USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 74 ASN : amide:sc= 1.16 K(o=1.1,f=-0.21) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.0102 X(o=1.1,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.61 K(o=-0.61,f=-5.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 5 THR OG1 : rot -110:sc= 0.871 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0029 F(o=-0.67,f=-0.0029) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.17) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.076) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 1.06 USER MOD Single : A 32 ASN : amide:sc= 1.13 K(o=1.1,f=-0.021) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0287 K(o=-0.029,f=-0.75) USER MOD Single : A 42 SER OG : rot 74:sc= 1.14 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 168:sc= -0.164 USER MOD Single : A 53 TYR OH : rot 45:sc= 0.0594 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc=-0.00128 (180deg=-0.0758) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.979 -16.584 -13.716 1.00 51.00 N ATOM 2 CA MET A 1 9.809 -17.859 -13.007 1.00 51.00 C ATOM 3 C MET A 1 8.815 -18.743 -13.724 1.00 44.00 C ATOM 4 O MET A 1 9.155 -19.826 -14.208 1.00 45.00 O ATOM 5 CB MET A 1 9.343 -17.632 -11.562 1.00 33.00 C ATOM 6 CG MET A 1 9.166 -18.919 -10.758 1.00 14.00 C ATOM 7 SD MET A 1 8.574 -18.617 -9.079 1.00 5.00 S ATOM 8 CE MET A 1 8.453 -20.297 -8.459 1.00 13.00 C ATOM 0 H1 MET A 1 10.666 -15.992 -13.206 1.00 51.00 H new ATOM 0 H2 MET A 1 10.326 -16.766 -14.679 1.00 51.00 H new ATOM 0 H3 MET A 1 9.065 -16.090 -13.765 1.00 51.00 H new ATOM 0 HA MET A 1 10.780 -18.354 -12.989 1.00 51.00 H new ATOM 0 HB2 MET A 1 10.066 -16.994 -11.054 1.00 33.00 H new ATOM 0 HB3 MET A 1 8.397 -17.092 -11.577 1.00 33.00 H new ATOM 0 HG2 MET A 1 8.462 -19.571 -11.275 1.00 14.00 H new ATOM 0 HG3 MET A 1 10.118 -19.448 -10.713 1.00 14.00 H new ATOM 0 HE1 MET A 1 8.099 -20.280 -7.428 1.00 13.00 H new ATOM 0 HE2 MET A 1 7.753 -20.862 -9.074 1.00 13.00 H new ATOM 0 HE3 MET A 1 9.434 -20.771 -8.498 1.00 13.00 H new ATOM 18 N GLN A 2 7.595 -18.284 -13.795 1.00 22.00 N ATOM 19 CA GLN A 2 6.536 -19.048 -14.378 1.00 34.00 C ATOM 20 C GLN A 2 6.333 -18.598 -15.797 1.00 72.00 C ATOM 21 O GLN A 2 6.962 -17.630 -16.252 1.00 23.00 O ATOM 22 CB GLN A 2 5.236 -18.800 -13.600 1.00 33.00 C ATOM 23 CG GLN A 2 5.333 -18.974 -12.086 1.00 15.00 C ATOM 24 CD GLN A 2 5.674 -20.382 -11.628 1.00 23.00 C ATOM 25 OE1 GLN A 2 6.356 -21.140 -12.305 1.00 74.00 O ATOM 26 NE2 GLN A 2 5.205 -20.731 -10.477 1.00 1.00 N ATOM 0 H GLN A 2 7.311 -17.368 -13.448 1.00 22.00 H new ATOM 0 HA GLN A 2 6.793 -20.107 -14.346 1.00 34.00 H new ATOM 0 HB2 GLN A 2 4.895 -17.786 -13.811 1.00 33.00 H new ATOM 0 HB3 GLN A 2 4.472 -19.479 -13.978 1.00 33.00 H new ATOM 0 HG2 GLN A 2 6.090 -18.289 -11.703 1.00 15.00 H new ATOM 0 HG3 GLN A 2 4.383 -18.682 -11.639 1.00 15.00 H new ATOM 0 HE21 GLN A 2 4.640 -20.076 -9.937 1.00 1.00 H new ATOM 0 HE22 GLN A 2 5.400 -21.662 -10.108 1.00 1.00 H new ATOM 35 N THR A 3 5.488 -19.282 -16.487 1.00 50.00 N ATOM 36 CA THR A 3 5.082 -18.878 -17.783 1.00 10.00 C ATOM 37 C THR A 3 4.114 -17.729 -17.592 1.00 44.00 C ATOM 38 O THR A 3 3.299 -17.746 -16.664 1.00 44.00 O ATOM 39 CB THR A 3 4.394 -20.044 -18.476 1.00 45.00 C ATOM 40 OG1 THR A 3 5.162 -21.223 -18.216 1.00 33.00 O ATOM 41 CG2 THR A 3 4.377 -19.836 -19.963 1.00 43.00 C ATOM 0 H THR A 3 5.056 -20.147 -16.162 1.00 50.00 H new ATOM 0 HA THR A 3 5.928 -18.570 -18.398 1.00 10.00 H new ATOM 0 HB THR A 3 3.372 -20.129 -18.107 1.00 45.00 H new ATOM 0 HG1 THR A 3 4.738 -21.992 -18.651 1.00 33.00 H new ATOM 0 HG21 THR A 3 3.881 -20.680 -20.443 1.00 43.00 H new ATOM 0 HG22 THR A 3 3.838 -18.918 -20.196 1.00 43.00 H new ATOM 0 HG23 THR A 3 5.400 -19.759 -20.331 1.00 43.00 H new ATOM 49 N ASP A 4 4.242 -16.735 -18.410 1.00 51.00 N ATOM 50 CA ASP A 4 3.433 -15.534 -18.307 1.00 24.00 C ATOM 51 C ASP A 4 1.985 -15.871 -18.644 1.00 53.00 C ATOM 52 O ASP A 4 1.739 -16.754 -19.449 1.00 22.00 O ATOM 53 CB ASP A 4 3.971 -14.477 -19.275 1.00 5.00 C ATOM 54 CG ASP A 4 5.355 -13.961 -18.943 1.00 10.00 C ATOM 55 OD1 ASP A 4 6.333 -14.750 -18.987 1.00 44.00 O ATOM 56 OD2 ASP A 4 5.518 -12.761 -18.678 1.00 54.00 O ATOM 0 H ASP A 4 4.912 -16.720 -19.179 1.00 51.00 H new ATOM 0 HA ASP A 4 3.478 -15.141 -17.291 1.00 24.00 H new ATOM 0 HB2 ASP A 4 3.987 -14.899 -20.280 1.00 5.00 H new ATOM 0 HB3 ASP A 4 3.279 -13.635 -19.293 1.00 5.00 H new ATOM 61 N THR A 5 1.041 -15.199 -18.042 1.00 11.00 N ATOM 62 CA THR A 5 -0.353 -15.483 -18.304 1.00 63.00 C ATOM 63 C THR A 5 -1.174 -14.228 -18.247 1.00 61.00 C ATOM 64 O THR A 5 -0.778 -13.241 -17.628 1.00 4.00 O ATOM 65 CB THR A 5 -0.958 -16.523 -17.305 1.00 11.00 C ATOM 66 OG1 THR A 5 -2.330 -16.789 -17.656 1.00 22.00 O ATOM 67 CG2 THR A 5 -0.927 -16.004 -15.874 1.00 61.00 C ATOM 0 H THR A 5 1.206 -14.452 -17.368 1.00 11.00 H new ATOM 0 HA THR A 5 -0.388 -15.912 -19.305 1.00 63.00 H new ATOM 0 HB THR A 5 -0.356 -17.430 -17.368 1.00 11.00 H new ATOM 0 HG1 THR A 5 -2.922 -16.406 -16.976 1.00 22.00 H new ATOM 0 HG21 THR A 5 -1.355 -16.752 -15.206 1.00 61.00 H new ATOM 0 HG22 THR A 5 0.104 -15.804 -15.582 1.00 61.00 H new ATOM 0 HG23 THR A 5 -1.508 -15.084 -15.808 1.00 61.00 H new ATOM 75 N LEU A 6 -2.303 -14.246 -18.919 1.00 71.00 N ATOM 76 CA LEU A 6 -3.210 -13.202 -18.842 1.00 61.00 C ATOM 77 C LEU A 6 -3.947 -13.153 -17.513 1.00 33.00 C ATOM 78 O LEU A 6 -3.740 -14.005 -16.651 1.00 5.00 O ATOM 79 CB LEU A 6 -4.100 -13.121 -20.068 1.00 25.00 C ATOM 80 CG LEU A 6 -3.456 -12.364 -21.230 1.00 20.00 C ATOM 81 CD1 LEU A 6 -2.205 -13.015 -21.798 1.00 13.00 C ATOM 82 CD2 LEU A 6 -4.439 -11.939 -22.290 1.00 74.00 C ATOM 0 H LEU A 6 -2.589 -15.009 -19.532 1.00 71.00 H new ATOM 0 HA LEU A 6 -2.633 -12.277 -18.856 1.00 61.00 H new ATOM 0 HB2 LEU A 6 -4.351 -14.130 -20.395 1.00 25.00 H new ATOM 0 HB3 LEU A 6 -5.036 -12.632 -19.798 1.00 25.00 H new ATOM 0 HG LEU A 6 -3.096 -11.442 -20.774 1.00 20.00 H new ATOM 0 HD11 LEU A 6 -1.819 -12.408 -22.617 1.00 13.00 H new ATOM 0 HD12 LEU A 6 -1.449 -13.094 -21.017 1.00 13.00 H new ATOM 0 HD13 LEU A 6 -2.449 -14.011 -22.168 1.00 13.00 H new ATOM 0 HD21 LEU A 6 -3.912 -11.408 -23.083 1.00 74.00 H new ATOM 0 HD22 LEU A 6 -4.928 -12.819 -22.706 1.00 74.00 H new ATOM 0 HD23 LEU A 6 -5.188 -11.282 -21.849 1.00 74.00 H new ATOM 94 N GLU A 7 -4.851 -12.193 -17.376 1.00 14.00 N ATOM 95 CA GLU A 7 -5.428 -11.877 -16.106 1.00 22.00 C ATOM 96 C GLU A 7 -6.475 -12.923 -15.714 1.00 31.00 C ATOM 97 O GLU A 7 -6.875 -13.032 -14.551 1.00 22.00 O ATOM 98 CB GLU A 7 -6.095 -10.503 -16.179 1.00 25.00 C ATOM 99 CG GLU A 7 -6.640 -10.072 -14.841 1.00 75.00 C ATOM 100 CD GLU A 7 -7.303 -8.743 -14.841 1.00 22.00 C ATOM 101 OE1 GLU A 7 -8.473 -8.661 -15.204 1.00 44.00 O ATOM 102 OE2 GLU A 7 -6.665 -7.765 -14.427 1.00 71.00 O ATOM 0 H GLU A 7 -5.195 -11.621 -18.148 1.00 14.00 H new ATOM 0 HA GLU A 7 -4.637 -11.871 -15.356 1.00 22.00 H new ATOM 0 HB2 GLU A 7 -5.372 -9.767 -16.531 1.00 25.00 H new ATOM 0 HB3 GLU A 7 -6.904 -10.530 -16.909 1.00 25.00 H new ATOM 0 HG2 GLU A 7 -7.355 -10.820 -14.497 1.00 75.00 H new ATOM 0 HG3 GLU A 7 -5.823 -10.056 -14.119 1.00 75.00 H new ATOM 109 N TYR A 8 -6.857 -13.723 -16.705 1.00 64.00 N ATOM 110 CA TYR A 8 -7.970 -14.661 -16.655 1.00 41.00 C ATOM 111 C TYR A 8 -9.313 -14.068 -16.193 1.00 30.00 C ATOM 112 O TYR A 8 -10.225 -14.798 -15.838 1.00 11.00 O ATOM 113 CB TYR A 8 -7.660 -16.041 -16.007 1.00 53.00 C ATOM 114 CG TYR A 8 -7.138 -16.051 -14.586 1.00 44.00 C ATOM 115 CD1 TYR A 8 -7.982 -15.838 -13.501 1.00 61.00 C ATOM 116 CD2 TYR A 8 -5.798 -16.289 -14.334 1.00 65.00 C ATOM 117 CE1 TYR A 8 -7.499 -15.861 -12.211 1.00 74.00 C ATOM 118 CE2 TYR A 8 -5.311 -16.317 -13.052 1.00 41.00 C ATOM 119 CZ TYR A 8 -6.163 -16.104 -11.992 1.00 54.00 C ATOM 120 OH TYR A 8 -5.670 -16.129 -10.701 1.00 32.00 O ATOM 0 H TYR A 8 -6.376 -13.734 -17.605 1.00 64.00 H new ATOM 0 HA TYR A 8 -8.111 -14.882 -17.713 1.00 41.00 H new ATOM 0 HB2 TYR A 8 -8.573 -16.636 -16.033 1.00 53.00 H new ATOM 0 HB3 TYR A 8 -6.930 -16.550 -16.636 1.00 53.00 H new ATOM 0 HD1 TYR A 8 -9.032 -15.652 -13.672 1.00 61.00 H new ATOM 0 HD2 TYR A 8 -5.124 -16.456 -15.161 1.00 65.00 H new ATOM 0 HE1 TYR A 8 -8.164 -15.689 -11.378 1.00 74.00 H new ATOM 0 HE2 TYR A 8 -4.262 -16.506 -12.875 1.00 41.00 H new ATOM 0 HH TYR A 8 -4.708 -16.315 -10.722 1.00 32.00 H new ATOM 130 N GLN A 9 -9.462 -12.772 -16.306 1.00 50.00 N ATOM 131 CA GLN A 9 -10.683 -12.112 -15.912 1.00 42.00 C ATOM 132 C GLN A 9 -11.194 -11.377 -17.066 1.00 43.00 C ATOM 133 O GLN A 9 -10.841 -10.228 -17.304 1.00 45.00 O ATOM 134 CB GLN A 9 -10.478 -11.171 -14.765 1.00 15.00 C ATOM 135 CG GLN A 9 -10.012 -11.853 -13.537 1.00 24.00 C ATOM 136 CD GLN A 9 -9.804 -10.889 -12.380 1.00 50.00 C ATOM 137 OE1 GLN A 9 -9.461 -9.657 -12.679 1.00 64.00 O flip ATOM 138 NE2 GLN A 9 -9.942 -11.257 -11.214 1.00 61.00 N flip ATOM 0 H GLN A 9 -8.744 -12.146 -16.672 1.00 50.00 H new ATOM 0 HA GLN A 9 -11.393 -12.868 -15.578 1.00 42.00 