A 49 -9.701 -4.857 1.065 1.00 10.00 C ATOM 796 C ALA A 49 -8.322 -4.945 0.362 1.00 10.00 C ATOM 797 O ALA A 49 -7.392 -5.533 0.911 1.00 50.00 O ATOM 798 CB ALA A 49 -10.786 -5.567 0.242 1.00 50.00 C ATOM 0 H ALA A 49 -9.746 -2.793 0.637 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.591 -5.358 2.027 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.485 -6.598 0.056 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.726 -5.557 0.794 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.918 -5.050 -0.709 1.00 50.00 H new ATOM 804 N TRP A 50 -8.188 -4.332 -0.836 1.00 10.00 N ATOM 805 CA TRP A 50 -6.929 -4.382 -1.646 1.00 10.00 C ATOM 806 C TRP A 50 -6.679 -3.038 -2.361 1.00 10.00 C ATOM 807 O TRP A 50 -7.608 -2.262 -2.590 1.00 50.00 O ATOM 808 CB TRP A 50 -6.962 -5.528 -2.717 1.00 50.00 C ATOM 809 CG TRP A 50 -6.929 -6.942 -2.164 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.826 -7.649 -1.765 1.00 50.00 C ATOM 811 CD2 TRP A 50 -8.051 -7.823 -1.970 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.196 -8.892 -1.313 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.552 -9.025 -1.431 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.425 -7.703 -2.192 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.384 -10.098 -1.112 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.250 -8.766 -1.880 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.728 -9.949 -1.343 1.00 50.00 C ATOM 0 H TRP A 50 -8.935 -3.792 -1.273 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.119 -4.584 -0.945 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.864 -5.413 -3.319 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.112 -5.399 -3.388 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.811 -7.282 -1.801 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.561 -9.602 -0.948 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.836 -6.792 -2.602 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.985 -11.012 -0.698 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.313 -8.683 -2.053 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.398 -10.762 -1.105 1.00 50.00 H new ATOM 828 N ILE A 51 -5.400 -2.785 -2.713 1.00 10.00 N ATOM 829 CA ILE A 51 -4.988 -1.699 -3.636 1.00 10.00 C ATOM 830 C ILE A 51 -4.127 -2.316 -4.752 1.00 10.00 C ATOM 831 O ILE A 51 -3.312 -3.208 -4.489 1.00 50.00 O ATOM 832 CB ILE A 51 -4.172 -0.545 -2.908 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.045 0.201 -1.853 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.574 0.478 -3.912 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.224 0.990 -2.421 1.00 50.00 C ATOM 0 H ILE A 51 -4.615 -3.333 -2.362 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.890 -1.237 -4.038 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.347 -1.038 -2.395 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.428 -0.530 -1.140 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.406 0.886 -1.295 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.026 1.246 -3.366 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.896 -0.035 -4.594 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.379 0.942 -4.481 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.766 1.471 -1.607 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.855 1.750 -3.110 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.893 0.313 -2.952 1.00 50.00 H new ATOM 847 N HIS A 52 -4.329 -1.844 -5.993 1.00 10.00 N ATOM 848 CA HIS A 52 -3.507 -2.228 -7.154 1.00 10.00 C ATOM 849 C HIS A 52 -2.055 -1.730 -6.932 1.00 10.00 C ATOM 850 O HIS A 52 -1.859 -0.606 -6.466 1.00 50.00 O ATOM 851 CB HIS A 52 -4.130 -1.613 -8.435 1.00 50.00 C ATOM 852 CG HIS A 52 -3.515 -2.068 -9.728 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.362 -1.524 -10.249 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.892 -3.038 -10.592 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.063 -2.138 -11.374 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.973 -3.056 -11.602 1.00 50.00 N ATOM 0 H HIS A 52 -5.071 -1.182 -6.221 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.481 -3.311 -7.271 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.193 -1.852 -8.453 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.048 -0.528 -8.374 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.757 -3.678 -10.500 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.212 -1.923 -12.004 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.991 -3.683 -12.406 1.00 50.00 H new ATOM 865 N ALA A 53 -1.064 -2.565 -7.309 1.00 10.00 N ATOM 866 CA ALA A 53 0.376 -2.371 -6.959 1.00 10.00 C ATOM 867 C ALA A 53 0.991 -1.043 -7.478 1.00 10.00 C ATOM 868 O ALA A 53 1.996 -0.574 -6.935 1.00 50.00 O ATOM 869 CB ALA A 53 1.204 -3.575 -7.457 1.00 50.00 