H new ATOM 0 HB2 GLN A 9 -9.751 -10.411 -15.051 1.00 15.00 H new ATOM 0 HB3 GLN A 9 -11.414 -10.654 -14.554 1.00 15.00 H new ATOM 0 HG2 GLN A 9 -10.740 -12.611 -13.248 1.00 24.00 H new ATOM 0 HG3 GLN A 9 -9.077 -12.372 -13.746 1.00 24.00 H new ATOM 0 HE21 GLN A 9 -10.209 -12.220 -11.011 1.00 61.00 H new ATOM 0 HE22 GLN A 9 -9.789 -10.599 -10.450 1.00 61.00 H new ATOM 147 N CYS A 10 -11.931 -12.049 -17.835 1.00 62.00 N ATOM 148 CA CYS A 10 -12.427 -11.486 -19.039 1.00 71.00 C ATOM 149 C CYS A 10 -13.907 -11.768 -19.166 1.00 45.00 C ATOM 150 O CYS A 10 -14.381 -12.810 -18.718 1.00 44.00 O ATOM 151 CB CYS A 10 -11.567 -11.987 -20.217 1.00 23.00 C ATOM 152 SG CYS A 10 -9.781 -11.547 -19.997 1.00 61.00 S ATOM 0 H CYS A 10 -12.219 -13.012 -17.662 1.00 62.00 H new ATOM 0 HA CYS A 10 -12.341 -10.399 -19.040 1.00 71.00 H new ATOM 0 HB2 CYS A 10 -11.667 -13.069 -20.306 1.00 23.00 H new ATOM 0 HB3 CYS A 10 -11.936 -11.555 -21.147 1.00 23.00 H new ATOM 157 N ASP A 11 -14.636 -10.809 -19.731 1.00 23.00 N ATOM 158 CA ASP A 11 -16.122 -10.828 -19.829 1.00 23.00 C ATOM 159 C ASP A 11 -16.648 -12.077 -20.460 1.00 63.00 C ATOM 160 O ASP A 11 -17.721 -12.571 -20.112 1.00 51.00 O ATOM 161 CB ASP A 11 -16.619 -9.637 -20.639 1.00 22.00 C ATOM 162 CG ASP A 11 -16.274 -8.322 -20.018 1.00 51.00 C ATOM 163 OD1 ASP A 11 -15.093 -7.939 -20.046 1.00 31.00 O ATOM 164 OD2 ASP A 11 -17.170 -7.643 -19.489 1.00 11.00 O ATOM 0 H ASP A 11 -14.219 -9.976 -20.145 1.00 23.00 H new ATOM 0 HA ASP A 11 -16.491 -10.781 -18.804 1.00 23.00 H new ATOM 0 HB2 ASP A 11 -16.192 -9.682 -21.641 1.00 22.00 H new ATOM 0 HB3 ASP A 11 -17.701 -9.707 -20.751 1.00 22.00 H new ATOM 169 N GLU A 12 -15.913 -12.586 -21.379 1.00 1.00 N ATOM 170 CA GLU A 12 -16.326 -13.747 -22.078 1.00 24.00 C ATOM 171 C GLU A 12 -15.872 -14.989 -21.392 1.00 65.00 C ATOM 172 O GLU A 12 -16.668 -15.873 -21.099 1.00 24.00 O ATOM 173 CB GLU A 12 -15.771 -13.723 -23.478 1.00 13.00 C ATOM 174 CG GLU A 12 -16.228 -12.549 -24.282 1.00 12.00 C ATOM 175 CD GLU A 12 -17.699 -12.626 -24.580 1.00 4.00 C ATOM 176 OE1 GLU A 12 -18.092 -13.472 -25.408 1.00 24.00 O ATOM 177 OE2 GLU A 12 -18.478 -11.850 -24.015 1.00 72.00 O ATOM 0 H GLU A 12 -15.010 -12.211 -21.668 1.00 1.00 H new ATOM 0 HA GLU A 12 -17.416 -13.749 -22.106 1.00 24.00 H new ATOM 0 HB2 GLU A 12 -14.682 -13.717 -23.428 1.00 13.00 H new ATOM 0 HB3 GLU A 12 -16.062 -14.640 -23.991 1.00 13.00 H new ATOM 0 HG2 GLU A 12 -16.013 -11.629 -23.739 1.00 12.00 H new ATOM 0 HG3 GLU A 12 -15.668 -12.506 -25.216 1.00 12.00 H new ATOM 184 N LYS A 13 -14.608 -15.028 -21.078 1.00 43.00 N ATOM 185 CA LYS A 13 -13.971 -16.264 -20.687 1.00 31.00 C ATOM 186 C LYS A 13 -12.909 -15.943 -19.699 1.00 52.00 C ATOM 187 O LYS A 13 -12.355 -14.846 -19.742 1.00 14.00 O ATOM 188 CB LYS A 13 -13.223 -16.895 -21.901 1.00 33.00 C ATOM 189 CG LYS A 13 -13.978 -16.948 -23.233 1.00 4.00 C ATOM 190 CD LYS A 13 -15.287 -17.741 -23.136 1.00 4.00 C ATOM 191 CE LYS A 13 -15.077 -19.172 -22.673 1.00 61.00 C ATOM 192 NZ LYS A 13 -16.359 -19.831 -22.349 1.00 2.00 N ATOM 0 H LYS A 13 -13.991 -14.216 -21.084 1.00 43.00 H new ATOM 0 HA LYS A 13 -14.733 -16.939 -20.298 1.00 31.00 H new ATOM 0 HB2 LYS A 13 -12.300 -16.337 -22.057 1.00 33.00 H new ATOM 0 HB3 LYS A 13 -12.939 -17.912 -21.632 1.00 33.00 H new ATOM 0 HG2 LYS A 13 -14.196 -15.933 -23.564 1.00 4.00 H new ATOM 0 HG3 LYS A 13 -13.339 -17.400 -23.991 1.00 4.00 H new ATOM 0 HD2 LYS A 13 -15.962 -17.236 -22.445 1.00 4.00 H new ATOM 0 HD3 LYS A 13 -15.775 -17.748 -24.111 1.00 4.00 H new ATOM 0 HE2 LYS A 13 -14.564 -19.736 -23.452 1.00 61.00 H new ATOM 0 HE3 LYS A 13 -14.431 -19.180 -21.795 1.00 61.00 H new ATOM 0 HZ1 LYS A 13 -16.173 -20.748 -21.894 1.00 2.00 H new ATOM 0 HZ2 LYS A 13 -16.905 -19.228 -21.702 1.00 2.00 H new ATOM 0 HZ3 LYS A 13 -16.902 -19.982 -23.223 1.00 2.00 H new ATOM 206 N PRO A 14 -12.602 -16.840 -18.788 1.00 53.00 N ATOM 207 CA PRO A 14 -11.442 -16.680 -17.985 1.00 51.00 C ATOM 208 C PRO A 14 -10.239 -17.154 -18.820 1.00 51.00 C ATOM 209 O PRO A 14 -10.103 -18.346 -19.120 1.00 53.00 O ATOM 210 CB PRO A 14 -11.694 -17.574 -16.768 1.00 71.00 C ATOM 211 CG PRO A 14 -12.661 -18.618 -17.234 1.00 33.00 C ATOM 212 CD PRO A 14 -13.368 -18.059 -18.449 1.00 70.00 C ATOM 0 HA PRO A 14 -11.238 -15.658 -17.666 1.00 51.00 H new ATOM 0 HB2 PRO A 14 -10.768 -18.027 -16.415 1.00 71.00 H new ATOM 0 HB3 PRO A 14 -12.105 -17.000 -15.938 1.00 71.00 H new ATOM 0 HG2 PRO A 14 -12.140 -19.542 -17.483 1.00 33.00 H new ATOM 0 HG3 PRO A 14 -13.377 -18.858 -16.448 1.00 33.00 H new ATOM 0 HD2 PRO A 14 -13.366 -18.772 -19.273 1.00 70.00 H new ATOM 0 HD3 PRO A 14 -14.410 -17.826 -18.231 1.00 70.00 H new ATOM 220 N LEU A 15 -9.382 -16.246 -19.200 1.00 33.00 N ATOM 221 CA LEU A 15 -8.373 -16.548 -20.143 1.00 25.00 C ATOM 222 C LEU A 15 -7.062 -16.683 -19.476 1.00 74.00 C ATOM 223 O LEU A 15 -6.419 -15.681 -19.112 1.00 32.00 O ATOM 224 CB LEU A 15 -8.288 -15.478 -21.226 1.00 60.00 C ATOM 225 CG LEU A 15 -7.133 -15.656 -22.205 1.00 0.00 C ATOM 226 CD1 LEU A 15 -7.284 -16.946 -22.996 1.00 41.00 C ATOM 227 CD2 LEU A 15 -7.001 -14.474 -23.130 1.00 61.00 C ATOM 0 H LEU A 15 -9.374 -15.285 -18.859 1.00 33.00 H new ATOM 0 HA LEU A 15 -8.637 -17.496 -20.613 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -9.223 -15.471 -21.786 1.00 60.00 H new ATOM 0 HB3 LEU A 15 -8.195 -14.503 -20.748 1.00 60.00 H new ATOM 0 HG LEU A 15 -6.216 -15.719 -21.619 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.447 -17.049 -23.687 1.00 41.00 H new ATOM 0 HD12 LEU A 15 -7.295 -17.794 -22.311 1.00 41.00 H new ATOM 0 HD13 LEU A 15 -8.218 -16.921 -23.558 1.00 41.00 H new ATOM 0 HD21 LEU A 15 -6.167 -14.638 -23.813 1.00 61.00 H new ATOM 0 HD22 LEU A 15 -7.921 -14.355 -23.702 1.00 61.00 H new ATOM 0 HD23 LEU A 15 -6.819 -13.573 -22.545 1.00 61.00 H new ATOM 239 N THR A 16 -6.669 -17.875 -19.274 1.00 43.00 N ATOM 240 CA THR A 16 -5.411 -18.094 -18.722 1.00 1.00 C ATOM 241 C THR A 16 -4.503 -18.533 -19.892 1.00 60.00 C ATOM 242 O THR A 16 -4.927 -19.351 -20.721 1.00 42.00 O ATOM 243 CB THR A 16 -5.468 -19.162 -17.615 1.00 13.00 C ATOM 244 OG1 THR A 16 -6.634 -18.927 -16.809 1.00 4.00 O ATOM 245 CG2 THR A 16 -4.259 -19.042 -16.718 1.00 41.00 C ATOM 0 H THR A 16 -7.208 -18.715 -19.486 1.00 43.00 H new ATOM 0 HA THR A 16 -5.023 -17.194 -18.245 1.00 1.00 H new ATOM 0 HB THR A 16 -5.495 -20.150 -18.075 1.00 13.00 H new ATOM 0 HG1 THR A 16 -6.683 -19.602 -16.100 1.00 4.00 H new ATOM 0 HG21 THR A 16 -4.308 -19.802 -15.938 1.00 41.00 H new ATOM 0 HG22 THR A 16 -3.353 -19.185 -17.307 1.00 41.00 H new ATOM 0 HG23 THR A 16 -4.242 -18.053 -16.261 1.00 41.00 H new ATOM 253 N VAL A 17 -3.302 -17.994 -19.981 1.00 40.00 N ATOM 254 CA VAL A 17 -2.444 -18.216 -21.145 1.00 72.00 C ATOM 255 C VAL A 17 -1.082 -18.685 -20.707 1.00 42.00 C ATOM 256 O VAL A 17 -0.632 -18.338 -19.649 1.00 10.00 O ATOM 257 CB VAL A 17 -2.267 -16.891 -21.980 1.00 73.00 C ATOM 258 CG1 VAL A 17 -1.358 -17.082 -23.195 1.00 23.00 C ATOM 259 CG2 VAL A 17 -3.609 -16.337 -22.420 1.00 45.00 C ATOM 0 H VAL A 17 -2.892 -17.397 -19.263 1.00 40.00 H new ATOM 0 HA VAL A 17 -2.923 -18.974 -21.765 1.00 72.00 H new ATOM 0 HB VAL A 17 -1.785 -16.173 -21.316 1.00 73.00 H new ATOM 0 HG11 VAL A 17 -1.270 -16.139 -23.735 1.00 23.00 H new ATOM 0 HG12 VAL A 17 -0.371 -17.404 -22.864 1.00 23.00 H new ATOM 0 HG13 VAL A 17 -1.785 -17.839 -23.853 1.00 23.00 H new ATOM 0 HG21 VAL A 17 -3.455 -15.423 -22.994 1.00 45.00 H new ATOM 0 HG22 VAL A 17 -4.121 -17.073 -23.040 1.00 45.00 H new ATOM 0 HG23 VAL A 17 -4.217 -16.116 -21.543 1.00 45.00 H new ATOM 269 N LYS A 18 -0.449 -19.500 -21.504 1.00 13.00 N ATOM 270 CA LYS A 18 0.885 -19.858 -21.253 1.00 14.00 C ATOM 271 C LYS A 18 1.750 -19.126 -22.216 1.00 42.00 C ATOM 272 O LYS A 18 2.065 -19.619 -23.293 1.00 60.00 O ATOM 273 CB LYS A 18 1.134 -21.382 -21.264 1.00 2.00 C ATOM 274 CG LYS A 18 0.650 -22.112 -20.003 1.00 22.00 C ATOM 275 CD LYS A 18 -0.862 -22.067 -19.834 1.00 60.00 C ATOM 276 CE LYS A 18 -1.308 -22.660 -18.503 1.00 52.00 C ATOM 277 NZ LYS A 18 -0.897 -24.065 -18.349 1.00 35.00 N ATOM 0 H LYS A 18 -0.857 -19.924 -22.338 1.00 13.00 H new ATOM 0 HA LYS A 18 1.138 -19.565 -20.234 1.00 14.00 H new ATOM 0 HB2 LYS A 18 0.636 -21.813 -22.132 1.00 2.00 H new ATOM 0 HB3 LYS A 18 2.202 -21.563 -21.387 1.00 2.00 H new ATOM 0 HG2 LYS A 18 0.975 -23.152 -20.044 1.00 22.00 H new ATOM 0 HG3 LYS A 18 1.122 -21.665 -19.128 1.00 22.00 H new ATOM 0 HD2 LYS A 18 -1.203 -21.034 -19.903 1.00 60.00 H new ATOM 0 HD3 LYS A 18 -1.334 -22.614 -20.650 1.00 60.00 H new ATOM 0 HE2 LYS A 18 -0.890 -22.070 -17.687 1.00 52.00 H new ATOM 0 HE3 LYS A 18 -2.393 -22.591 -18.423 1.00 52.00 H new ATOM 0 HZ1 LYS A 18 -1.309 -24.454 -17.477 1.00 35.00 H new ATOM 0 HZ2 LYS A 18 -1.231 -24.616 -19.165 1.00 35.00 H new ATOM 0 HZ3 LYS A 18 0.140 -24.119 -18.296 1.00 35.00 H new ATOM 291 N LEU A 19 2.016 -17.893 -21.866 1.00 43.00 N ATOM 292 CA LEU A 19 2.857 -17.020 -22.620 1.00 31.00 C ATOM 293 C LEU A 19 4.264 -17.399 -22.404 