C ATOM 0 H ALA A 53 -1.232 -3.401 -7.869 1.00 10.00 H new ATOM 0 HA ALA A 53 0.414 -2.305 -5.872 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.253 -3.427 -7.199 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.839 -4.487 -6.985 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.106 -3.662 -8.539 1.00 50.00 H new ATOM 875 N ALA A 54 0.381 -0.451 -8.519 1.00 10.00 N ATOM 876 CA ALA A 54 0.825 0.850 -9.086 1.00 10.00 C ATOM 877 C ALA A 54 0.504 2.050 -8.156 1.00 10.00 C ATOM 878 O ALA A 54 1.045 3.147 -8.333 1.00 50.00 O ATOM 879 CB ALA A 54 0.212 1.063 -10.474 1.00 50.00 C ATOM 0 H ALA A 54 -0.428 -0.851 -8.994 1.00 10.00 H new ATOM 0 HA ALA A 54 1.910 0.805 -9.176 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.546 2.019 -10.876 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.528 0.259 -11.139 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.875 1.062 -10.396 1.00 50.00 H new ATOM 885 N HIS A 55 -0.381 1.829 -7.174 1.00 10.00 N ATOM 886 CA HIS A 55 -0.767 2.842 -6.168 1.00 10.00 C ATOM 887 C HIS A 55 -0.350 2.395 -4.750 1.00 10.00 C ATOM 888 O HIS A 55 -0.939 2.828 -3.754 1.00 50.00 O ATOM 889 CB HIS A 55 -2.290 3.128 -6.250 1.00 50.00 C ATOM 890 CG HIS A 55 -2.716 3.788 -7.535 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.375 5.083 -7.860 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.427 3.320 -8.586 1.00 50.00 C ATOM 893 CE1 HIS A 55 -2.854 5.377 -9.048 1.00 50.00 C ATOM 894 NE2 HIS A 55 -3.494 4.329 -9.513 1.00 50.00 N ATOM 0 H HIS A 55 -0.856 0.935 -7.050 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.238 3.770 -6.386 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.833 2.190 -6.137 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.576 3.765 -5.413 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -1.834 5.715 -7.270 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -3.861 2.335 -8.678 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -2.740 6.323 -9.557 1.00 50.00 H new ATOM 903 N VAL A 56 0.665 1.519 -4.671 1.00 10.00 N ATOM 904 CA VAL A 56 1.397 1.229 -3.422 1.00 10.00 C ATOM 905 C VAL A 56 2.897 1.367 -3.720 1.00 10.00 C ATOM 906 O VAL A 56 3.365 0.902 -4.765 1.00 50.00 O ATOM 907 CB VAL A 56 1.125 -0.215 -2.831 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.868 -0.413 -1.485 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.382 -0.505 -2.661 1.00 50.00 C ATOM 0 H VAL A 56 1.004 0.989 -5.474 1.00 10.00 H new ATOM 0 HA VAL A 56 1.048 1.935 -2.669 1.00 10.00 H new ATOM 0 HB VAL A 56 1.514 -0.929 -3.556 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.664 -1.412 -1.101 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.940 -0.296 -1.641 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.522 0.330 -0.766 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.516 -1.507 -2.253 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.819 0.226 -1.980 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.877 -0.439 -3.630 1.00 50.00 H new ATOM 919 N LYS A 57 3.645 2.023 -2.814 1.00 10.00 N ATOM 920 CA LYS A 57 5.109 2.176 -2.927 1.00 10.00 C ATOM 921 C LYS A 57 5.741 1.924 -1.553 1.00 10.00 C ATOM 922 O LYS A 57 5.245 2.434 -0.551 1.00 50.00 O ATOM 923 CB LYS A 57 5.488 3.591 -3.446 1.00 50.00 C ATOM 924 CG LYS A 57 4.916 3.934 -4.843 1.00 50.00 C ATOM 925 CD LYS A 57 5.517 5.219 -5.455 1.00 50.00 C ATOM 926 CE LYS A 57 7.036 5.107 -5.675 1.00 50.00 C ATOM 927 NZ LYS A 57 7.559 6.194 -6.548 1.00 75.00 N ATOM 0 H LYS A 57 3.252 2.463 -1.982 1.00 10.00 H new ATOM 0 HA LYS A 57 5.488 1.451 -3.648 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.136 4.334 -2.730 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.574 3.673 -3.482 1.00 50.00 H new ATOM 0 HG2 LYS A 57 5.101 3.098 -5.518 1.00 50.00 H new ATOM 0 HG3 LYS A 57 3.835 4.049 -4.766 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.029 5.428 -6.407 1.00 50.00 H new ATOM 0 HD3 LYS A 57 5.309 6.063 -4.798 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.545 5.141 -4.711 1.00 50.00 H new ATOM 0 HE3 LYS A 57 7.266 4.141 -6.123 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.598 6.203 -6.506 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.253 6.029 -7.528 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.191 7.110 -6.220 1.00 75.00 H new ATOM 941 N ALA A 58 6.841 1.156 -1.529 1.00 10.00 N ATOM 942 CA ALA A 58 7.496 0.705 -0.287 1.00 10.00 C ATOM 943 C ALA A 58 8.124 1.875 0.499 1.00 10.00 C ATOM 944 O ALA A 58 8.724 2.783 -0.085 1.00 50.00 O ATOM 945 CB ALA A 58 8.556 -0.363 -0.616 1.00 50.00 C ATOM 0 H ALA A 58 7.306 0.827 -2.375 1.00 10.00 H new ATOM 0 HA ALA A 58 6.731 0.269 0.355 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.037 -0.693 0.304 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.077 -1.214 -1.101 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.305 0.061 -1.285 1.00 50.00 H new ATOM 951 N ALA A 59 7.949 1.836 1.827 1.00 10.00 N ATOM 952 CA ALA A 59 8.551 2.777 2.791 1.00 10.00 C ATOM 953 C ALA A 59 9.492 2.002 3.729 1.00 10.00 C ATOM 954 O ALA A 59 9.536 0.770 3.678 1.00 50.00 O ATOM 955 CB ALA A 59 7.453 3.498 3.587 1.00 50.00 C ATOM 0 H ALA A 59 7.368 1.129 2.277 1.00 10.00 H new ATOM 0 HA ALA A 59 9.126 3.533 2.257 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.911 4.189 4.295 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.811 4.052 2.902 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.857 2.765 4.130 1.00 50.00 H new ATOM 961 N ASP A 60 10.296 2.729 4.530 1.00 10.00 N ATOM 962 CA ASP A 60 11.153 2.124 5.578 1.00 10.00 C ATOM 963 C ASP A 60 10.274 1.295 6.562 1.00 50.00 C ATOM 964 O ASP A 60 9.425 1.882 7.230 1.00 50.00 O ATOM 965 CB ASP A 60 11.936 3.239 6.358 1.00 50.00 C ATOM 966 CG ASP A 60 12.986 2.728 7.391 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.196 1.500 7.541 1.00 50.00 O ATOM 968 OD2 ASP A 60 13.613 3.571 8.067 1.00 75.00 O ATOM 0 H ASP A 60 10.372 3.745 4.473 1.00 10.00 H new ATOM 0 HA ASP A 60 11.878 1.463 5.103 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.445 3.875 5.634 1.00 50.00 H new ATOM 0 HB3 ASP A 60 11.214 3.867 6.881 1.00 50.00 H new ATOM 973 N PRO A 61 10.454 -0.077 6.643 1.00 50.00 N ATOM 974 CA PRO A 61 9.743 -0.955 7.629 1.00 50.00 C ATOM 975 C PRO A 61 9.931 -0.549 9.116 1.00 50.00 C ATOM 976 O PRO A 61 9.146 -0.959 9.983 1.00 75.00 O ATOM 977 CB PRO A 61 10.337 -2.358 7.345 1.00 75.00 C ATOM 978 CG PRO A 61 10.775 -2.287 5.915 1.00 75.00 C ATOM 979 CD PRO A 61 11.316 -0.889 5.738 1.00 50.00 C ATOM 0 HA PRO A 61 8.663 -0.891 7.500 1.00 50.00 H new ATOM 0 HB2 PRO A 61 11.174 -2.578 8.008 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.596 -3.143 7.496 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.538 -3.035 5.699 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.942 -2.476 5.238 1.00 75.00 H new ATOM 0 HD2 PRO A 61 12.367 -0.825 6.018 1.00 50.00 H new ATOM 0 HD3 PRO A 61 11.241 -0.556 4.703 1.00 50.00 H new ATOM 987 N GLY A 62 10.984 0.248 9.392 1.00 50.00 N ATOM 988 CA GLY A 62 11.213 0.836 10.719 1.00 50.00 C ATOM 989 C GLY A 62 10.262 1.989 11.059 1.00 75.00 C ATOM 990 O GLY A 62 10.281 2.499 12.187 1.00 75.00 O ATOM 0 H GLY A 62 11.693 0.498 8.703 1.00 50.00 H new ATOM 0 HA2 GLY A 62 11.108 0.057 11.474 1.00 50.00 H new ATOM 0 HA3 GLY A 62 12.240 1.197 10.774 1.00 50.00 H new ATOM 994 N GLY A 63 9.447 2.399 10.066 1.00 75.00 N ATOM 995 CA GLY A 63 8.431 3.443 10.233 1.00 75.00 C ATOM 996 C GLY A 63 7.130 2.904 10.833 1.00 75.00 C ATOM 997 O GLY A 63 6.390 3.646 11.488 1.00 75.00 O ATOM 0 H GLY A 63 9.480 2.010 9.124 1.00 75.00 H new ATOM 0 HA2 GLY A 63 8.825 4.230 10.876 1.00 75.00 H new ATOM 0 HA3 GLY A 63 8.220 3.898 9.265 1.00 75.00 H new ATOM 1001 N GLY A 64 6.860 1.606 10.599 1.00 75.00 N ATOM 1002 CA GLY A 64 5.683 0.917 11.159 1.00 75.00 C ATOM 1003 C GLY A 64 6.044 0.058 12.368 1.00 75.00 C ATOM 1004 O GLY A 64 7.114 0.259 12.962 1.00 75.00 O ATOM 0 H GLY A 64 7.449 1.008 10.019 1.00 75.00 H new ATOM 0 HA2 GLY A 64 4.935 1.655 11.449 1.00 75.00 H new ATOM 0 HA3 GLY A 64 5.231 0.290 10.391 1.00 75.00 H new ATOM 1008 N PRO A 65 5.175 -0.929 12.768 1.00 75.00 N ATOM 1009 CA PRO A 65 5.425 -1.783 13.951 1.00 75.00 C ATOM 1010 C PRO A 65 6.617 -2.754 13.734 1.00 75.00 C ATOM 1011 O PRO A 65 6.453 -3.868 13.219 1.00 75.00 O ATOM 1012 CB PRO A 65 4.074 -2.528 14.151 1.00 75.00 C ATOM 1013 CG PRO A 65 3.427 -2.542 12.795 1.00 75.00 C ATOM 1014 CD PRO A 65 3.889 -1.276 12.094 1.00 75.00 C ATOM 0 HA PRO A 65 5.718 -1.210 14.831 1.00 75.00 H new ATOM 0 HB2 PRO A 65 4.234 -3.541 14.521 1.00 75.00 H new ATOM 0 HB3 PRO A 65 3.447 -2.017 14.881 1.00 75.00 H new ATOM 0 HG2 PRO A 65 3.721 -3.428 12.232 1.00 75.00 H new ATOM 0 HG3 PRO A 65 2.341 -2.565 12.882 1.00 75.00 H new ATOM 0 HD2 PRO A 65 4.032 -1.442 11.026 1.00 75.00 H new ATOM 0 HD3 PRO A 65 3.157 -0.475 12.197 1.00 75.00 H new ATOM 1022 N SER A 66 7.824 -2.284 14.099 1.00 75.00 N ATOM 1023 CA SER A 66 9.066 -3.081 14.039 1.00 75.00 C ATOM 1024 C SER A 66 9.099 -4.126 15.178 1.00 75.00 C ATOM 1025 O SER A 66 9.804 -5.141 15.090 1.00 75.00 O ATOM 1026 CB SER A 66 10.295 -2.140 14.104 1.00 75.00 C ATOM 1027 OG SER A 66 11.519 -2.851 14.000 1.00 75.00 O ATOM 0 H SER A 66 7.967 -1.336 14.446 1.00 75.00 H new ATOM 0 HA SER A 66 9.096 -3.624 13.094 1.00 75.00 H new ATOM 0 HB2 SER A 66 10.233 -1.407 13.300 1.00 75.00 H new ATOM 0 HB3 SER A 66 10.277 -1.586 15.042 1.00 75.00 H new ATOM 0 HG SER A 66 12.268 -2.221 14.044 1.00 75.00 H new ATOM 1033 N SER A 67 8.317 -3.862 16.245 1.00 75.00 N ATOM 1034 CA