1.00 31.00 C ATOM 294 O LEU A 19 4.897 -16.998 -21.417 1.00 34.00 O ATOM 295 CB LEU A 19 2.671 -15.565 -22.210 1.00 11.00 C ATOM 296 CG LEU A 19 1.621 -14.737 -22.933 1.00 13.00 C ATOM 297 CD1 LEU A 19 1.348 -13.476 -22.146 1.00 54.00 C ATOM 298 CD2 LEU A 19 2.145 -14.342 -24.300 1.00 50.00 C ATOM 0 H LEU A 19 1.638 -17.463 -21.022 1.00 43.00 H new ATOM 0 HA LEU A 19 2.585 -17.116 -23.671 1.00 31.00 H new ATOM 0 HB2 LEU A 19 2.432 -15.548 -21.147 1.00 11.00 H new ATOM 0 HB3 LEU A 19 3.630 -15.062 -22.329 1.00 11.00 H new ATOM 0 HG LEU A 19 0.708 -15.324 -23.034 1.00 13.00 H new ATOM 0 HD11 LEU A 19 0.595 -12.880 -22.663 1.00 54.00 H new ATOM 0 HD12 LEU A 19 0.984 -13.739 -21.153 1.00 54.00 H new ATOM 0 HD13 LEU A 19 2.268 -12.898 -22.054 1.00 54.00 H new ATOM 0 HD21 LEU A 19 1.393 -13.748 -24.820 1.00 50.00 H new ATOM 0 HD22 LEU A 19 3.056 -13.754 -24.185 1.00 50.00 H new ATOM 0 HD23 LEU A 19 2.363 -15.239 -24.879 1.00 50.00 H new ATOM 310 N ASN A 20 4.738 -18.226 -23.246 1.00 15.00 N ATOM 311 CA ASN A 20 6.123 -18.593 -23.212 1.00 25.00 C ATOM 312 C ASN A 20 6.859 -17.510 -23.927 1.00 52.00 C ATOM 313 O ASN A 20 7.080 -17.596 -25.123 1.00 3.00 O ATOM 314 CB ASN A 20 6.397 -19.956 -23.872 1.00 32.00 C ATOM 315 CG ASN A 20 5.769 -21.124 -23.146 1.00 14.00 C ATOM 316 OD1 ASN A 20 6.382 -21.720 -22.277 1.00 53.00 O ATOM 317 ND2 ASN A 20 4.553 -21.456 -23.490 1.00 25.00 N ATOM 0 H ASN A 20 4.193 -18.675 -23.982 1.00 15.00 H new ATOM 0 HA ASN A 20 6.450 -18.700 -22.178 1.00 25.00 H new ATOM 0 HB2 ASN A 20 6.025 -19.934 -24.896 1.00 32.00 H new ATOM 0 HB3 ASN A 20 7.474 -20.112 -23.928 1.00 32.00 H new ATOM 0 HD21 ASN A 20 4.087 -22.236 -23.027 1.00 25.00 H new ATOM 0 HD22 ASN A 20 4.070 -20.935 -24.222 1.00 25.00 H new ATOM 324 N ASN A 21 7.151 -16.459 -23.189 1.00 11.00 N ATOM 325 CA ASN A 21 7.743 -15.221 -23.693 1.00 10.00 C ATOM 326 C ASN A 21 8.965 -15.479 -24.602 1.00 35.00 C ATOM 327 O ASN A 21 8.945 -15.067 -25.761 1.00 3.00 O ATOM 328 CB ASN A 21 8.091 -14.277 -22.515 1.00 11.00 C ATOM 329 CG ASN A 21 8.418 -12.843 -22.929 1.00 54.00 C ATOM 330 OD1 ASN A 21 8.892 -12.583 -24.027 1.00 43.00 O ATOM 331 ND2 ASN A 21 8.168 -11.908 -22.045 1.00 2.00 N ATOM 0 H ASN A 21 6.979 -16.435 -22.184 1.00 11.00 H new ATOM 0 HA ASN A 21 7.000 -14.729 -24.321 1.00 10.00 H new ATOM 0 HB2 ASN A 21 7.251 -14.259 -21.820 1.00 11.00 H new ATOM 0 HB3 ASN A 21 8.943 -14.689 -21.975 1.00 11.00 H new ATOM 0 HD21 ASN A 21 8.369 -10.932 -22.264 1.00 2.00 H new ATOM 0 HD22 ASN A 21 7.773 -12.156 -21.138 1.00 2.00 H new ATOM 338 N PRO A 22 10.024 -16.219 -24.141 1.00 15.00 N ATOM 339 CA PRO A 22 11.217 -16.468 -24.970 1.00 63.00 C ATOM 340 C PRO A 22 10.924 -17.276 -26.246 1.00 61.00 C ATOM 341 O PRO A 22 11.699 -17.264 -27.185 1.00 74.00 O ATOM 342 CB PRO A 22 12.139 -17.265 -24.048 1.00 2.00 C ATOM 343 CG PRO A 22 11.235 -17.863 -23.052 1.00 44.00 C ATOM 344 CD PRO A 22 10.183 -16.844 -22.803 1.00 15.00 C ATOM 0 HA PRO A 22 11.641 -15.530 -25.329 1.00 63.00 H new ATOM 0 HB2 PRO A 22 12.686 -18.031 -24.598 1.00 2.00 H new ATOM 0 HB3 PRO A 22 12.881 -16.621 -23.575 1.00 2.00 H new ATOM 0 HG2 PRO A 22 10.801 -18.791 -23.424 1.00 44.00 H new ATOM 0 HG3 PRO A 22 11.770 -18.107 -22.134 1.00 44.00 H new ATOM 0 HD2 PRO A 22 9.255 -17.295 -22.452 1.00 15.00 H new ATOM 0 HD3 PRO A 22 10.490 -16.119 -22.049 1.00 15.00 H new ATOM 352 N ARG A 23 9.795 -17.943 -26.278 1.00 32.00 N ATOM 353 CA ARG A 23 9.451 -18.794 -27.406 1.00 24.00 C ATOM 354 C ARG A 23 8.338 -18.171 -28.282 1.00 73.00 C ATOM 355 O ARG A 23 8.148 -18.579 -29.438 1.00 3.00 O ATOM 356 CB ARG A 23 9.045 -20.185 -26.891 1.00 61.00 C ATOM 357 CG ARG A 23 8.636 -21.171 -27.967 1.00 61.00 C ATOM 358 CD ARG A 23 8.233 -22.500 -27.373 1.00 73.00 C ATOM 359 NE ARG A 23 7.525 -23.324 -28.348 1.00 64.00 N ATOM 360 CZ ARG A 23 7.545 -24.653 -28.410 1.00 34.00 C ATOM 361 NH1 ARG A 23 8.301 -25.357 -27.579 1.00 55.00 N ATOM 362 NH2 ARG A 23 6.791 -25.274 -29.306 1.00 52.00 N ATOM 0 H ARG A 23 9.094 -17.917 -25.538 1.00 32.00 H new ATOM 0 HA ARG A 23 10.328 -18.892 -28.046 1.00 24.00 H new ATOM 0 HB2 ARG A 23 9.880 -20.607 -26.331 1.00 61.00 H new ATOM 0 HB3 ARG A 23 8.217 -20.070 -26.191 1.00 61.00 H new ATOM 0 HG2 ARG A 23 7.806 -20.761 -28.542 1.00 61.00 H new ATOM 0 HG3 ARG A 23 9.463 -21.317 -28.662 1.00 61.00 H new ATOM 0 HD2 ARG A 23 9.120 -23.028 -27.023 1.00 73.00 H new ATOM 0 HD3 ARG A 23 7.597 -22.334 -26.504 1.00 73.00 H new ATOM 0 HE ARG A 23 6.963 -22.836 -29.046 1.00 64.00 H new ATOM 0 HH11 ARG A 23 8.875 -24.880 -26.883 1.00 55.00 H new ATOM 0 HH12 ARG A 23 8.309 -26.375 -27.635 1.00 55.00 H new ATOM 0 HH21 ARG A 23 6.203 -24.733 -29.940 1.00 52.00 H new ATOM 0 HH22 ARG A 23 6.799 -26.292 -29.362 1.00 52.00 H new ATOM 376 N GLN A 24 7.641 -17.162 -27.734 1.00 32.00 N ATOM 377 CA GLN A 24 6.496 -16.494 -28.375 1.00 74.00 C ATOM 378 C GLN A 24 5.358 -17.489 -28.639 1.00 44.00 C ATOM 379 O GLN A 24 4.556 -17.323 -29.560 1.00 11.00 O ATOM 380 CB GLN A 24 6.929 -15.785 -29.649 1.00 34.00 C ATOM 381 CG GLN A 24 7.875 -14.621 -29.418 1.00 12.00 C ATOM 382 CD GLN A 24 8.206 -13.869 -30.688 1.00 75.00 C ATOM 383 OE1 GLN A 24 7.526 -12.914 -31.056 1.00 74.00 O ATOM 384 NE2 GLN A 24 9.244 -14.266 -31.357 1.00 2.00 N ATOM 0 H GLN A 24 7.862 -16.780 -26.814 1.00 32.00 H new ATOM 0 HA GLN A 24 6.114 -15.736 -27.691 1.00 74.00 H new ATOM 0 HB2 GLN A 24 7.412 -16.507 -30.308 1.00 34.00 H new ATOM 0 HB3 GLN A 24 6.043 -15.422 -30.169 1.00 34.00 H new ATOM 0 HG2 GLN A 24 7.428 -13.933 -28.701 1.00 12.00 H new ATOM 0 HG3 GLN A 24 8.797 -14.992 -28.971 1.00 12.00 H new ATOM 0 HE21 GLN A 24 9.790 -15.062 -31.027 1.00 2.00 H new ATOM 0 HE22 GLN A 24 9.515 -13.782 -32.213 1.00 2.00 H new ATOM 393 N GLU A 25 5.271 -18.479 -27.773 1.00 73.00 N ATOM 394 CA GLU A 25 4.293 -19.546 -27.880 1.00 41.00 C ATOM 395 C GLU A 25 3.273 -19.347 -26.786 1.00 61.00 C ATOM 396 O GLU A 25 3.643 -19.037 -25.649 1.00 51.00 O ATOM 397 CB GLU A 25 4.975 -20.871 -27.595 1.00 45.00 C ATOM 398 CG GLU A 25 4.275 -22.112 -28.120 1.00 14.00 C ATOM 399 CD GLU A 25 4.504 -22.304 -29.596 1.00 14.00 C ATOM 400 OE1 GLU A 25 5.690 -22.268 -30.024 1.00 65.00 O ATOM 401 OE2 GLU A 25 3.555 -22.568 -30.332 1.00 13.00 O ATOM 0 H GLU A 25 5.886 -18.567 -26.964 1.00 73.00 H new ATOM 0 HA GLU A 25 3.843 -19.540 -28.873 1.00 41.00 H new ATOM 0 HB2 GLU A 25 5.978 -20.838 -28.020 1.00 45.00 H new ATOM 0 HB3 GLU A 25 5.089 -20.973 -26.516 1.00 45.00 H new ATOM 0 HG2 GLU A 25 4.635 -22.988 -27.580 1.00 14.00 H new ATOM 0 HG3 GLU A 25 3.205 -22.035 -27.926 1.00 14.00 H new ATOM 408 N VAL A 26 2.035 -19.519 -27.103 1.00 72.00 N ATOM 409 CA VAL A 26 0.974 -19.446 -26.129 1.00 51.00 C ATOM 410 C VAL A 26 0.134 -20.670 -26.192 1.00 33.00 C ATOM 411 O VAL A 26 -0.142 -21.206 -27.258 1.00 23.00 O ATOM 412 CB VAL A 26 0.061 -18.195 -26.289 1.00 15.00 C ATOM 413 CG1 VAL A 26 0.831 -16.935 -26.069 1.00 2.00 C ATOM 414 CG2 VAL A 26 -0.640 -18.148 -27.627 1.00 2.00 C ATOM 0 H VAL A 26 1.717 -19.717 -28.052 1.00 72.00 H new ATOM 0 HA VAL A 26 1.465 -19.362 -25.160 1.00 51.00 H new ATOM 0 HB VAL A 26 -0.709 -18.281 -25.523 1.00 15.00 H new ATOM 0 HG11 VAL A 26 0.168 -16.078 -26.187 1.00 2.00 H new ATOM 0 HG12 VAL A 26 1.248 -16.935 -25.062 1.00 2.00 H new ATOM 0 HG13 VAL A 26 1.640 -16.871 -26.797 1.00 2.00 H new ATOM 0 HG21 VAL A 26 -1.262 -17.254 -27.681 1.00 2.00 H new ATOM 0 HG22 VAL A 26 0.101 -18.123 -28.426 1.00 2.00 H new ATOM 0 HG23 VAL A 26 -1.266 -19.033 -27.741 1.00 2.00 H new ATOM 424 N SER A 27 -0.207 -21.151 -25.076 1.00 70.00 N ATOM 425 CA SER A 27 -1.129 -22.202 -24.977 1.00 23.00 C ATOM 426 C SER A 27 -2.172 -21.708 -24.053 1.00 4.00 C ATOM 427 O SER A 27 -1.866 -21.334 -22.926 1.00 62.00 O ATOM 428 CB SER A 27 -0.461 -23.458 -24.452 1.00 24.00 C ATOM 429 OG SER A 27 0.675 -23.776 -25.254 1.00 53.00 O ATOM 0 H SER A 27 0.153 -20.821 -24.180 1.00 70.00 H new ATOM 0 HA SER A 27 -1.551 -22.477 -25.944 1.00 23.00 H new ATOM 0 HB2 SER A 27 -0.156 -23.312 -23.416 1.00 24.00 H new ATOM 0 HB3 SER A 27 -1.168 -24.288 -24.462 1.00 24.00 H new ATOM 0 HG SER A 27 1.103 -24.587 -24.909 1.00 53.00 H new ATOM 435 N PHE A 28 -3.358 -21.609 -24.517 1.00 55.00 N ATOM 436 CA PHE A 28 -4.371 -21.054 -23.703 1.00 11.00 C ATOM 437 C PHE A 28 -5.648 -21.797 -23.791 1.00 61.00 C ATOM 438 O PHE A 28 -5.817 -22.700 -24.619 1.00 4.00 O ATOM 439 CB PHE A 28 -4.547 -19.524 -23.867 1.00 60.00 C ATOM 440 CG PHE A 28 -4.985 -18.990 -25.200 1.00 43.00 C ATOM 441 CD1 PHE A 28 -6.305 -19.095 -25.611 1.00 73.00 C ATOM 442 CD2 PHE A 28 -4.088 -18.326 -26.013 1.00 43.00 C ATOM 443 CE1 PHE A 28 -6.714 -18.561 -26.807 1.00 14.00 C ATOM 444 CE2 PHE A 28 -4.494 -17.780 -27.206 1.00 23.00 C ATOM 445 CZ PHE A 28 -5.810 -17.899 -27.606 1.00 21.00 C ATOM 0 H PHE A 28 -3.652 -21.902 -25.449 1.00 55.00 H new ATOM 0 HA PHE A 28 -4.013 -21.182 -22.681 1.00 11.00 H new ATOM 0 HB2 PHE A 28 -5.272 -19.193 -23.123 1.00 60.00 H new ATOM 0 HB3 PHE A 28 -3.596 -19.053 -23.618 1.00 60.00 H new ATOM 0 HD1 