SER A 67 8.082 -4.822 17.339 1.00 75.00 C ATOM 1035 C SER A 67 7.186 -5.996 16.858 1.00 75.00 C ATOM 1036 O SER A 67 7.153 -7.052 17.502 1.00 75.00 O ATOM 1037 CB SER A 67 7.437 -4.103 18.547 1.00 75.00 C ATOM 1038 OG SER A 67 8.238 -3.001 18.974 1.00 75.00 O ATOM 0 H SER A 67 7.830 -2.974 16.371 1.00 75.00 H new ATOM 0 HA SER A 67 9.041 -5.236 17.650 1.00 75.00 H new ATOM 0 HB2 SER A 67 6.442 -3.750 18.276 1.00 75.00 H new ATOM 0 HB3 SER A 67 7.313 -4.807 19.370 1.00 75.00 H new ATOM 0 HG SER A 67 7.809 -2.561 19.738 1.00 75.00 H new ATOM 1044 N ARG A 68 6.483 -5.766 15.716 1.00 75.00 N ATOM 1045 CA ARG A 68 5.634 -6.758 15.018 1.00 75.00 C ATOM 1046 C ARG A 68 4.463 -7.208 15.916 1.00 75.00 C ATOM 1047 O ARG A 68 4.592 -8.185 16.666 1.00 75.00 O ATOM 1048 CB ARG A 68 6.471 -7.983 14.527 1.00 75.00 C ATOM 1049 CG ARG A 68 7.712 -7.641 13.665 1.00 75.00 C ATOM 1050 CD ARG A 68 8.569 -8.888 13.374 1.00 75.00 C ATOM 1051 NE ARG A 68 9.825 -8.572 12.665 1.00 75.00 N ATOM 1052 CZ ARG A 68 10.749 -9.478 12.286 1.00 75.00 C ATOM 1053 NH1 ARG A 68 10.578 -10.777 12.545 1.00 75.00 N ATOM 1054 NH2 ARG A 68 11.854 -9.064 11.672 1.00 75.00 N ATOM 0 H ARG A 68 6.495 -4.860 15.247 1.00 75.00 H new ATOM 0 HA ARG A 68 5.216 -6.274 14.135 1.00 75.00 H new ATOM 0 HB2 ARG A 68 6.801 -8.548 15.399 1.00 75.00 H new ATOM 0 HB3 ARG A 68 5.819 -8.638 13.950 1.00 75.00 H new ATOM 0 HG2 ARG A 68 7.389 -7.194 12.725 1.00 75.00 H new ATOM 0 HG3 ARG A 68 8.318 -6.896 14.180 1.00 75.00 H new ATOM 0 HD2 ARG A 68 8.804 -9.388 14.314 1.00 75.00 H new ATOM 0 HD3 ARG A 68 7.988 -9.590 12.777 1.00 75.00 H new ATOM 0 HE ARG A 68 10.008 -7.593 12.445 1.00 75.00 H new ATOM 0 HH11 ARG A 68 9.741 -11.094 13.035 1.00 75.00 H new ATOM 0 HH12 ARG A 68 11.284 -11.453 12.253 1.00 75.00 H new ATOM 0 HH21 ARG A 68 11.996 -8.070 11.492 1.00 75.00 H new ATOM 0 HH22 ARG A 68 12.560 -9.741 11.381 1.00 75.00 H new ATOM 1068 N LEU A 69 3.336 -6.475 15.862 1.00 75.00 N ATOM 1069 CA LEU A 69 2.148 -6.785 16.681 1.00 75.00 C ATOM 1070 C LEU A 69 1.531 -8.123 16.228 1.00 75.00 C ATOM 1071 O LEU A 69 1.352 -9.045 17.028 1.00 75.00 O ATOM 1072 CB LEU A 69 1.104 -5.636 16.587 1.00 75.00 C ATOM 1073 CG LEU A 69 1.590 -4.216 17.029 1.00 75.00 C ATOM 1074 CD1 LEU A 69 0.438 -3.189 16.948 1.00 75.00 C ATOM 1075 CD2 LEU A 69 2.230 -4.239 18.440 1.00 75.00 C ATOM 0 H LEU A 69 3.222 -5.661 15.258 1.00 75.00 H new ATOM 0 HA LEU A 69 2.454 -6.878 17.723 1.00 75.00 H new ATOM 0 HB2 LEU A 69 0.758 -5.573 15.555 1.00 75.00 H new ATOM 0 HB3 LEU A 69 0.242 -5.907 17.197 1.00 75.00 H new ATOM 0 HG LEU A 69 2.368 -3.904 16.332 1.00 75.00 H new ATOM 0 HD11 LEU A 69 0.801 -2.210 17.260 1.00 75.00 H new ATOM 0 HD12 LEU A 69 0.074 -3.131 15.922 1.00 75.00 H new ATOM 0 HD13 LEU A 69 -0.374 -3.501 17.604 1.00 75.00 H new ATOM 0 HD21 LEU A 69 2.554 -3.234 18.709 1.00 75.00 H new ATOM 0 HD22 LEU A 69 1.497 -4.591 19.166 1.00 75.00 H new ATOM 0 HD23 LEU A 69 3.090 -4.909 18.439 1.00 75.00 H new ATOM 1087 N THR A 70 1.242 -8.207 14.929 1.00 75.00 N ATOM 1088 CA THR A 70 0.752 -9.427 14.279 1.00 75.00 C ATOM 1089 C THR A 70 1.957 -10.215 13.717 1.00 75.00 C ATOM 1090 O THR A 70 2.947 -9.610 13.278 1.00 75.00 O ATOM 1091 CB THR A 70 -0.239 -9.043 13.129 1.00 75.00 C ATOM 1092 OG1 THR A 70 -1.252 -8.154 13.639 1.00 75.00 O ATOM 1093 CG2 THR A 70 -0.923 -10.269 12.488 1.00 75.00 C ATOM 0 H THR A 70 1.342 -7.420 14.288 1.00 75.00 H new ATOM 0 HA THR A 70 0.223 -10.051 14.999 1.00 75.00 H new ATOM 0 HB THR A 70 0.352 -8.556 12.354 1.00 75.00 H new ATOM 0 HG1 THR A 70 -1.870 -7.914 12.917 1.00 75.00 H new ATOM 0 HG21 THR A 70 -1.597 -9.938 11.698 1.00 75.00 H new ATOM 0 HG22 THR A 70 -0.165 -10.929 12.065 1.00 75.00 H new ATOM 0 HG23 THR A 70 -1.490 -10.808 13.247 1.00 75.00 H new ATOM 1101 N TRP A 71 1.885 -11.560 13.766 1.00 75.00 N ATOM 1102 CA TRP A 71 2.900 -12.442 13.141 1.00 75.00 C ATOM 1103 C TRP A 71 2.520 -12.663 11.672 1.00 75.00 C ATOM 1104 O TRP A 71 3.293 -12.382 10.748 1.00 75.00 O ATOM 1105 CB TRP A 71 2.969 -13.823 13.857 1.00 75.00 C ATOM 1106 CG TRP A 71 3.031 -13.750 15.361 1.00 75.00 C ATOM 1107 CD1 TRP A 71 4.111 -13.437 16.135 1.00 75.00 C ATOM 1108 CD2 TRP A 71 1.951 -14.013 16.267 1.00 75.00 C ATOM 1109 NE1 TRP A 71 3.764 -13.481 17.462 1.00 75.00 N ATOM 1110 CE2 TRP A 71 2.444 -13.835 17.567 1.00 75.00 C ATOM 1111 CE3 TRP A 71 0.611 -14.381 16.094 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 1.649 -14.014 18.696 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -0.177 -14.558 17.213 1.00 75.00 C ATOM 1114 CH2 TRP A 71 0.343 -14.375 18.500 1.00 75.00 C ATOM 0 H TRP A 71 1.132 -12.065 14.234 1.00 75.00 H new ATOM 0 HA TRP A 71 3.875 -11.963 13.225 1.00 75.00 H new ATOM 0 HB2 TRP A 71 2.096 -14.409 13.571 1.00 75.00 H new ATOM 0 HB3 TRP A 71 3.846 -14.361 13.496 1.00 75.00 H new ATOM 0 HD1 TRP A 71 5.093 -13.191 15.759 1.00 75.00 H new ATOM 0 HE1 TRP A 71 4.388 -13.282 18.244 1.00 75.00 H new ATOM 0 HE3 TRP A 71 0.202 -14.523 15.105 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 2.048 -13.873 19.690 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -1.212 -14.842 17.094 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -0.299 -14.522 19.356 1.00 75.00 H new ATOM 1125 N ARG A 72 1.287 -13.172 11.496 1.00 75.00 N ATOM 1126 CA ARG A 72 0.711 -13.564 10.199 1.00 75.00 C ATOM 1127 C ARG A 72 -0.811 -13.321 10.248 1.00 75.00 C ATOM 1128 O ARG A 72 -1.498 -13.961 11.042 1.00 75.00 O ATOM 1129 CB ARG A 72 0.984 -15.071 9.914 1.00 75.00 C ATOM 1130 CG ARG A 72 2.460 -15.465 9.696 1.00 75.00 C ATOM 1131 CD ARG A 72 2.633 -16.974 9.470 1.00 75.00 C ATOM 1132 NE ARG A 72 2.195 -17.762 10.640 1.00 75.00 N ATOM 1133 CZ ARG A 72 2.038 -19.092 10.663 1.00 75.00 C ATOM 1134 NH1 ARG A 72 2.262 -19.833 9.579 1.00 75.00 N ATOM 1135 NH2 ARG A 72 1.661 -19.678 11.792 1.00 75.00 N ATOM 0 H ARG A 72 0.647 -13.326 12.275 1.00 75.00 H new ATOM 0 HA ARG A 72 1.168 -12.973 9.405 1.00 75.00 H new ATOM 0 HB2 ARG A 72 0.593 -15.654 10.748 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.417 -15.361 9.029 1.00 75.00 H new ATOM 0 HG2 ARG A 72 2.855 -14.923 8.837 1.00 75.00 H new ATOM 0 HG3 ARG A 72 3.047 -15.160 10.562 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.060 -17.277 8.594 1.00 75.00 H new ATOM 0 HD3 ARG A 72 3.680 -17.191 9.258 1.00 75.00 H new ATOM 0 HE ARG A 72 1.996 -17.252 11.500 1.00 75.00 H new ATOM 0 HH11 ARG A 72 2.559 -19.389 8.710 1.00 75.00 H new ATOM 0 HH12 ARG A 72 2.137 -20.845 9.618 1.00 75.00 H new ATOM 0 HH21 ARG A 72 1.495 -19.117 12.627 1.00 75.00 H new ATOM 0 HH22 ARG A 72 1.537 -20.690 11.825 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.327 -12.387 9.423 1.00 75.00 N ATOM 1150 CA VAL A 73 -2.783 -12.097 9.330 1.00 75.00 C ATOM 1151 C VAL A 73 -3.531 -13.328 8.755 1.00 75.00 C ATOM 1152 O VAL A 73 -4.582 -13.739 9.266 1.00 75.00 O ATOM 1153 CB VAL A 73 -3.067 -10.795 8.471 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.518 -10.919 7.031 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -4.573 -10.424 8.474 1.00 50.00 C ATOM 0 H VAL A 73 -0.755 -11.813 8.804 1.00 75.00 H new ATOM 0 HA VAL A 73 -3.158 -11.899 10.334 1.00 75.00 H new ATOM 0 HB VAL A 73 -2.528 -9.977 8.950 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.735 -10.005 6.479 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -1.440 -11.075 7.065 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -2.992 -11.765 6.533 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -4.728 -9.527 7.875 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -5.151 -11.246 8.052 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -4.900 -10.238 9.497 1.00 50.00 H new ATOM 1165 N GLN A 74 -2.949 -13.909 7.695 1.00 75.00 N ATOM 1166 CA GLN A 74 -3.351 -15.196 7.121 1.00 75.00 C ATOM 1167 C GLN A 74 -2.341 -16.243 7.583 1.00 75.00 C ATOM 1168 O GLN A 74 -1.177 -15.917 7.802 1.00 75.00 O ATOM 1169 CB GLN A 74 -3.410 -15.125 5.561 1.00 75.00 C ATOM 1170 CG GLN A 74 -4.736 -14.593 4.963 1.00 75.00 C ATOM 1171 CD GLN A 74 -5.137 -13.200 5.444 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -4.755 -12.184 4.860 1.00 75.00 O ATOM 1173 NE2 GLN A 74 -5.923 -13.138 6.507 1.00 75.00 N ATOM 0 H GLN A 74 -2.164 -13.482 7.202 1.00 75.00 H new ATOM 0 HA GLN A 74 -4.353 -15.461 7.460 1.00 75.00 H new ATOM 0 HB2 GLN A 74 -2.595 -14.490 5.213 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -3.228 -16.123 5.163 1.00 75.00 H new ATOM 0 HG2 GLN A 74 -4.649 -14.577 3.877 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -5.536 -15.292 5.208 1.00 75.00 H new ATOM 0 HE21 GLN A 74 -6.223 -13.996 6.970 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -6.228 -12.232 6.863 1.00 75.00 H new ATOM 1182 N ARG A 75 -2.797 -17.481 7.760 1.00 75.00 N ATOM 1183 CA ARG A 75 -1.941 -18.617 8.161 1.00 75.00 C ATOM 1184 C ARG A 75 -1.807 -19.619 7.001 1.00 75.00 C ATOM 1185 O ARG A 75 -0.812 -20.353 6.924 1.00 75.00 O ATOM 1186 CB ARG A 75 -2.544 -19.307 9.410 1.00 75.00 C ATOM 1187 CG ARG A 75 -2.739 -18.371 10.624 1.00 75.00 C ATOM 1188 CD ARG A 75 -3.460 -19.059 11.795 1.00 75.00 C ATOM 1189 NE ARG A 75 -4.800 -19.558 11.407 1.00 75.00 N ATOM 1190 CZ ARG A 75 -5.893 -19.579 12.192 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -5.857 -19.118 13.438 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -7.026 -20.085 11.725 1.00 75.00 N ATOM 0 H ARG A 75 -3.776 -17.735 7.631 1.00 75.00 H new ATOM 0 HA ARG A 75 -0.946 -18.247 8.408 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -3.508 -19.739 9.141 