PHE A 28 -7.020 -19.604 -24.982 1.00 73.00 H new ATOM 0 HD2 PHE A 28 -3.056 -18.235 -25.708 1.00 43.00 H new ATOM 0 HE1 PHE A 28 -7.743 -18.660 -27.121 1.00 14.00 H new ATOM 0 HE2 PHE A 28 -3.784 -17.258 -27.831 1.00 23.00 H new ATOM 0 HZ PHE A 28 -6.130 -17.473 -28.545 1.00 21.00 H new ATOM 455 N VAL A 29 -6.531 -21.404 -22.968 1.00 30.00 N ATOM 456 CA VAL A 29 -7.734 -22.061 -22.780 1.00 21.00 C ATOM 457 C VAL A 29 -8.863 -21.348 -23.508 1.00 64.00 C ATOM 458 O VAL A 29 -9.095 -20.156 -23.342 1.00 32.00 O ATOM 459 CB VAL A 29 -8.021 -22.250 -21.258 1.00 50.00 C ATOM 460 CG1 VAL A 29 -8.295 -20.943 -20.519 1.00 4.00 C ATOM 461 CG2 VAL A 29 -9.086 -23.288 -21.014 1.00 72.00 C ATOM 0 H VAL A 29 -6.421 -20.575 -22.384 1.00 30.00 H new ATOM 0 HA VAL A 29 -7.665 -23.057 -23.217 1.00 21.00 H new ATOM 0 HB VAL A 29 -7.096 -22.630 -20.824 1.00 50.00 H new ATOM 0 HG11 VAL A 29 -8.486 -21.153 -19.467 1.00 4.00 H new ATOM 0 HG12 VAL A 29 -7.429 -20.287 -20.607 1.00 4.00 H new ATOM 0 HG13 VAL A 29 -9.166 -20.454 -20.955 1.00 4.00 H new ATOM 0 HG21 VAL A 29 -9.256 -23.390 -19.942 1.00 72.00 H new ATOM 0 HG22 VAL A 29 -10.012 -22.981 -21.501 1.00 72.00 H new ATOM 0 HG23 VAL A 29 -8.761 -24.245 -21.422 1.00 72.00 H new ATOM 471 N TYR A 30 -9.475 -22.092 -24.369 1.00 61.00 N ATOM 472 CA TYR A 30 -10.658 -21.673 -25.123 1.00 63.00 C ATOM 473 C TYR A 30 -11.786 -21.489 -24.125 1.00 52.00 C ATOM 474 O TYR A 30 -12.532 -20.515 -24.151 1.00 2.00 O ATOM 475 CB TYR A 30 -11.035 -22.824 -26.099 1.00 25.00 C ATOM 476 CG TYR A 30 -12.195 -22.562 -27.058 1.00 40.00 C ATOM 477 CD1 TYR A 30 -13.487 -22.346 -26.598 1.00 15.00 C ATOM 478 CD2 TYR A 30 -11.990 -22.559 -28.425 1.00 14.00 C ATOM 479 CE1 TYR A 30 -14.526 -22.122 -27.460 1.00 24.00 C ATOM 480 CE2 TYR A 30 -13.032 -22.335 -29.302 1.00 24.00 C ATOM 481 CZ TYR A 30 -14.299 -22.117 -28.808 1.00 72.00 C ATOM 482 OH TYR A 30 -15.346 -21.886 -29.668 1.00 10.00 O ATOM 0 H TYR A 30 -9.173 -23.041 -24.589 1.00 61.00 H new ATOM 0 HA TYR A 30 -10.477 -20.752 -25.678 1.00 63.00 H new ATOM 0 HB2 TYR A 30 -10.153 -23.070 -26.691 1.00 25.00 H new ATOM 0 HB3 TYR A 30 -11.277 -23.706 -25.506 1.00 25.00 H new ATOM 0 HD1 TYR A 30 -13.677 -22.355 -25.535 1.00 15.00 H new ATOM 0 HD2 TYR A 30 -10.998 -22.735 -28.813 1.00 14.00 H new ATOM 0 HE1 TYR A 30 -15.521 -21.950 -27.077 1.00 24.00 H new ATOM 0 HE2 TYR A 30 -12.855 -22.331 -30.367 1.00 24.00 H new ATOM 0 HH TYR A 30 -15.022 -21.914 -30.593 1.00 10.00 H new ATOM 492 N ASP A 31 -11.873 -22.455 -23.250 1.00 61.00 N ATOM 493 CA ASP A 31 -12.910 -22.546 -22.256 1.00 32.00 C ATOM 494 C ASP A 31 -12.500 -23.584 -21.239 1.00 11.00 C ATOM 495 O ASP A 31 -12.207 -23.268 -20.099 1.00 22.00 O ATOM 496 CB ASP A 31 -14.244 -22.921 -22.923 1.00 3.00 C ATOM 497 CG ASP A 31 -15.349 -23.222 -21.944 1.00 72.00 C ATOM 498 OD1 ASP A 31 -15.907 -22.277 -21.359 1.00 23.00 O ATOM 499 OD2 ASP A 31 -15.686 -24.412 -21.760 1.00 22.00 O ATOM 0 H ASP A 31 -11.204 -23.224 -23.208 1.00 61.00 H new ATOM 0 HA ASP A 31 -13.048 -21.586 -21.758 1.00 32.00 H new ATOM 0 HB2 ASP A 31 -14.558 -22.103 -23.571 1.00 3.00 H new ATOM 0 HB3 ASP A 31 -14.089 -23.791 -23.561 1.00 3.00 H new ATOM 504 N ASN A 32 -12.421 -24.812 -21.680 1.00 52.00 N ATOM 505 CA ASN A 32 -11.969 -25.926 -20.854 1.00 1.00 C ATOM 506 C ASN A 32 -11.061 -26.842 -21.667 1.00 2.00 C ATOM 507 O ASN A 32 -10.798 -27.981 -21.294 1.00 24.00 O ATOM 508 CB ASN A 32 -13.161 -26.714 -20.255 1.00 42.00 C ATOM 509 CG ASN A 32 -13.804 -26.033 -19.044 1.00 62.00 C ATOM 510 OD1 ASN A 32 -13.405 -26.285 -17.894 1.00 54.00 O ATOM 511 ND2 ASN A 32 -14.789 -25.178 -19.271 1.00 23.00 N ATOM 0 H ASN A 32 -12.669 -25.081 -22.632 1.00 52.00 H new ATOM 0 HA ASN A 32 -11.401 -25.520 -20.017 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.918 -26.852 -21.027 1.00 42.00 H new ATOM 0 HB3 ASN A 32 -12.818 -27.707 -19.963 1.00 42.00 H new ATOM 0 HD21 ASN A 32 -15.243 -24.705 -18.490 1.00 23.00 H new ATOM 0 HD22 ASN A 32 -15.093 -24.993 -20.227 1.00 23.00 H new ATOM 518 N GLN A 33 -10.513 -26.310 -22.743 1.00 72.00 N ATOM 519 CA GLN A 33 -9.651 -27.046 -23.606 1.00 3.00 C ATOM 520 C GLN A 33 -8.561 -26.113 -23.977 1.00 51.00 C ATOM 521 O GLN A 33 -8.774 -24.884 -24.006 1.00 54.00 O ATOM 522 CB GLN A 33 -10.376 -27.591 -24.847 1.00 44.00 C ATOM 523 CG GLN A 33 -10.873 -26.532 -25.797 1.00 53.00 C ATOM 524 CD GLN A 33 -11.547 -27.112 -27.029 1.00 14.00 C ATOM 525 OE1 GLN A 33 -11.191 -28.192 -27.491 1.00 33.00 O ATOM 526 NE2 GLN A 33 -12.538 -26.433 -27.545 1.00 40.00 N ATOM 0 H GLN A 33 -10.664 -25.344 -23.033 1.00 72.00 H new ATOM 0 HA GLN A 33 -9.269 -27.933 -23.100 1.00 3.00 H new ATOM 0 HB2 GLN A 33 -9.699 -28.255 -25.385 1.00 44.00 H new ATOM 0 HB3 GLN A 33 -11.223 -28.195 -24.521 1.00 44.00 H new ATOM 0 HG2 GLN A 33 -11.577 -25.884 -25.275 1.00 53.00 H new ATOM 0 HG3 GLN A 33 -10.035 -25.907 -26.107 1.00 53.00 H new ATOM 0 HE21 GLN A 33 -12.810 -25.538 -27.138 1.00 40.00 H new ATOM 0 HE22 GLN A 33 -13.039 -26.798 -28.355 1.00 40.00 H new ATOM 535 N LEU A 34 -7.436 -26.641 -24.246 1.00 21.00 N ATOM 536 CA LEU A 34 -6.276 -25.840 -24.430 1.00 44.00 C ATOM 537 C LEU A 34 -5.807 -25.915 -25.867 1.00 32.00 C ATOM 538 O LEU A 34 -5.686 -27.003 -26.428 1.00 31.00 O ATOM 539 CB LEU A 34 -5.127 -26.295 -23.497 1.00 40.00 C ATOM 540 CG LEU A 34 -5.278 -26.130 -21.957 1.00 13.00 C ATOM 541 CD1 LEU A 34 -5.551 -24.702 -21.563 1.00 3.00 C ATOM 542 CD2 LEU A 34 -6.308 -27.083 -21.355 1.00 71.00 C ATOM 0 H LEU A 34 -7.282 -27.644 -24.347 1.00 21.00 H new ATOM 0 HA LEU A 34 -6.543 -24.812 -24.184 1.00 44.00 H new ATOM 0 HB2 LEU A 34 -4.944 -27.351 -23.696 1.00 40.00 H new ATOM 0 HB3 LEU A 34 -4.229 -25.754 -23.797 1.00 40.00 H new ATOM 0 HG LEU A 34 -4.313 -26.407 -21.532 1.00 13.00 H new ATOM 0 HD11 LEU A 34 -5.649 -24.636 -20.479 1.00 3.00 H new ATOM 0 HD12 LEU A 34 -4.726 -24.070 -21.892 1.00 3.00 H new ATOM 0 HD13 LEU A 34 -6.476 -24.366 -22.032 1.00 3.00 H new ATOM 0 HD21 LEU A 34 -6.369 -26.921 -20.279 1.00 71.00 H new ATOM 0 HD22 LEU A 34 -7.283 -26.897 -21.806 1.00 71.00 H new ATOM 0 HD23 LEU A 34 -6.009 -28.113 -21.550 1.00 71.00 H new ATOM 554 N LEU A 35 -5.573 -24.784 -26.452 1.00 54.00 N ATOM 555 CA LEU A 35 -5.041 -24.698 -27.789 1.00 61.00 C ATOM 556 C LEU A 35 -3.710 -24.007 -27.737 1.00 32.00 C ATOM 557 O LEU A 35 -3.332 -23.459 -26.697 1.00 60.00 O ATOM 558 CB LEU A 35 -5.962 -23.929 -28.740 1.00 5.00 C ATOM 559 CG LEU A 35 -7.281 -24.582 -29.164 1.00 22.00 C ATOM 560 CD1 LEU A 35 -7.066 -25.959 -29.775 1.00 24.00 C ATOM 561 CD2 LEU A 35 -8.315 -24.616 -28.050 1.00 12.00 C ATOM 0 H LEU A 35 -5.746 -23.878 -26.016 1.00 54.00 H new ATOM 0 HA LEU A 35 -4.947 -25.714 -28.173 1.00 61.00 H new ATOM 0 HB2 LEU A 35 -6.200 -22.974 -28.272 1.00 5.00 H new ATOM 0 HB3 LEU A 35 -5.395 -23.708 -29.644 1.00 5.00 H new ATOM 0 HG LEU A 35 -7.694 -23.941 -29.943 1.00 22.00 H new ATOM 0 HD11 LEU A 35 -8.028 -26.384 -30.061 1.00 24.00 H new ATOM 0 HD12 LEU A 35 -6.432 -25.871 -30.657 1.00 24.00 H new ATOM 0 HD13 LEU A 35 -6.584 -26.610 -29.045 1.00 24.00 H new ATOM 0 HD21 LEU A 35 -9.226 -25.091 -28.414 1.00 12.00 H new ATOM 0 HD22 LEU A 35 -7.922 -25.183 -27.206 1.00 12.00 H new ATOM 0 HD23 LEU A 35 -8.539 -23.598 -27.730 1.00 12.00 H new ATOM 573 N HIS A 36 -3.026 -23.980 -28.840 1.00 3.00 N ATOM 574 CA HIS A 36 -1.714 -23.367 -28.883 1.00 52.00 C ATOM 575 C HIS A 36 -1.573 -22.477 -30.095 1.00 13.00 C ATOM 576 O HIS A 36 -2.019 -22.821 -31.194 1.00 51.00 O ATOM 577 CB HIS A 36 -0.568 -24.401 -28.788 1.00 11.00 C ATOM 578 CG HIS A 36 -0.505 -25.396 -29.916 1.00 12.00 C ATOM 579 ND1 HIS A 36 0.336 -25.211 -30.990 1.00 75.00 N ATOM 580 CD2 HIS A 36 -1.193 -26.543 -30.088 1.00 0.00 C ATOM 581 CE1 HIS A 36 0.135 -26.247 -31.786 1.00 43.00 C ATOM 582 NE2 HIS A 36 -0.779 -27.072 -31.281 1.00 54.00 N ATOM 0 H HIS A 36 -3.345 -24.372 -29.726 1.00 3.00 H new ATOM 0 HA HIS A 36 -1.625 -22.740 -27.996 1.00 52.00 H new ATOM 0 HB2 HIS A 36 0.380 -23.865 -28.745 1.00 11.00 H new ATOM 0 HB3 HIS A 36 -0.669 -24.946 -27.850 1.00 11.00 H new ATOM 0 HD2 HIS A 36 -1.927 -26.962 -29.416 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.646 -26.404 -32.724 1.00 43.00 H new ATOM 0 HE2 HIS A 36 -1.110 -27.939 -31.705 1.00 54.00 H new ATOM 590 N LEU A 37 -1.042 -21.311 -29.866 1.00 64.00 N ATOM 591 CA LEU A 37 -0.853 -20.303 -30.892 1.00 50.00 C ATOM 592 C LEU A 37 0.506 -19.710 -30.699 1.00 2.00 C ATOM 593 O LEU A 37 1.128 -19.923 -29.659 1.00 14.00 O ATOM 594 CB LEU A 37 -1.916 -19.168 -30.787 1.00 43.00 C ATOM 595 CG LEU A 37 -3.399 -19.603 -30.826 1.00 4.00 C ATOM 596 CD1 LEU A 37 -3.870 -20.217 -29.511 1.00 52.00 C ATOM 597 CD2 LEU A 37 -4.290 -18.475 -31.229 1.00 11.00 C ATOM 0 H LEU A 37 -0.718 -21.019 -28.944 1.00 64.00 H new ATOM 0 HA LEU A 37 -0.958 -20.769 -31.872 1.00 50.00 H new ATOM 0 HB2 LEU A 37 -1.744 -18.625 -29.857 1.00 43.00 H new ATOM 0 HB3 LEU A 37 -1.746 -18.465 -31.602 1.00 43.00 H new ATOM 0 HG LEU A 37 -3.465 -20.383 -31.585 1.00 4.00 H new ATOM 0 