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -1.895 -20.132 9.703 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -1.766 -18.013 10.962 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -3.311 -17.496 10.315 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -2.854 -19.890 12.155 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -3.561 -18.356 12.622 1.00 75.00 H new ATOM 0 HE ARG A 75 -4.904 -19.918 10.458 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -4.989 -18.739 13.817 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -6.697 -19.143 14.016 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -7.066 -20.456 10.776 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -7.858 -20.104 12.315 1.00 75.00 H new ATOM 1206 N SER A 76 -2.826 -19.634 6.110 1.00 75.00 N ATOM 1207 CA SER A 76 -2.910 -20.556 4.964 1.00 75.00 C ATOM 1208 C SER A 76 -1.773 -20.323 3.947 1.00 75.00 C ATOM 1209 O SER A 76 -1.250 -19.208 3.821 1.00 75.00 O ATOM 1210 CB SER A 76 -4.286 -20.413 4.275 1.00 75.00 C ATOM 1211 OG SER A 76 -5.350 -20.695 5.168 1.00 75.00 O ATOM 0 H SER A 76 -3.620 -18.997 6.172 1.00 75.00 H new ATOM 0 HA SER A 76 -2.797 -21.571 5.346 1.00 75.00 H new ATOM 0 HB2 SER A 76 -4.395 -19.400 3.887 1.00 75.00 H new ATOM 0 HB3 SER A 76 -4.338 -21.089 3.422 1.00 75.00 H new ATOM 0 HG SER A 76 -6.205 -20.593 4.700 1.00 75.00 H new ATOM 1217 N GLN A 77 -1.438 -21.391 3.209 1.00 75.00 N ATOM 1218 CA GLN A 77 -0.277 -21.434 2.296 1.00 75.00 C ATOM 1219 C GLN A 77 -0.518 -20.605 1.015 1.00 75.00 C ATOM 1220 O GLN A 77 0.415 -19.988 0.487 1.00 75.00 O ATOM 1221 CB GLN A 77 0.033 -22.910 1.932 1.00 75.00 C ATOM 1222 CG GLN A 77 0.243 -23.836 3.146 1.00 75.00 C ATOM 1223 CD GLN A 77 0.447 -25.303 2.749 1.00 75.00 C ATOM 1224 OE1 GLN A 77 1.573 -25.756 2.541 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -0.644 -26.045 2.620 1.00 75.00 N ATOM 0 H GLN A 77 -1.969 -22.262 3.227 1.00 75.00 H new ATOM 0 HA GLN A 77 0.576 -20.990 2.809 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -0.786 -23.302 1.329 1.00 75.00 H new ATOM 0 HB3 GLN A 77 0.928 -22.938 1.311 1.00 75.00 H new ATOM 0 HG2 GLN A 77 1.110 -23.494 3.712 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -0.620 -23.760 3.808 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -1.562 -25.638 2.800 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -0.566 -27.023 2.341 1.00 75.00 H new ATOM 1234 N ASN A 78 -1.783 -20.607 0.536 1.00 75.00 N ATOM 1235 CA ASN A 78 -2.175 -19.980 -0.749 1.00 75.00 C ATOM 1236 C ASN A 78 -2.092 -18.422 -0.709 1.00 75.00 C ATOM 1237 O ASN A 78 -1.428 -17.846 -1.578 1.00 75.00 O ATOM 1238 CB ASN A 78 -3.599 -20.447 -1.189 1.00 75.00 C ATOM 1239 CG ASN A 78 -3.712 -21.955 -1.420 1.00 75.00 C ATOM 1240 OD1 ASN A 78 -2.750 -22.620 -1.804 1.00 75.00 O ATOM 1241 ND2 ASN A 78 -4.895 -22.508 -1.190 1.00 75.00 N ATOM 0 H ASN A 78 -2.562 -21.043 1.029 1.00 75.00 H new ATOM 0 HA ASN A 78 -1.452 -20.316 -1.492 1.00 75.00 H new ATOM 0 HB2 ASN A 78 -4.320 -20.151 -0.427 1.00 75.00 H new ATOM 0 HB3 ASN A 78 -3.874 -19.927 -2.107 1.00 75.00 H new ATOM 0 HD21 ASN A 78 -5.026 -23.510 -1.331 1.00 75.00 H new ATOM 0 HD22 ASN A 78 -5.674 -21.932 -0.872 1.00 75.00 H new ATOM 1248 N PRO A 79 -2.756 -17.696 0.276 1.00 75.00 N ATOM 1249 CA PRO A 79 -2.688 -16.209 0.336 1.00 75.00 C ATOM 1250 C PRO A 79 -1.291 -15.708 0.758 1.00 75.00 C ATOM 1251 O PRO A 79 -0.830 -14.656 0.280 1.00 75.00 O ATOM 1252 CB PRO A 79 -3.785 -15.838 1.365 1.00 75.00 C ATOM 1253 CG PRO A 79 -3.876 -17.031 2.261 1.00 75.00 C ATOM 1254 CD PRO A 79 -3.625 -18.226 1.370 1.00 75.00 C ATOM 0 HA PRO A 79 -2.852 -15.740 -0.634 1.00 75.00 H new ATOM 0 HB2 PRO A 79 -3.518 -14.941 1.924 1.00 75.00 H new ATOM 0 HB3 PRO A 79 -4.737 -15.636 0.875 1.00 75.00 H new ATOM 0 HG2 PRO A 79 -3.139 -16.977 3.062 1.00 75.00 H new ATOM 0 HG3 PRO A 79 -4.856 -17.093 2.734 1.00 75.00 H new ATOM 0 HD2 PRO A 79 -3.132 -19.031 1.914 1.00 75.00 H new ATOM 0 HD3 PRO A 79 -4.557 -18.631 0.976 1.00 75.00 H new ATOM 1262 N LEU A 80 -0.614 -16.465 1.656 1.00 75.00 N ATOM 1263 CA LEU A 80 0.745 -16.146 2.095 1.00 75.00 C ATOM 1264 C LEU A 80 1.748 -16.506 0.987 1.00 75.00 C ATOM 1265 O LEU A 80 2.300 -17.612 0.959 1.00 75.00 O ATOM 1266 CB LEU A 80 1.128 -16.874 3.415 1.00 75.00 C ATOM 1267 CG LEU A 80 0.412 -16.430 4.723 1.00 75.00 C ATOM 1268 CD1 LEU A 80 0.946 -17.251 5.920 1.00 75.00 C ATOM 1269 CD2 LEU A 80 0.551 -14.909 4.981 1.00 75.00 C ATOM 0 H LEU A 80 -1.001 -17.305 2.087 1.00 75.00 H new ATOM 0 HA LEU A 80 0.780 -15.075 2.295 1.00 75.00 H new ATOM 0 HB2 LEU A 80 0.942 -17.939 3.276 1.00 75.00 H new ATOM 0 HB3 LEU A 80 2.201 -16.755 3.564 1.00 75.00 H new ATOM 0 HG LEU A 80 -0.653 -16.627 4.604 1.00 75.00 H new ATOM 0 HD11 LEU A 80 0.440 -16.935 6.832 1.00 75.00 H new ATOM 0 HD12 LEU A 80 0.756 -18.310 5.748 1.00 75.00 H new ATOM 0 HD13 LEU A 80 2.019 -17.087 6.024 1.00 75.00 H new ATOM 0 HD21 LEU A 80 0.035 -14.648 5.905 1.00 75.00 H new ATOM 0 HD22 LEU A 80 1.606 -14.650 5.069 1.00 75.00 H new ATOM 0 HD23 LEU A 80 0.110 -14.357 4.151 1.00 75.00 H new ATOM 1281 N LYS A 81 1.939 -15.559 0.063 1.00 75.00 N ATOM 1282 CA LYS A 81 2.970 -15.637 -0.977 1.00 75.00 C ATOM 1283 C LYS A 81 3.455 -14.235 -1.336 1.00 75.00 C ATOM 1284 O LYS A 81 2.965 -13.235 -0.798 1.00 75.00 O ATOM 1285 CB LYS A 81 2.450 -16.380 -2.236 1.00 75.00 C ATOM 1286 CG LYS A 81 1.180 -15.775 -2.885 1.00 75.00 C ATOM 1287 CD LYS A 81 0.802 -16.482 -4.212 1.00 75.00 C ATOM 1288 CE LYS A 81 0.664 -18.008 -4.056 1.00 75.00 C ATOM 1289 NZ LYS A 81 0.303 -18.678 -5.337 1.00 75.00 N ATOM 0 H LYS A 81 1.377 -14.709 0.015 1.00 75.00 H new ATOM 0 HA LYS A 81 3.809 -16.211 -0.584 1.00 75.00 H new ATOM 0 HB2 LYS A 81 3.245 -16.398 -2.981 1.00 75.00 H new ATOM 0 HB3 LYS A 81 2.242 -17.415 -1.966 1.00 75.00 H new ATOM 0 HG2 LYS A 81 0.347 -15.850 -2.186 1.00 75.00 H new ATOM 0 HG3 LYS A 81 1.342 -14.714 -3.075 1.00 75.00 H new ATOM 0 HD2 LYS A 81 -0.138 -16.073 -4.582 1.00 75.00 H new ATOM 0 HD3 LYS A 81 1.561 -16.265 -4.963 1.00 75.00 H new ATOM 0 HE2 LYS A 81 1.603 -18.419 -3.686 1.00 75.00 H new ATOM 0 HE3 LYS A 81 -0.097 -18.227 -3.307 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 0.222 -19.703 -5.182 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 -0.606 -18.306 -5.679 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 1.041 -18.493 -6.046 1.00 75.00 H new ATOM 1303 N ILE A 82 4.451 -14.188 -2.224 1.00 75.00 N ATOM 1304 CA ILE A 82 5.036 -12.944 -2.736 1.00 75.00 C ATOM 1305 C ILE A 82 5.191 -13.033 -4.259 1.00 75.00 C ATOM 1306 O ILE A 82 4.928 -14.073 -4.872 1.00 75.00 O ATOM 1307 CB ILE A 82 6.459 -12.652 -2.096 1.00 75.00 C ATOM 1308 CG1 ILE A 82 7.450 -13.844 -2.359 1.00 75.00 C ATOM 1309 CG2 ILE A 82 6.350 -12.327 -0.589 1.00 75.00 C ATOM 1310 CD1 ILE A 82 8.880 -13.614 -1.881 1.00 75.00 C ATOM 0 H ILE A 82 4.881 -15.026 -2.614 1.00 75.00 H new ATOM 0 HA ILE A 82 4.362 -12.131 -2.465 1.00 75.00 H new ATOM 0 HB ILE A 82 6.866 -11.767 -2.585 1.00 75.00 H new ATOM 0 HG12 ILE A 82 7.059 -14.736 -1.870 1.00 75.00 H new ATOM 0 HG13 ILE A 82 7.470 -14.050 -3.429 1.00 75.00 H new ATOM 0 HG21 ILE A 82 7.344 -12.133 -0.186 1.00 75.00 H new ATOM 0 HG22 ILE A 82 5.724 -11.445 -0.451 1.00 75.00 H new ATOM 0 HG23 ILE A 82 5.905 -13.173 -0.066 1.00 75.00 H new ATOM 0 HD11 ILE A 82 9.485 -14.492 -2.108 1.00 75.00 H new ATOM 0 HD12 ILE A 82 9.298 -12.745 -2.388 1.00 75.00 H new ATOM 0 HD13 ILE A 82 8.881 -13.441 -0.805 1.00 75.00 H new ATOM 1322 N ARG A 83 5.598 -11.913 -4.838 1.00 75.00 N ATOM 1323 CA ARG A 83 6.159 -11.841 -6.190 1.00 75.00 C ATOM 1324 C ARG A 83 7.021 -10.579 -6.241 1.00 75.00 C ATOM 1325 O ARG A 83 6.752 -9.620 -5.500 1.00 75.00 O ATOM 1326 CB ARG A 83 5.058 -11.834 -7.298 1.00 75.00 C ATOM 1327 CG ARG A 83 5.608 -12.021 -8.737 1.00 75.00 C ATOM 1328 CD ARG A 83 4.513 -12.234 -9.796 1.00 75.00 C ATOM 1329 NE ARG A 83 3.678 -11.039 -10.010 1.00 75.00 N ATOM 1330 CZ ARG A 83 2.559 -11.009 -10.764 1.00 75.00 C ATOM 1331 NH1 ARG A 83 2.112 -12.103 -11.378 1.00 75.00 N ATOM 1332 NH2 ARG A 83 1.891 -9.874 -10.893 1.00 75.00 N ATOM 0 H ARG A 83 5.549 -11.005 -4.375 1.00 75.00 H new ATOM 0 HA ARG A 83 6.756 -12.730 -6.395 1.00 75.00 H new ATOM 0 HB2 ARG A 83 4.341 -12.628 -7.088 1.00 75.00 H new ATOM 0 HB3 ARG A 83 4.513 -10.891 -7.248 1.00 75.00 H new ATOM 0 HG2 ARG A 83 6.197 -11.145 -9.008 1.00 75.00 H new ATOM 0 HG3 ARG A 83 6.284 -12.876 -8.750 1.00 75.00 H new ATOM 0 HD2 ARG A 83 4.978 -12.519 -10.740 1.00 75.00 H new ATOM 0 HD3 ARG A 83 3.877 -13.065 -9.491 1.00 75.00 H new ATOM 0 HE ARG A 83 3.966 -10.172 -9.556 1.00 75.00 H new ATOM 0 HH11 ARG A 83 2.617 -12.984 -11.283 1.00 75.00 H new ATOM 0 HH12 ARG A 83 1.264 -12.060 -11.944 1.00 75.00 H new ATOM 0 HH21 ARG A 83 2.223 -9.031 -10.425 1.00 75.00 H new ATOM 0 HH22 ARG A 83 1.044 -9.842 -11.461 1.00 75.00 H new ATOM 1346 N LEU A 84 8.077 -10.595 -7.076 1.00 75.00 N ATOM 1347 CA LEU A 84 8.988 -9.456 -7.230 1.00 75.00 C ATOM 1348 C LEU A 84 8.267 -8.302 -7.940 1.00 75.00 C ATOM 1349 O LEU A 84 8.332 -8.158 -9.169 1.00 75.00 O ATOM 1350 CB LEU A 84 10.283 -9.883 -7.980 1.00 75.00 C ATOM 1351 CG LEU A 84 11.164 -10.953 -7.265 1.00 75.00 C ATOM 1352 CD1 LEU A 84 12.405 -11.317 -8.107 1.00 75.00 C ATOM 1353 CD2 LEU A 84 11.571 -10.496 -5.846 1.00 75.00 C ATOM 0 H LEU A 84 8.318 -11.397 -7.659 1.00 75.00 H new ATOM 0 HA LEU A 84 9.292 -9.105 -6.244 1.00 75.00 H new ATOM 0 HB2 LEU A 84 10.002 -10.268 -8.960 1.00 75.00 H new ATOM 0 HB3 LEU A 84 10.891 -8.994 -8.150 1.00 75.00 H new ATOM 0 HG LEU A 84 10.558 -11.853 -7.161 1.00 75.00 H new ATOM 0 HD11 LEU A 84 12.996 -12.065 -7.579 1.00 75.00 H new ATOM 0 HD12 LEU A 84 12.087 -11.719 -9.069 1.00 75.00 H new ATOM 0 HD13 LEU A 84 13.010 -10.425 -8.269 1.00 75.00 H new ATOM 0 HD21 LEU A 84 12.184 -11.266 -5.378 1.00 75.00 H new ATOM 0 HD22 LEU A 84 12.140 -9.569 -5.912 1.00 75.00 H new ATOM 0 HD23 LEU A 84 10.676 -10.330 -5.246 1.00 75.00 H new ATOM 1365 N THR A 85 7.508 -7.538 -7.141 1.00 75.00 N ATOM 1366 CA THR A 85 6.806 -6.336 -7.573 1.00 75.00 C ATOM 1367 C THR A 85 7.829 -5.224 -7.852 1.00 75.00 C ATOM 1368 O THR A 85 8.917 -5.211 -7.259 1.00 75.00 O ATOM 1369 CB THR A 85 5.798 -5.868 -6.462 1.00 75.00 C ATOM 1370 OG1 THR A 85 6.498 -5.709 -5.216 1.00 75.00 O ATOM 1371 CG2 THR A 85 4.637 -6.863 -6.252 1.00 75.00 C ATOM 0 H THR A 85 7.366 -7.750 -6.153 1.00 75.00 H new ATOM 0 HA THR A 85 6.246 -6.554 -8.482 1.00 75.00 H new ATOM 0 HB THR A 85 5.371 -4.923 -6.798 1.00 75.00 H new ATOM 0 HG1 THR A 85 5.870 -5.415 -4.523 1.00 75.00 H new ATOM 0 HG21 THR A 85 3.973 -6.488 -5.473 1.00 75.00 H new ATOM 0 HG22 THR A 85 4.080 -6.973 -7.182 1.00 75.00 H new ATOM 0 HG23 THR A 85 5.037 -7.831 -5.952 1.00 75.00 H new ATOM 1379 N ARG A 86 7.501 -4.312 -8.767 1.00 75.00 N ATOM 1380 CA ARG A 86 8.332 -3.137 -9.049 1.00 75.00 C ATOM 1381 C ARG A 86 7.688 -1.907 -8.402 1.00 75.00 C ATOM 1382 O ARG A 86 6.454 -1.818 -8.324 1.00 75.00 O ATOM 1383 CB ARG A 86 8.481 -2.927 -10.578 1.00 75.00 C ATOM 1384 CG ARG A 86 9.467 -1.807 -10.980 1.00 75.00 C ATOM 1385 CD ARG A 86 9.417 -1.476 -12.478 1.00 75.00 C ATOM 1386 NE ARG A 86 8.085 -1.000 -12.894 1.00 75.00 N ATOM 1387 CZ ARG A 86 7.811 -0.324 -14.025 1.00 75.00 C ATOM 1388 NH1 ARG A 86 8.772 -0.018 -14.900 1.00 75.00 N ATOM 1389 NH2 ARG A 86 6.559 0.055 -14.265 1.00 75.00 N ATOM 0 H ARG A 86 6.654 -4.365 -9.333 1.00 75.00 H new ATOM 0 HA ARG A 86 9.328 -3.290 -8.634 1.00 75.00 H new ATOM 0 HB2 ARG A 86 8.811 -3.863 -11.030 1.00 75.00 H new ATOM 0 HB3 ARG A 86 7.501 -2.698 -10.997 1.00 75.00 H new ATOM 0 HG2 ARG A 86 9.241 -0.908 -10.407 1.00 75.00 H new ATOM 0 HG3 ARG A 86 10.480 -2.109 -10.713 1.00 75.00 H new ATOM 0 HD2 ARG A 86 10.162 -0.714 -12.706 1.00 75.00 H new ATOM 0 HD3 ARG A 86 9.682 -2.363 -13.054 1.00 75.00 H new ATOM 0 HE ARG A 86 7.303 -1.200 -12.270 1.00 75.00 H new ATOM 0 HH11 ARG A 86 9.736 -0.297 -14.717 1.00 75.00 H new ATOM 0 HH12 ARG A 86 8.542 0.495 -15.751 1.00 75.00 H new ATOM 0 HH21 ARG A 86 5.822 -0.167 -13.596 1.00 75.00 H new ATOM 0 HH22 ARG A 86 6.336 0.568 -15.118 1.00 75.00 H new ATOM 1403 N GLU A 87 8.532 -0.977 -7.926 1.00 75.00 N ATOM 1404 CA GLU A 87 8.098 0.343 -7.480 1.00 75.00 C ATOM 1405 C GLU A 87 7.485 1.099 -8.663 1.00 75.00 C ATOM 1406 O GLU A 87 8.096 1.180 -9.741 1.00 75.00 O ATOM 1407 CB GLU A 87 9.296 1.132 -6.890 1.00 75.00 C ATOM 1408 CG GLU A 87 9.834 0.588 -5.555 1.00 75.00 C ATOM 1409 CD GLU A 87 8.823 0.731 -4.402 1.00 75.00 C ATOM 1410 OE1 GLU A 87 8.669 1.855 -3.873 1.00 75.00 O ATOM 1411 OE2 GLU A 87 8.172 -0.269 -4.026 1.00 75.00 O ATOM 0 H GLU A 87 9.537 -1.127 -7.842 1.00 75.00 H new ATOM 0 HA GLU A 87 7.347 0.233 -6.698 1.00 75.00 H new ATOM 0 HB2 GLU A 87 10.107 1.132 -7.619 1.00 75.00 H new ATOM 0 HB3 GLU A 87 8.995 2.170 -6.748 1.00 75.00 H new ATOM 0 HG2 GLU A 87 10.095 -0.463 -5.675 1.00 75.00 H new ATOM 0 HG3 GLU A 87 10.751 1.117 -5.296 1.00 75.00 H new ATOM 1418 N ALA A 88 6.268 1.604 -8.464 1.00 75.00 N ATOM 1419 CA ALA A 88 5.547 2.372 -9.480 1.00 75.00 C ATOM 1420 C ALA A 88 6.158 3.784 -9.621 1.00 75.00 C ATOM 1421 O ALA A 88 6.324 4.460 -8.605 1.00 75.00 O ATOM 1422 CB ALA A 88 4.071 2.445 -9.107 1.00 75.00 C ATOM 0 H ALA A 88 5.752 1.492 -7.591 1.00 75.00 H new ATOM 0 HA ALA A 88 5.638 1.874 -10.445 1.00 75.00 H new ATOM 0 HB1 ALA A 88 3.533 3.017 -9.863 1.00 75.00 H new ATOM 0 HB2 ALA A 88 3.659 1.437 -9.053 1.00 75.00 H new ATOM 0 HB3 ALA A 88 3.964 2.933 -8.138 1.00 75.00 H new ATOM 1428 N PRO A 89 6.528 4.234 -10.871 1.00 75.00 N ATOM 1429 CA PRO A 89 7.149 5.574 -11.114 1.00 75.00 C ATOM 1430 C PRO A 89 6.358 6.741 -10.455 1.00 75.00 C ATOM 1431 O PRO A 89 6.811 7.263 -9.405 1.00 75.00 O ATOM 1432 CB PRO A 89 7.172 5.674 -12.665 1.00 75.00 C ATOM 1433 CG PRO A 89 7.241 4.249 -13.126 1.00 75.00 C ATOM 1434 CD PRO A 89 6.384 3.472 -12.148 1.00 75.00 C ATOM 1435 OXT PRO A 89 5.250 7.064 -10.931 1.00 75.00 O ATOM 0 HA PRO A 89 8.138 5.662 -10.665 1.00 75.00 H new ATOM 0 HB2 PRO A 89 6.280 6.172 -13.045 1.00 75.00 H new ATOM 0 HB3 PRO A 89 8.031 6.247 -13.014 1.00 75.00 H new ATOM 0 HG2 PRO A 89 6.867 4.146 -14.145 1.00 75.00 H new ATOM 0 HG3 PRO A 89 8.268 3.884 -13.125 1.00 75.00 H new ATOM 0 HD2 PRO A 89 5.345 3.428 -12.473 1.00 75.00 H new ATOM 0 HD3 PRO A 89 6.729 2.443 -12.042 1.00 75.00 H new TER 1443 PRO A 89