HD11 LEU A 37 -4.918 -20.503 -29.598 1.00 52.00 H new ATOM 0 HD12 LEU A 37 -3.270 -21.099 -29.286 1.00 52.00 H new ATOM 0 HD13 LEU A 37 -3.758 -19.488 -28.708 1.00 52.00 H new ATOM 0 HD21 LEU A 37 -5.325 -18.817 -31.246 1.00 11.00 H new ATOM 0 HD22 LEU A 37 -4.189 -17.658 -30.514 1.00 11.00 H new ATOM 0 HD23 LEU A 37 -4.007 -18.125 -32.222 1.00 11.00 H new ATOM 609 N LYS A 38 0.973 -18.979 -31.653 1.00 50.00 N ATOM 610 CA LYS A 38 2.242 -18.342 -31.520 1.00 32.00 C ATOM 611 C LYS A 38 2.211 -17.017 -32.186 1.00 35.00 C ATOM 612 O LYS A 38 1.372 -16.794 -33.068 1.00 52.00 O ATOM 613 CB LYS A 38 3.320 -19.177 -32.145 1.00 62.00 C ATOM 614 CG LYS A 38 3.223 -19.324 -33.657 1.00 24.00 C ATOM 615 CD LYS A 38 4.426 -20.051 -34.199 1.00 31.00 C ATOM 616 CE LYS A 38 4.497 -21.471 -33.664 1.00 42.00 C ATOM 617 NZ LYS A 38 5.626 -22.223 -34.231 1.00 25.00 N ATOM 0 H LYS A 38 0.495 -18.806 -32.537 1.00 50.00 H new ATOM 0 HA LYS A 38 2.455 -18.220 -30.458 1.00 32.00 H new ATOM 0 HB2 LYS A 38 4.287 -18.739 -31.899 1.00 62.00 H new ATOM 0 HB3 LYS A 38 3.296 -20.170 -31.696 1.00 62.00 H new ATOM 0 HG2 LYS A 38 2.315 -19.868 -33.917 1.00 24.00 H new ATOM 0 HG3 LYS A 38 3.148 -18.340 -34.119 1.00 24.00 H new ATOM 0 HD2 LYS A 38 4.382 -20.072 -35.288 1.00 31.00 H new ATOM 0 HD3 LYS A 38 5.333 -19.511 -33.927 1.00 31.00 H new ATOM 0 HE2 LYS A 38 4.589 -21.444 -32.578 1.00 42.00 H new ATOM 0 HE3 LYS A 38 3.566 -21.990 -33.892 1.00 42.00 H new ATOM 0 HZ1 LYS A 38 5.635 -23.186 -33.837 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 5.526 -22.273 -35.265 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 6.517 -21.743 -33.992 1.00 25.00 H new ATOM 631 N GLN A 39 3.109 -16.154 -31.796 1.00 65.00 N ATOM 632 CA GLN A 39 3.195 -14.849 -32.397 1.00 21.00 C ATOM 633 C GLN A 39 3.930 -14.964 -33.691 1.00 12.00 C ATOM 634 O GLN A 39 5.160 -15.056 -33.735 1.00 71.00 O ATOM 635 CB GLN A 39 3.861 -13.837 -31.493 1.00 53.00 C ATOM 636 CG GLN A 39 3.932 -12.429 -32.086 1.00 55.00 C ATOM 637 CD GLN A 39 4.588 -11.429 -31.161 1.00 52.00 C ATOM 638 OE1 GLN A 39 4.512 -11.544 -29.945 1.00 44.00 O ATOM 639 NE2 GLN A 39 5.238 -10.443 -31.727 1.00 4.00 N ATOM 0 H GLN A 39 3.795 -16.331 -31.062 1.00 65.00 H new ATOM 0 HA GLN A 39 2.182 -14.485 -32.569 1.00 21.00 H new ATOM 0 HB2 GLN A 39 3.319 -13.796 -30.548 1.00 53.00 H new ATOM 0 HB3 GLN A 39 4.872 -14.177 -31.266 1.00 53.00 H new ATOM 0 HG2 GLN A 39 4.485 -12.464 -33.025 1.00 55.00 H new ATOM 0 HG3 GLN A 39 2.924 -12.089 -32.322 1.00 55.00 H new ATOM 0 HE21 GLN A 39 5.281 -10.378 -32.744 1.00 4.00 H new ATOM 0 HE22 GLN A 39 5.701 -9.740 -31.151 1.00 4.00 H new ATOM 648 N GLY A 40 3.175 -15.020 -34.711 1.00 13.00 N ATOM 649 CA GLY A 40 3.702 -15.148 -36.024 1.00 45.00 C ATOM 650 C GLY A 40 3.666 -13.835 -36.726 1.00 60.00 C ATOM 651 O GLY A 40 4.185 -12.825 -36.211 1.00 72.00 O ATOM 0 H GLY A 40 2.157 -14.978 -34.668 1.00 13.00 H new ATOM 0 HA2 GLY A 40 4.727 -15.515 -35.977 1.00 45.00 H new ATOM 0 HA3 GLY A 40 3.125 -15.884 -36.585 1.00 45.00 H new ATOM 655 N ILE A 41 3.016 -13.800 -37.856 1.00 31.00 N ATOM 656 CA ILE A 41 2.934 -12.588 -38.617 1.00 2.00 C ATOM 657 C ILE A 41 1.962 -11.658 -37.935 1.00 1.00 C ATOM 658 O ILE A 41 0.780 -11.959 -37.809 1.00 34.00 O ATOM 659 CB ILE A 41 2.503 -12.790 -40.109 1.00 51.00 C ATOM 660 CG1 ILE A 41 3.487 -13.698 -40.891 1.00 1.00 C ATOM 661 CG2 ILE A 41 2.380 -11.435 -40.806 1.00 21.00 C ATOM 662 CD1 ILE A 41 3.407 -15.184 -40.561 1.00 30.00 C ATOM 0 H ILE A 41 2.535 -14.599 -38.269 1.00 31.00 H new ATOM 0 HA ILE A 41 3.940 -12.170 -38.652 1.00 2.00 H new ATOM 0 HB ILE A 41 1.535 -13.291 -40.100 1.00 51.00 H new ATOM 0 HG12 ILE A 41 3.304 -13.570 -41.958 1.00 1.00 H new ATOM 0 HG13 ILE A 41 4.503 -13.354 -40.698 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.080 -11.585 -41.843 1.00 21.00 H new ATOM 0 HG22 ILE A 41 1.631 -10.830 -40.295 1.00 21.00 H new ATOM 0 HG23 ILE A 41 3.342 -10.922 -40.777 1.00 21.00 H new ATOM 0 HD11 ILE A 41 4.135 -15.730 -41.161 1.00 30.00 H new ATOM 0 HD12 ILE A 41 3.623 -15.334 -39.503 1.00 30.00 H new ATOM 0 HD13 ILE A 41 2.405 -15.552 -40.782 1.00 30.00 H new ATOM 674 N SER A 42 2.463 -10.569 -37.469 1.00 13.00 N ATOM 675 CA SER A 42 1.681 -9.604 -36.781 1.00 43.00 C ATOM 676 C SER A 42 1.856 -8.259 -37.455 1.00 13.00 C ATOM 677 O SER A 42 2.969 -7.756 -37.540 1.00 40.00 O ATOM 678 CB SER A 42 2.181 -9.535 -35.357 1.00 71.00 C ATOM 679 OG SER A 42 2.170 -10.828 -34.758 1.00 1.00 O ATOM 0 H SER A 42 3.448 -10.319 -37.557 1.00 13.00 H new ATOM 0 HA SER A 42 0.625 -9.873 -36.795 1.00 43.00 H new ATOM 0 HB2 SER A 42 3.193 -9.129 -35.340 1.00 71.00 H new ATOM 0 HB3 SER A 42 1.555 -8.855 -34.779 1.00 71.00 H new ATOM 0 HG SER A 42 2.906 -11.363 -35.122 1.00 1.00 H new ATOM 685 N ALA A 43 0.789 -7.702 -37.970 1.00 75.00 N ATOM 686 CA ALA A 43 0.877 -6.425 -38.593 1.00 14.00 C ATOM 687 C ALA A 43 0.910 -5.341 -37.527 1.00 73.00 C ATOM 688 O ALA A 43 1.735 -4.428 -37.550 1.00 51.00 O ATOM 689 CB ALA A 43 -0.251 -6.208 -39.586 1.00 12.00 C ATOM 0 H ALA A 43 -0.142 -8.118 -37.966 1.00 75.00 H new ATOM 0 HA ALA A 43 1.803 -6.376 -39.166 1.00 14.00 H new ATOM 0 HB1 ALA A 43 -0.150 -5.223 -40.041 1.00 12.00 H new ATOM 0 HB2 ALA A 43 -0.205 -6.973 -40.362 1.00 12.00 H new ATOM 0 HB3 ALA A 43 -1.208 -6.273 -39.069 1.00 12.00 H new ATOM 695 N SER A 44 0.050 -5.493 -36.571 1.00 12.00 N ATOM 696 CA SER A 44 -0.058 -4.604 -35.474 1.00 31.00 C ATOM 697 C SER A 44 -0.266 -5.469 -34.241 1.00 25.00 C ATOM 698 O SER A 44 -0.733 -6.609 -34.369 1.00 62.00 O ATOM 699 CB SER A 44 -1.254 -3.667 -35.705 1.00 3.00 C ATOM 700 OG SER A 44 -1.315 -2.626 -34.739 1.00 61.00 O ATOM 0 H SER A 44 -0.615 -6.266 -36.538 1.00 12.00 H new ATOM 0 HA SER A 44 0.830 -3.983 -35.353 1.00 31.00 H new ATOM 0 HB2 SER A 44 -1.185 -3.232 -36.702 1.00 3.00 H new ATOM 0 HB3 SER A 44 -2.178 -4.245 -35.673 1.00 3.00 H new ATOM 0 HG SER A 44 -2.088 -2.053 -34.924 1.00 61.00 H new ATOM 706 N GLY A 45 0.111 -4.974 -33.078 1.00 54.00 N ATOM 707 CA GLY A 45 -0.064 -5.719 -31.846 1.00 2.00 C ATOM 708 C GLY A 45 0.877 -6.891 -31.770 1.00 41.00 C ATOM 709 O GLY A 45 2.099 -6.727 -31.882 1.00 14.00 O ATOM 0 H GLY A 45 0.541 -4.057 -32.960 1.00 54.00 H new ATOM 0 HA2 GLY A 45 0.105 -5.060 -30.994 1.00 2.00 H new ATOM 0 HA3 GLY A 45 -1.093 -6.072 -31.777 1.00 2.00 H new ATOM 713 N ALA A 46 0.312 -8.056 -31.614 1.00 21.00 N ATOM 714 CA ALA A 46 1.017 -9.279 -31.534 1.00 32.00 C ATOM 715 C ALA A 46 0.005 -10.320 -31.794 1.00 23.00 C ATOM 716 O ALA A 46 -0.964 -10.448 -31.034 1.00 33.00 O ATOM 717 CB ALA A 46 1.637 -9.468 -30.166 1.00 3.00 C ATOM 0 H ALA A 46 -0.699 -8.170 -31.537 1.00 21.00 H new ATOM 0 HA ALA A 46 1.841 -9.315 -32.247 1.00 32.00 H new ATOM 0 HB1 ALA A 46 2.172 -10.417 -30.137 1.00 3.00 H new ATOM 0 HB2 ALA A 46 2.333 -8.653 -29.966 1.00 3.00 H new ATOM 0 HB3 ALA A 46 0.853 -9.470 -29.408 1.00 3.00 H new ATOM 723 N ARG A 47 0.134 -10.989 -32.882 1.00 64.00 N ATOM 724 CA ARG A 47 -0.826 -11.945 -33.228 1.00 64.00 C ATOM 725 C ARG A 47 -0.345 -13.339 -32.959 1.00 34.00 C ATOM 726 O ARG A 47 0.536 -13.854 -33.651 1.00 65.00 O ATOM 727 CB ARG A 47 -1.290 -11.810 -34.670 1.00 5.00 C ATOM 728 CG ARG A 47 -2.019 -10.536 -34.945 1.00 61.00 C ATOM 729 CD ARG A 47 -2.664 -10.557 -36.299 1.00 42.00 C ATOM 730 NE ARG A 47 -1.726 -10.831 -37.397 1.00 15.00 N ATOM 731 CZ ARG A 47 -1.929 -10.497 -38.677 1.00 23.00 C ATOM 732 NH1 ARG A 47 -2.988 -9.798 -39.027 1.00 24.00 N ATOM 733 NH2 ARG A 47 -1.066 -10.875 -39.593 1.00 15.00 N ATOM 0 H ARG A 47 0.903 -10.884 -33.544 1.00 64.00 H new ATOM 0 HA ARG A 47 -1.687 -11.752 -32.589 1.00 64.00 H new ATOM 0 HB2 ARG A 47 -0.424 -11.873 -35.329 1.00 5.00 H new ATOM 0 HB3 ARG A 47 -1.939 -12.651 -34.915 1.00 5.00 H new ATOM 0 HG2 ARG A 47 -2.779 -10.378 -34.180 1.00 61.00 H new ATOM 0 HG3 ARG A 47 -1.325 -9.697 -34.883 1.00 61.00 H new ATOM 0 HD2 ARG A 47 -3.449 -11.314 -36.306 1.00 42.00 H new ATOM 0 HD3 ARG A 47 -3.146 -9.596 -36.477 1.00 42.00 H new ATOM 0 HE ARG A 47 -0.856 -11.311 -37.166 1.00 15.00 H new ATOM 0 HH11 ARG A 47 -3.663 -9.506 -38.320 1.00 24.00 H new ATOM 0 HH12 ARG A 47 -3.134 -9.548 -40.005 1.00 24.00 H new ATOM 0 HH21 ARG A 47 -0.246 -11.420 -39.327 1.00 15.00 H new ATOM 0 HH22 ARG A 47 -1.216 -10.623 -40.570 1.00 15.00 H new ATOM 747 N TYR A 48 -0.908 -13.930 -31.955 1.00 23.00 N ATOM 748 CA TYR A 48 -0.681 -15.276 -31.631 1.00 2.00 C ATOM 749 C TYR A 48 -1.764 -15.977 -32.351 1.00 32.00 C ATOM 750 O TYR A 48 -2.929 -15.798 -32.053 1.00 2.00 O ATOM 751 CB TYR A 48 -0.776 -15.489 -30.124 1.00 35.00 C ATOM 752 CG TYR A 48 0.189 -14.631 -29.313 1.00 15.00 C ATOM 753 CD1 TYR A 48 -0.158 -13.345 -28.919 1.00 22.00 C ATOM 754 CD2 TYR A 48 1.433 -15.113 -28.929 1.00 2.00 C ATOM 755 CE1 TYR A 48 0.696 -12.572 -28.170 1.00 45.00 C ATOM 756 CE2 TYR A 48 2.300 -14.336 -28.177 1.00 34.00 C ATOM 757 CZ TYR A 48 1.919 -13.063 -27.802 1.00 3.00 C ATOM 758 OH TYR A 48 2.754 -12.283 -27.037 1.00 5.00 O ATOM 0 H TYR A 48 -1.559 -13.461 -31.325 1.00 23.00 H new ATOM 0 HA TYR A 48 0.310 -15.633 -31.911 1.00 2.00 H new ATOM 0 HB2 TYR A 48 -1.795 -15.275 -29.801 1.00 35.00 H new ATOM 0 HB3 TYR A 48 -0.585 -16.539 -29.903 1.00 35.00 H new ATOM 0 HD1 TYR A 48 -1.119 -12.945 -29.207 1.00 22.00 H new ATOM 0 HD2 TYR A 48 1.730 -16.109 -29.221 1.00 2.00 H new ATOM 0 HE1 TYR A 48 0.402 -11.577 -27.872 1.00 45.00 H new ATOM 0 HE2 TYR A 48 3.266 -14.723 -27.887 1.00 34.00 H new ATOM 0 HH TYR A 48 3.584 -12.772 -26.857 1.00 5.00 H new ATOM 768 N THR A 49 -1.423 -16.666 -33.361 1.00 42.00 N ATOM 769 CA THR A 49 -2.417 -17.199 -34.236 1.00 75.00 C ATOM 770 C THR A 49 -1.935 -18.492 -34.831 1.00 51.00 C ATOM 771 O THR A 49 -0.753 -18.621 -35.163 1.00 2.00 O ATOM 772 CB THR A 49 -2.743 -16.157 -35.347 1.00 64.00 C ATOM 773 OG1 THR A 49 -3.230 -14.939 -34.752 1.00 15.00 O ATOM 774 CG2 THR A 49 -3.772 -16.671 -36.315 1.00 51.00 C ATOM 0 H THR A 49 -0.460 -16.884 -33.617 1.00 42.00 H new ATOM 0 HA THR A 49 -3.329 -17.404 -33.676 1.00 75.00 H new ATOM 0 HB THR A 49 -1.820 -15.969 -35.895 1.00 64.00 H new ATOM 0 HG1 THR A 49 -3.249 -14.230 -35.428 1.00 15.00 H new ATOM 0 HG21 THR A 49 -3.969 -15.913 -37.073 1.00 51.00 H new ATOM 0 HG22 THR A 49 -3.400 -17.576 -36.795 1.00 51.00 H new ATOM 0 HG23 THR A 49 -4.694 -16.898 -35.780 1.00 51.00 H new ATOM 782 N ASP A 50 -2.815 -19.470 -34.899 1.00 70.00 N ATOM 783 CA ASP A 50 -2.441 -20.735 -35.475 1.00 72.00 C ATOM 784 C ASP A 50 -3.427 -21.194 -36.560 1.00 72.00 C ATOM 785 O ASP A 50 -3.027 -21.772 -37.576 1.00 64.00 O ATOM 786 CB ASP A 50 -2.242 -21.803 -34.404 1.00 65.00 C ATOM 787 CG ASP A 50 -1.827 -23.136 -34.975 1.00 65.00 C ATOM 788 OD1 ASP A 50 -0.711 -23.247 -35.500 1.00 21.00 O ATOM 789 OD2 ASP A 50 -2.616 -24.113 -34.887 1.00 43.00 O ATOM 0 H ASP A 50 -3.778 -19.411 -34.567 1.00 70.00 H new ATOM 0 HA ASP A 50 -1.480 -20.586 -35.968 1.00 72.00 H new ATOM 0 HB2 ASP A 50 -1.485 -21.465 -33.697 1.00 65.00 H new ATOM 0 HB3 ASP A 50 -3.169 -21.926 -33.844 1.00 65.00 H new ATOM 794 N GLY A 51 -4.705 -20.928 -36.363 1.00 14.00 N ATOM 795 CA GLY A 51 -5.689 -21.315 -37.366 1.00 31.00 C ATOM 796 C GLY A 51 -7.092 -21.444 -36.805 1.00 4.00 C ATOM 797 O GLY A 51 -8.072 -21.329 -37.535 1.00 22.00 O ATOM 0 H GLY A 51 -5.083 -20.458 -35.541 1.00 14.00 H new ATOM 0 HA2 GLY A 51 -5.691 -20.577 -38.168 1.00 31.00 H new ATOM 0 HA3 GLY A 51 -5.393 -22.266 -37.809 1.00 31.00 H new ATOM 801 N ILE A 52 -7.184 -21.659 -35.516 1.00 40.00 N ATOM 802 CA ILE A 52 -8.464 -21.832 -34.839 1.00 42.00 C ATOM 803 C ILE A 52 -9.124 -20.458 -34.639 1.00 13.00 C ATOM 804 O ILE A 52 -10.337 -20.291 -34.812 1.00 54.00 O ATOM 805 CB ILE A 52 -8.241 -22.523 -33.455 1.00 10.00 C ATOM 806 CG1 ILE A 52 -7.469 -23.850 -33.615 1.00 73.00 C ATOM 807 CG2 ILE A 52 -9.557 -22.763 -32.723 1.00 55.00 C ATOM 808 CD1 ILE A 52 -8.159 -24.881 -34.493 1.00 14.00 C ATOM 0 H ILE A 52 -6.376 -21.721 -34.897 1.00 40.00 H new ATOM 0 HA ILE A 52 -9.115 -22.460 -35.447 1.00 42.00 H new ATOM 0 HB ILE A 52 -7.642 -21.841 -32.851 1.00 10.00 H new ATOM 0 HG12 ILE A 52 -6.486 -23.635 -34.034 1.00 73.00 H new ATOM 0 HG13 ILE A 52 -7.307 -24.283 -32.628 1.00 73.00 H new ATOM 0 HG21 ILE A 52 -9.358 -23.245 -31.766 1.00 55.00 H new ATOM 0 HG22 ILE A 52 -10.058 -21.810 -32.552 1.00 55.00 H new ATOM 0 HG23 ILE A 52 -10.197 -23.406 -33.327 1.00 55.00 H new ATOM 0 HD11 ILE A 52 -7.546 -25.780 -34.549 1.00 14.00 H new ATOM 0 HD12 ILE A 52 -9.131 -25.130 -34.067 1.00 14.00 H new ATOM 0 HD13 ILE A 52 -8.296 -24.473 -35.494 1.00 14.00 H new ATOM 820 N TYR A 53 -8.297 -19.496 -34.286 1.00 12.00 N ATOM 821 CA TYR A 53 -8.668 -18.115 -34.064 1.00 22.00 C ATOM 822 C TYR A 53 -7.446 -17.235 -34.050 1.00 1.00 C ATOM 823 O TYR A 53 -6.315 -17.720 -33.899 1.00 10.00 O ATOM 824 CB TYR A 53 -9.517 -17.897 -32.803 1.00 34.00 C ATOM 825 CG TYR A 53 -9.190 -18.774 -31.613 1.00 41.00 C ATOM 826 CD1 TYR A 53 -7.930 -18.802 -31.047 1.00 61.00 C ATOM 827 CD2 TYR A 53 -10.170 -19.565 -31.053 1.00 42.00 C ATOM 828 CE1 TYR A 53 -7.658 -19.604 -29.962 1.00 12.00 C ATOM 829 CE2 TYR A 53 -9.909 -20.362 -29.971 1.00 51.00 C ATOM 830 CZ TYR A 53 -8.654 -20.381 -29.426 1.00 13.00 C ATOM 831 OH TYR A 53 -8.394 -21.186 -28.346 1.00 2.00 O ATOM 0 H TYR A 53 -7.302 -19.664 -34.139 1.00 12.00 H new ATOM 0 HA TYR A 53 -9.305 -17.833 -34.902 1.00 22.00 H new ATOM 0 HB2 TYR A 53 -9.415 -16.855 -32.498 1.00 34.00 H new ATOM 0 HB3 TYR A 53 -10.564 -18.052 -33.065 1.00 34.00 H new ATOM 0 HD1 TYR A 53 -7.147 -18.185 -31.462 1.00 61.00 H new ATOM 0 HD2 TYR A 53 -11.164 -19.556 -31.476 1.00 42.00 H new ATOM 0 HE1 TYR A 53 -6.666 -19.622 -29.535 1.00 12.00 H new ATOM 0 HE2 TYR A 53 -10.692 -20.974 -29.548 1.00 51.00 H new ATOM 0 HH TYR A 53 -7.870 -20.687 -27.685 1.00 2.00 H new ATOM 841 N VAL A 54 -7.669 -15.978 -34.228 1.00 23.00 N ATOM 842 CA VAL A 54 -6.641 -14.975 -34.290 1.00 74.00 C ATOM 843 C VAL A 54 -6.569 -14.262 -32.948 1.00 13.00 C ATOM 844 O VAL A 54 -7.452 -13.475 -32.627 1.00 42.00 O ATOM 845 CB VAL A 54 -7.043 -13.948 -35.366 1.00 2.00 C ATOM 846 CG1 VAL A 54 -6.065 -12.775 -35.424 1.00 22.00 C ATOM 847 CG2 VAL A 54 -7.149 -14.606 -36.736 1.00 74.00 C ATOM 0 H VAL A 54 -8.609 -15.597 -34.340 1.00 23.00 H new ATOM 0 HA VAL A 54 -5.678 -15.429 -34.525 1.00 74.00 H new ATOM 0 HB VAL A 54 -8.021 -13.558 -35.085 1.00 2.00 H new ATOM 0 HG11 VAL A 54 -6.384 -12.073 -36.195 1.00 22.00 H new ATOM 0 HG12 VAL A 54 -6.046 -12.269 -34.459 1.00 22.00 H new ATOM 0 HG13 VAL A 54 -5.067 -13.145 -35.660 1.00 22.00 H new ATOM 0 HG21 VAL A 54 -7.434 -13.859 -37.477 1.00 74.00 H new ATOM 0 HG22 VAL A 54 -6.186 -15.038 -37.008 1.00 74.00 H new ATOM 0 HG23 VAL A 54 -7.903 -15.392 -36.705 1.00 74.00 H new ATOM 857 N PHE A 55 -5.570 -14.561 -32.156 1.00 31.00 N ATOM 858 CA PHE A 55 -5.435 -13.925 -30.864 1.00 71.00 C ATOM 859 C PHE A 55 -4.546 -12.707 -30.995 1.00 2.00 C ATOM 860 O PHE A 55 -3.346 -12.816 -31.250 1.00 62.00 O ATOM 861 CB PHE A 55 -4.901 -14.908 -29.807 1.00 34.00 C ATOM 862 CG PHE A 55 -4.764 -14.332 -28.419 1.00 34.00 C ATOM 863 CD1 PHE A 55 -5.852 -14.261 -27.573 1.00 55.00 C ATOM 864 CD2 PHE A 55 -3.544 -13.867 -27.965 1.00 60.00 C ATOM 865 CE1 PHE A 55 -5.726 -13.739 -26.309 1.00 53.00 C ATOM 866 CE2 PHE A 55 -3.410 -13.342 -26.701 1.00 3.00 C ATOM 867 CZ PHE A 55 -4.503 -13.277 -25.871 1.00 61.00 C ATOM 0 H PHE A 55 -4.840 -15.237 -32.379 1.00 31.00 H new ATOM 0 HA PHE A 55 -6.419 -13.605 -30.521 1.00 71.00 H new ATOM 0 HB2 PHE A 55 -5.567 -15.770 -29.763 1.00 34.00 H new ATOM 0 HB3 PHE A 55 -3.927 -15.274 -30.131 1.00 34.00 H new ATOM 0 HD1 PHE A 55 -6.814 -14.620 -27.909 1.00 55.00 H new ATOM 0 HD2 PHE A 55 -2.682 -13.917 -28.614 1.00 60.00 H new ATOM 0 HE1 PHE A 55 -6.586 -13.690 -25.657 1.00 53.00 H new ATOM 0 HE2 PHE A 55 -2.450 -12.982 -26.362 1.00 3.00 H new ATOM 0 HZ PHE A 55 -4.404 -12.865 -24.878 1.00 61.00 H new ATOM 877 N TRP A 56 -5.134 -11.571 -30.837 1.00 64.00 N ATOM 878 CA TRP A 56 -4.471 -10.347 -30.984 1.00 30.00 C ATOM 879 C TRP A 56 -4.267 -9.755 -29.628 1.00 35.00 C ATOM 880 O TRP A 56 -5.215 -9.539 -28.855 1.00 31.00 O ATOM 881 CB TRP A 56 -5.280 -9.423 -31.868 1.00 11.00 C ATOM 882 CG TRP A 56 -4.598 -8.146 -32.208 1.00 11.00 C ATOM 883 CD1 TRP A 56 -3.426 -8.013 -32.863 1.00 34.00 C ATOM 884 CD2 TRP A 56 -5.063 -6.820 -31.947 1.00 34.00 C ATOM 885 NE1 TRP A 56 -3.119 -6.706 -33.022 1.00 75.00 N ATOM 886 CE2 TRP A 56 -4.106 -5.942 -32.475 1.00 45.00 C ATOM 887 CE3 TRP A 56 -6.190 -6.291 -31.321 1.00 20.00 C ATOM 888 CZ2 TRP A 56 -4.238 -4.563 -32.402 1.00 31.00 C ATOM 889 CZ3 TRP A 56 -6.322 -4.921 -31.248 1.00 72.00 C ATOM 890 CH2 TRP A 56 -5.353 -4.072 -31.785 1.00 70.00 C ATOM 0 H TRP A 56 -6.120 -11.479 -30.594 1.00 64.00 H new ATOM 0 HA TRP A 56 -3.502 -10.494 -31.461 1.00 30.00 H new ATOM 0 HB2 TRP A 56 -5.526 -9.947 -32.792 1.00 11.00 H new ATOM 0 HB3 TRP A 56 -6.222 -9.196 -31.370 1.00 11.00 H new ATOM 0 HD1 TRP A 56 -2.818 -8.835 -33.211 1.00 34.00 H new ATOM 0 HE1 TRP A 56 -2.281 -6.348 -33.479 1.00 75.00 H new ATOM 0 HE3 TRP A 56 -6.944 -6.941 -30.902 1.00 20.00 H new ATOM 0 HZ2 TRP A 56 -3.489 -3.904 -32.816 1.00 31.00 H new ATOM 0 HZ3 TRP A 56 -7.191 -4.497 -30.767 1.00 72.00 H new ATOM 0 HH2 TRP A 56 -5.488 -3.003 -31.711 1.00 70.00 H new ATOM 901 N SER A 57 -3.063 -9.541 -29.347 1.00 62.00 N ATOM 902 CA SER A 57 -2.632 -9.004 -28.103 1.00 15.00 C ATOM 903 C SER A 57 -2.199 -7.572 -28.329 1.00 41.00 C ATOM 904 O SER A 57 -1.249 -7.313 -29.077 1.00 33.00 O ATOM 905 CB SER A 57 -1.460 -9.844 -27.572 1.00 5.00 C ATOM 906 OG SER A 57 -1.041 -9.431 -26.271 1.00 74.00 O ATOM 0 H SER A 57 -2.298 -9.737 -29.993 1.00 62.00 H new ATOM 0 HA SER A 57 -3.438 -9.028 -27.370 1.00 15.00 H new ATOM 0 HB2 SER A 57 -1.753 -10.893 -27.540 1.00 5.00 H new ATOM 0 HB3 SER A 57 -0.620 -9.769 -28.262 1.00 5.00 H new ATOM 0 HG SER A 57 -0.296 -9.994 -25.973 1.00 74.00 H new ATOM 912 N LYS A 58 -2.902 -6.648 -27.743 1.00 42.00 N ATOM 913 CA LYS A 58 -2.553 -5.285 -27.861 1.00 24.00 C ATOM 914 C LYS A 58 -2.254 -4.722 -26.485 1.00 62.00 C ATOM 915 O LYS A 58 -3.070 -4.008 -25.902 1.00 12.00 O ATOM 916 CB LYS A 58 -3.658 -4.490 -28.563 1.00 31.00 C ATOM 917 CG LYS A 58 -3.265 -3.076 -28.931 1.00 11.00 C ATOM 918 CD LYS A 58 -2.099 -3.101 -29.886 1.00 41.00 C ATOM 919 CE LYS A 58 -1.684 -1.709 -30.314 1.00 5.00 C ATOM 920 NZ LYS A 58 -1.190 -0.889 -29.191 1.00 50.00 N ATOM 0 H LYS A 58 -3.729 -6.829 -27.174 1.00 42.00 H new ATOM 0 HA LYS A 58 -1.659 -5.198 -28.478 1.00 24.00 H new ATOM 0 HB2 LYS A 58 -3.953 -5.021 -29.468 1.00 31.00 H new ATOM 0 HB3 LYS A 58 -4.533 -4.455 -27.914 1.00 31.00 H new ATOM 0 HG2 LYS A 58 -4.110 -2.561 -29.388 1.00 11.00 H new ATOM 0 HG3 LYS A 58 -3.000 -2.517 -28.033 1.00 11.00 H new ATOM 0 HD2 LYS A 58 -1.254 -3.601 -29.413 1.00 41.00 H new ATOM 0 HD3 LYS A 58 -2.364 -3.687 -30.766 1.00 41.00 H new ATOM 0 HE2 LYS A 58 -0.905 -1.784 -31.073 1.00 5.00 H new ATOM 0 HE3 LYS A 58 -2.534 -1.208 -30.778 1.00 5.00 H new ATOM 0 HZ1 LYS A 58 -0.780 -0.007 -29.559 1.00 50.00 H new ATOM 0 HZ2 LYS A 58 -1.979 -0.663 -28.552 1.00 50.00 H new ATOM 0 HZ3 LYS A 58 -0.462 -1.418 -28.669 1.00 50.00 H new ATOM 934 N GLY A 59 -1.131 -5.147 -25.942 1.00 23.00 N ATOM 935 CA GLY A 59 -0.662 -4.675 -24.663 1.00 74.00 C ATOM 936 C GLY A 59 -1.511 -5.102 -23.489 1.00 40.00 C ATOM 937 O GLY A 59 -1.208 -6.090 -22.809 1.00 22.00 O ATOM 0 H GLY A 59 -0.518 -5.833 -26.381 1.00 23.00 H new ATOM 0 HA2 GLY A 59 0.356 -5.033 -24.509 1.00 74.00 H new ATOM 0 HA3 GLY A 59 -0.617 -3.586 -24.686 1.00 74.00 H new ATOM 941 N ASP A 60 -2.570 -4.375 -23.270 1.00 41.00 N ATOM 942 CA ASP A 60 -3.433 -4.577 -22.128 1.00 74.00 C ATOM 943 C ASP A 60 -4.742 -5.193 -22.538 1.00 14.00 C ATOM 944 O ASP A 60 -5.510 -5.633 -21.698 1.00 54.00 O ATOM 945 CB ASP A 60 -3.709 -3.251 -21.411 1.00 1.00 C ATOM 946 CG ASP A 60 -2.474 -2.607 -20.839 1.00 14.00 C ATOM 947 OD1 ASP A 60 -1.815 -1.826 -21.563 1.00 71.00 O ATOM 948 OD2 ASP A 60 -2.143 -2.856 -19.651 1.00 55.00 O ATOM 0 H ASP A 60 -2.866 -3.616 -23.883 1.00 41.00 H new ATOM 0 HA ASP A 60 -2.916 -5.256 -21.450 1.00 74.00 H new ATOM 0 HB2 ASP A 60 -4.178 -2.560 -22.111 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -4.424 -3.424 -20.607 1.00 1.00 H new ATOM 953 N GLU A 61 -5.004 -5.255 -23.814 1.00 50.00 N ATOM 954 CA GLU A 61 -6.247 -5.783 -24.272 1.00 71.00 C ATOM 955 C GLU A 61 -5.977 -6.950 -25.167 1.00 33.00 C ATOM 956 O GLU A 61 -4.930 -7.015 -25.835 1.00 23.00 O ATOM 957 CB GLU A 61 -7.073 -4.712 -24.993 1.00 45.00 C ATOM 958 CG GLU A 61 -6.418 -4.183 -26.242 1.00 33.00 C ATOM 959 CD GLU A 61 -7.178 -3.064 -26.881 1.00 50.00 C ATOM 960 OE1 GLU A 61 -8.120 -3.324 -27.665 1.00 44.00 O ATOM 961 OE2 GLU A 61 -6.836 -1.891 -26.633 1.00 10.00 O ATOM 0 H GLU A 61 -4.370 -4.945 -24.551 1.00 50.00 H new ATOM 0 HA GLU A 61 -6.835 -6.113 -23.416 1.00 71.00 H new ATOM 0 HB2 GLU A 61 -8.046 -5.129 -25.252 1.00 45.00 H new ATOM 0 HB3 GLU A 61 -7.254 -3.883 -24.309 1.00 45.00 H new ATOM 0 HG2 GLU A 61 -5.413 -3.838 -25.999 1.00 33.00 H new ATOM 0 HG3 GLU A 61 -6.311 -4.996 -26.960 1.00 33.00 H new ATOM 968 N ALA A 62 -6.861 -7.876 -25.163 1.00 24.00 N ATOM 969 CA ALA A 62 -6.732 -9.010 -25.968 1.00 54.00 C ATOM 970 C ALA A 62 -8.056 -9.285 -26.635 1.00 72.00 C ATOM 971 O ALA A 62 -9.115 -9.280 -25.989 1.00 54.00 O ATOM 972 CB ALA A 62 -6.259 -10.204 -25.158 1.00 34.00 C ATOM 0 H ALA A 62 -7.704 -7.859 -24.589 1.00 24.00 H new ATOM 0 HA ALA A 62 -5.977 -8.830 -26.733 1.00 54.00 H new ATOM 0 HB1 ALA A 62 -6.167 -11.073 -25.810 1.00 34.00 H new ATOM 0 HB2 ALA A 62 -5.289 -9.981 -24.713 1.00 34.00 H new ATOM 0 HB3 ALA A 62 -6.980 -10.417 -24.369 1.00 34.00 H new ATOM 978 N THR A 63 -8.006 -9.436 -27.900 1.00 74.00 N ATOM 979 CA THR A 63 -9.157 -9.732 -28.708 1.00 75.00 C ATOM 980 C THR A 63 -8.822 -10.903 -29.621 1.00 42.00 C ATOM 981 O THR A 63 -7.749 -10.937 -30.220 1.00 71.00 O ATOM 982 CB THR A 63 -9.565 -8.482 -29.528 1.00 2.00 C ATOM 983 OG1 THR A 63 -9.869 -7.407 -28.608 1.00 31.00 O ATOM 984 CG2 THR A 63 -10.783 -8.756 -30.410 1.00 60.00 C ATOM 0 H THR A 63 -7.141 -9.358 -28.435 1.00 74.00 H new ATOM 0 HA THR A 63 -10.002 -10.003 -28.076 1.00 75.00 H new ATOM 0 HB THR A 63 -8.737 -8.211 -30.183 1.00 2.00 H new ATOM 0 HG1 THR A 63 -10.128 -6.608 -29.113 1.00 31.00 H new ATOM 0 HG21 THR A 63 -11.038 -7.855 -30.969 1.00 60.00 H new ATOM 0 HG22 THR A 63 -10.554 -9.563 -31.106 1.00 60.00 H new ATOM 0 HG23 THR A 63 -11.627 -9.046 -29.785 1.00 60.00 H new ATOM 992 N VAL A 64 -9.701 -11.864 -29.700 1.00 53.00 N ATOM 993 CA VAL A 64 -9.444 -13.027 -30.497 1.00 11.00 C ATOM 994 C VAL A 64 -10.623 -13.331 -31.408 1.00 75.00 C ATOM 995 O VAL A 64 -11.636 -13.930 -31.007 1.00 0.00 O ATOM 996 CB VAL A 64 -8.951 -14.225 -29.636 1.00 2.00 C ATOM 997 CG1 VAL A 64 -9.822 -14.450 -28.446 1.00 73.00 C ATOM 998 CG2 VAL A 64 -8.820 -15.485 -30.437 1.00 64.00 C ATOM 0 H VAL A 64 -10.602 -11.863 -29.221 1.00 53.00 H new ATOM 0 HA VAL A 64 -8.609 -12.819 -31.166 1.00 11.00 H new ATOM 0 HB VAL A 64 -7.957 -13.954 -29.281 1.00 2.00 H new ATOM 0 HG11 VAL A 64 -9.443 -15.295 -27.872 1.00 73.00 H new ATOM 0 HG12 VAL A 64 -9.821 -13.557 -27.821 1.00 73.00 H new ATOM 0 HG13 VAL A 64 -10.839 -14.662 -28.775 1.00 73.00 H new ATOM 0 HG21 VAL A 64 -8.473 -16.292 -29.792 1.00 64.00 H new ATOM 0 HG22 VAL A 64 -9.789 -15.750 -30.860 1.00 64.00 H new ATOM 0 HG23 VAL A 64 -8.102 -15.331 -31.243 1.00 64.00 H new ATOM 1008 N TYR A 65 -10.470 -12.871 -32.627 1.00 40.00 N ATOM 1009 CA TYR A 65 -11.514 -12.829 -33.624 1.00 44.00 C ATOM 1010 C TYR A 65 -11.156 -13.659 -34.840 1.00 52.00 C ATOM 1011 O TYR A 65 -10.272 -13.299 -35.621 1.00 53.00 O ATOM 1012 CB TYR A 65 -11.640 -11.358 -34.051 1.00 50.00 C ATOM 1013 CG TYR A 65 -12.726 -10.945 -35.062 1.00 74.00 C ATOM 1014 CD1 TYR A 65 -12.735 -11.411 -36.377 1.00 11.00 C ATOM 1015 CD2 TYR A 65 -13.712 -10.048 -34.696 1.00 1.00 C ATOM 1016 CE1 TYR A 65 -13.696 -11.002 -37.277 1.00 72.00 C ATOM 1017 CE2 TYR A 65 -14.673 -9.630 -35.594 1.00 1.00 C ATOM 1018 CZ TYR A 65 -14.660 -10.109 -36.878 1.00 4.00 C ATOM 1019 OH TYR A 65 -15.620 -9.692 -37.773 1.00 11.00 O ATOM 0 H TYR A 65 -9.581 -12.502 -32.965 1.00 40.00 H new ATOM 0 HA TYR A 65 -12.440 -13.230 -33.212 1.00 44.00 H new ATOM 0 HB2 TYR A 65 -11.796 -10.769 -33.147 1.00 50.00 H new ATOM 0 HB3 TYR A 65 -10.678 -11.056 -34.466 1.00 50.00 H new ATOM 0 HD1 TYR A 65 -11.973 -12.107 -36.697 1.00 11.00 H new ATOM 0 HD2 TYR A 65 -13.731 -9.666 -33.686 1.00 1.00 H new ATOM 0 HE1 TYR A 65 -13.691 -11.381 -38.288 1.00 72.00 H new ATOM 0 HE2 TYR A 65 -15.433 -8.927 -35.286 1.00 1.00 H new ATOM 0 HH TYR A 65 -16.227 -9.062 -37.332 1.00 11.00 H new ATOM 1029 N LYS A 66 -11.761 -14.776 -34.948 1.00 1.00 N ATOM 1030 CA LYS A 66 -11.797 -15.498 -36.122 1.00 60.00 C ATOM 1031 C LYS A 66 -13.224 -15.320 -36.589 1.00 73.00 C ATOM 1032 O LYS A 66 -14.109 -15.121 -35.767 1.00 24.00 O ATOM 1033 CB LYS A 66 -11.556 -16.952 -35.785 1.00 53.00 C ATOM 1034 CG LYS A 66 -11.100 -17.834 -36.935 1.00 12.00 C ATOM 1035 CD LYS A 66 -9.796 -17.332 -37.550 1.00 55.00 C ATOM 1036 CE LYS A 66 -9.189 -18.337 -38.520 1.00 51.00 C ATOM 1037 NZ LYS A 66 -10.091 -18.698 -39.612 1.00 41.00 N ATOM 0 H LYS A 66 -12.262 -15.218 -34.177 1.00 1.00 H new ATOM 0 HA LYS A 66 -11.062 -15.187 -36.864 1.00 60.00 H new ATOM 0 HB2 LYS A 66 -10.807 -17.002 -34.995 1.00 53.00 H new ATOM 0 HB3 LYS A 66 -12.477 -17.368 -35.377 1.00 53.00 H new ATOM 0 HG2 LYS A 66 -10.965 -18.855 -36.579 1.00 12.00 H new ATOM 0 HG3 LYS A 66 -11.875 -17.864 -37.700 1.00 12.00 H new ATOM 0 HD2 LYS A 66 -9.981 -16.393 -38.072 1.00 55.00 H new ATOM 0 HD3 LYS A 66 -9.081 -17.120 -36.756 1.00 55.00 H new ATOM 0 HE2 LYS A 66 -8.272 -17.922 -38.937 1.00 51.00 H new ATOM 0 HE3 LYS A 66 -8.911 -19.238 -37.973 1.00 51.00 H new ATOM 0 HZ1 LYS A 66 -9.599 -19.331 -40.274 1.00 41.00 H new ATOM 0 HZ2 LYS A 66 -10.927 -19.183 -39.226 1.00 41.00 H new ATOM 0 HZ3 LYS A 66 -10.391 -17.838 -40.114 1.00 41.00 H new ATOM 1051 N ARG A 67 -13.444 -15.348 -37.848 1.00 10.00 N ATOM 1052 CA ARG A 67 -14.816 -15.279 -38.402 1.00 14.00 C ATOM 1053 C ARG A 67 -15.565 -16.535 -38.085 1.00 71.00 C ATOM 1054 O ARG A 67 -16.798 -16.581 -38.110 1.00 21.00 O ATOM 1055 CB ARG A 67 -14.798 -15.085 -39.883 1.00 72.00 C ATOM 1056 CG ARG A 67 -14.572 -13.685 -40.317 1.00 55.00 C ATOM 1057 CD ARG A 67 -14.449 -13.658 -41.796 1.00 21.00 C ATOM 1058 NE ARG A 67 -14.633 -12.308 -42.326 1.00 34.00 N ATOM 1059 CZ ARG A 67 -14.153 -11.849 -43.473 1.00 73.00 C ATOM 1060 NH1 ARG A 67 -13.270 -12.562 -44.165 1.00 4.00 N ATOM 1061 NH2 ARG A 67 -14.534 -10.653 -43.905 1.00 40.00 N ATOM 0 H ARG A 67 -12.709 -15.418 -38.552 1.00 10.00 H new ATOM 0 HA ARG A 67 -15.311 -14.423 -37.943 1.00 14.00 H new ATOM 0 HB2 ARG A 67 -14.017 -15.715 -40.310 1.00 72.00 H new ATOM 0 HB3 ARG A 67 -15.747 -15.431 -40.294 1.00 72.00 H new ATOM 0 HG2 ARG A 67 -15.399 -13.052 -39.995 1.00 55.00 H new ATOM 0 HG3 ARG A 67 -13.668 -13.288 -39.856 1.00 55.00 H new ATOM 0 HD2 ARG A 67 -13.468 -14.033 -42.087 1.00 21.00 H new ATOM 0 HD3 ARG A 67 -15.189 -14.326 -42.236 1.00 21.00 H new ATOM 0 HE ARG A 67 -15.181 -11.660 -41.761 1.00 34.00 H new ATOM 0 HH11 ARG A 67 -12.958 -13.468 -43.814 1.00 4.00 H new ATOM 0 HH12 ARG A 67 -12.904 -12.204 -45.047 1.00 4.00 H new ATOM 0 HH21 ARG A 67 -15.190 -10.097 -43.356 1.00 40.00 H new ATOM 0 HH22 ARG A 67 -14.171 -10.290 -44.786 1.00 40.00 H new ATOM 1075 N ASP A 68 -14.796 -17.556 -37.838 1.00 35.00 N ATOM 1076 CA ASP A 68 -15.295 -18.838 -37.376 1.00 23.00 C ATOM 1077 C ASP A 68 -16.035 -18.642 -36.080 1.00 70.00 C ATOM 1078 O ASP A 68 -17.088 -19.258 -35.859 1.00 4.00 O ATOM 1079 CB ASP A 68 -14.173 -19.856 -37.233 1.00 73.00 C ATOM 1080 CG ASP A 68 -14.665 -21.212 -36.800 1.00 33.00 C ATOM 1081 OD1 ASP A 68 -15.404 -21.868 -37.546 1.00 1.00 O ATOM 1082 OD2 ASP A 68 -14.309 -21.659 -35.704 1.00 74.00 O ATOM 0 H ASP A 68 -13.783 -17.529 -37.952 1.00 35.00 H new ATOM 0 HA ASP A 68 -15.983 -19.240 -38.119 1.00 23.00 H new ATOM 0 HB2 ASP A 68 -13.652 -19.951 -38.186 1.00 73.00 H new ATOM 0 HB3 ASP A 68 -13.447 -19.490 -36.507 1.00 73.00 H new ATOM 1087 N ARG A 69 -15.475 -17.755 -35.257 1.00 62.00 N ATOM 1088 CA ARG A 69 -16.082 -17.230 -34.061 1.00 12.00 C ATOM 1089 C ARG A 69 -15.030 -16.551 -33.203 1.00 24.00 C ATOM 1090 O ARG A 69 -13.899 -17.039 -33.067 1.00 42.00 O ATOM 1091 CB ARG A 69 -16.868 -18.248 -33.195 1.00 40.00 C ATOM 1092 CG ARG A 69 -17.755 -17.565 -32.160 1.00 61.00 C ATOM 1093 CD ARG A 69 -18.561 -18.533 -31.318 1.00 70.00 C ATOM 1094 NE ARG A 69 -17.733 -19.365 -30.432 1.00 14.00 N ATOM 1095 CZ ARG A 69 -17.816 -19.364 -29.083 1.00 43.00 C ATOM 1096 NH1 ARG A 69 -18.547 -18.448 -28.449 1.00 64.00 N ATOM 1097 NH2 ARG A 69 -17.146 -20.260 -28.377 1.00 53.00 N ATOM 0 H ARG A 69 -14.544 -17.374 -35.425 1.00 62.00 H new ATOM 0 HA ARG A 69 -16.830 -16.524 -34.422 1.00 12.00 H new ATOM 0 HB2 ARG A 69 -17.484 -18.873 -33.842 1.00 40.00 H new ATOM 0 HB3 ARG A 69 -16.165 -18.909 -32.688 1.00 40.00 H new ATOM 0 HG2 ARG A 69 -17.132 -16.958 -31.504 1.00 61.00 H new ATOM 0 HG3 ARG A 69 -18.437 -16.885 -32.670 1.00 61.00 H new ATOM 0 HD2 ARG A 69 -19.275 -17.972 -30.715 1.00 70.00 H new ATOM 0 HD3 ARG A 69 -19.140 -19.181 -31.976 1.00 70.00 H new ATOM 0 HE ARG A 69 -17.049 -19.985 -30.865 1.00 14.00 H new ATOM 0 HH11 ARG A 69 -19.050 -17.739 -28.982 1.00 64.00 H new ATOM 0 HH12 ARG A 69 -18.603 -18.456 -27.431 1.00 64.00 H new ATOM 0 HH21 ARG A 69 -16.566 -20.953 -28.851 1.00 53.00 H new ATOM 0 HH22 ARG A 69 -17.209 -20.258 -27.359 1.00 53.00 H new ATOM 1111 N ILE A 70 -15.375 -15.394 -32.732 1.00 61.00 N ATOM 1112 CA ILE A 70 -14.630 -14.691 -31.720 1.00 74.00 C ATOM 1113 C ILE A 70 -14.852 -15.453 -30.457 1.00 42.00 C ATOM 1114 O ILE A 70 -15.973 -15.893 -30.181 1.00 1.00 O ATOM 1115 CB ILE A 70 -15.223 -13.298 -31.480 1.00 4.00 C ATOM 1116 CG1 ILE A 70 -15.367 -12.524 -32.761 1.00 52.00 C ATOM 1117 CG2 ILE A 70 -14.391 -12.504 -30.478 1.00 41.00 C ATOM 1118 CD1 ILE A 70 -16.133 -11.233 -32.597 1.00 5.00 C ATOM 0 H ILE A 70 -16.206 -14.893 -33.046 1.00 61.00 H new ATOM 0 HA ILE A 70 -13.585 -14.601 -32.018 1.00 74.00 H new ATOM 0 HB ILE A 70 -16.218 -13.449 -31.062 1.00 4.00 H new ATOM 0 HG12 ILE A 70 -14.376 -12.302 -33.157 1.00 52.00 H new ATOM 0 HG13 ILE A 70 -15.873 -13.147 -33.499 1.00 52.00 H new ATOM 0 HG21 ILE A 70 -14.839 -11.521 -30.331 1.00 41.00 H new ATOM 0 HG22 ILE A 70 -14.362 -13.036 -29.527 1.00 41.00 H new ATOM 0 HG23 ILE A 70 -13.377 -12.387 -30.859 1.00 41.00 H new ATOM 0 HD11 ILE A 70 -16.200 -10.725 -33.559 1.00 5.00 H new ATOM 0 HD12 ILE A 70 -17.136 -11.449 -32.230 1.00 5.00 H new ATOM 0 HD13 ILE A 70 -15.616 -10.592 -31.883 1.00 5.00 H new ATOM 1130 N VAL A 71 -13.853 -15.617 -29.700 1.00 1.00 N ATOM 1131 CA VAL A 71 -14.034 -16.351 -28.471 1.00 3.00 C ATOM 1132 C VAL A 71 -13.848 -15.437 -27.271 1.00 20.00 C ATOM 1133 O VAL A 71 -14.269 -15.746 -26.165 1.00 51.00 O ATOM 1134 CB VAL A 71 -13.162 -17.653 -28.391 1.00 44.00 C ATOM 1135 CG1 VAL A 71 -13.387 -18.512 -29.635 1.00 32.00 C ATOM 1136 CG2 VAL A 71 -11.680 -17.369 -28.210 1.00 31.00 C ATOM 0 H VAL A 71 -12.910 -15.272 -29.879 1.00 1.00 H new ATOM 0 HA VAL A 71 -15.063 -16.710 -28.457 1.00 3.00 H new ATOM 0 HB VAL A 71 -13.486 -18.195 -27.502 1.00 44.00 H new ATOM 0 HG11 VAL A 71 -12.777 -19.413 -29.570 1.00 32.00 H new ATOM 0 HG12 VAL A 71 -14.439 -18.789 -29.700 1.00 32.00 H new ATOM 0 HG13 VAL A 71 -13.105 -17.947 -30.523 1.00 32.00 H new ATOM 0 HG21 VAL A 71 -11.132 -18.310 -28.162 1.00 31.00 H new ATOM 0 HG22 VAL A 71 -11.317 -16.780 -29.052 1.00 31.00 H new ATOM 0 HG23 VAL A 71 -11.526 -16.812 -27.286 1.00 31.00 H new ATOM 1146 N LEU A 72 -13.303 -14.267 -27.535 1.00 30.00 N ATOM 1147 CA LEU A 72 -13.010 -13.266 -26.514 1.00 14.00 C ATOM 1148 C LEU A 72 -12.838 -11.912 -27.179 1.00 14.00 C ATOM 1149 O LEU A 72 -11.916 -11.733 -27.976 1.00 41.00 O ATOM 1150 CB LEU A 72 -11.705 -13.617 -25.783 1.00 12.00 C ATOM 1151 CG LEU A 72 -11.826 -14.474 -24.548 1.00 61.00 C ATOM 1152 CD1 LEU A 72 -10.505 -15.142 -24.268 1.00 33.00 C ATOM 1153 CD2 LEU A 72 -12.189 -13.595 -23.374 1.00 52.00 C ATOM 0 H LEU A 72 -13.045 -13.975 -28.478 1.00 30.00 H new ATOM 0 HA LEU A 72 -13.833 -13.242 -25.799 1.00 14.00 H new ATOM 0 HB2 LEU A 72 -11.048 -14.127 -26.487 1.00 12.00 H new ATOM 0 HB3 LEU A 72 -11.211 -12.686 -25.503 1.00 12.00 H new ATOM 0 HG LEU A 72 -12.594 -15.232 -24.702 1.00 61.00 H new ATOM 0 HD11 LEU A 72 -10.592 -15.761 -23.375 1.00 33.00 H new ATOM 0 HD12 LEU A 72 -10.226 -15.766 -25.117 1.00 33.00 H new ATOM 0 HD13 LEU A 72 -9.740 -14.382 -24.109 1.00 33.00 H new ATOM 0 HD21 LEU A 72 -12.279 -14.206 -22.476 1.00 52.00 H new ATOM 0 HD22 LEU A 72 -11.412 -12.845 -23.227 1.00 52.00 H new ATOM 0 HD23 LEU A 72 -13.139 -13.098 -23.571 1.00 52.00 H new ATOM 1165 N ASN A 73 -13.709 -10.965 -26.904 1.00 22.00 N ATOM 1166 CA ASN A 73 -13.550 -9.641 -27.541 1.00 24.00 C ATOM 1167 C ASN A 73 -13.280 -8.560 -26.537 1.00 42.00 C ATOM 1168 O ASN A 73 -13.147 -7.389 -26.882 1.00 74.00 O ATOM 1169 CB ASN A 73 -14.735 -9.258 -28.430 1.00 2.00 C ATOM 1170 CG ASN A 73 -16.011 -8.936 -27.645 1.00 73.00 C ATOM 1171 OD1 ASN A 73 -16.258 -7.778 -27.256 1.00 60.00 O ATOM 1172 ND2 ASN A 73 -16.836 -9.925 -27.425 1.00 24.00 N ATOM 0 H ASN A 73 -14.506 -11.061 -26.275 1.00 22.00 H new ATOM 0 HA ASN A 73 -12.677 -9.734 -28.187 1.00 24.00 H new ATOM 0 HB2 ASN A 73 -14.461 -8.392 -29.033 1.00 2.00 H new ATOM 0 HB3 ASN A 73 -14.940 -10.076 -29.121 1.00 2.00 H new ATOM 0 HD21 ASN A 73 -17.708 -9.759 -26.923 1.00 24.00 H new ATOM 0 HD22 ASN A 73 -16.608 -10.863 -27.755 1.00 24.00 H new ATOM 1179 N ASN A 74 -13.125 -8.960 -25.330 1.00 13.00 N ATOM 1180 CA ASN A 74 -12.900 -8.046 -24.252 1.00 31.00 C ATOM 1181 C ASN A 74 -12.274 -8.804 -23.138 1.00 10.00 C ATOM 1182 O ASN A 74 -12.938 -9.458 -22.322 1.00 71.00 O ATOM 1183 CB ASN A 74 -14.168 -7.295 -23.799 1.00 3.00 C ATOM 1184 CG ASN A 74 -13.828 -6.071 -22.942 1.00 44.00 C ATOM 1185 OD1 ASN A 74 -13.554 -5.002 -23.473 1.00 11.00 O ATOM 1186 ND2 ASN A 74 -13.906 -6.182 -21.650 1.00 3.00 N ATOM 0 H ASN A 74 -13.149 -9.940 -25.050 1.00 13.00 H new ATOM 0 HA ASN A 74 -12.234 -7.256 -24.599 1.00 31.00 H new ATOM 0 HB2 ASN A 74 -14.736 -6.980 -24.674 1.00 3.00 H new ATOM 0 HB3 ASN A 74 -14.807 -7.971 -23.231 1.00 3.00 H new ATOM 0 HD21 ASN A 74 -13.738 -5.369 -21.057 1.00 3.00 H new ATOM 0 HD22 ASN A 74 -14.136 -7.082 -21.228 1.00 3.00 H new ATOM 1193 N CYS A 75 -11.009 -8.835 -23.216 1.00 13.00 N ATOM 1194 CA CYS A 75 -10.171 -9.471 -22.274 1.00 40.00 C ATOM 1195 C CYS A 75 -9.131 -8.442 -21.981 1.00 23.00 C ATOM 1196 O CYS A 75 -8.685 -7.745 -22.912 1.00 21.00 O ATOM 1197 CB CYS A 75 -9.552 -10.702 -22.910 1.00 63.00 C ATOM 1198 SG CYS A 75 -8.857 -11.917 -21.756 1.00 2.00 S ATOM 0 H CYS A 75 -10.494 -8.395 -23.979 1.00 13.00 H new ATOM 0 HA CYS A 75 -10.688 -9.804 -21.374 1.00 40.00 H new ATOM 0 HB2 CYS A 75 -10.311 -11.196 -23.516 1.00 63.00 H new ATOM 0 HB3 CYS A 75 -8.763 -10.380 -23.589 1.00 63.00 H new ATOM 1203 N GLN A 76 -8.737 -8.317 -20.755 1.00 31.00 N ATOM 1204 CA GLN A 76 -7.947 -7.212 -20.341 1.00 72.00 C ATOM 1205 C GLN A 76 -6.947 -7.704 -19.416 1.00 71.00 C ATOM 1206 O GLN A 76 -7.251 -8.246 -18.353 1.00 60.00 O ATOM 1207 CB GLN A 76 -8.797 -6.131 -19.707 1.00 3.00 C ATOM 1208 CG GLN A 76 -9.796 -5.545 -20.670 1.00 23.00 C ATOM 1209 CD GLN A 76 -10.744 -4.601 -20.006 1.00 4.00 C ATOM 1210 OE1 GLN A 76 -10.505 -3.398 -19.943 1.00 13.00 O ATOM 1211 NE2 GLN A 76 -11.801 -5.133 -19.467 1.00 60.00 N ATOM 0 H GLN A 76 -8.957 -8.982 -20.013 1.00 31.00 H new ATOM 0 HA GLN A 76 -7.465 -6.756 -21.206 1.00 72.00 H new ATOM 0 HB2 GLN A 76 -9.325 -6.545 -18.848 1.00 3.00 H new ATOM 0 HB3 GLN A 76 -8.150 -5.338 -19.332 1.00 3.00 H new ATOM 0 HG2 GLN A 76 -9.265 -5.022 -21.466 1.00 23.00 H new ATOM 0 HG3 GLN A 76 -10.360 -6.351 -21.139 1.00 23.00 H new ATOM 0 HE21 GLN A 76 -11.962 -6.137 -19.543 1.00 60.00 H new ATOM 0 HE22 GLN A 76 -12.470 -4.546 -18.968 1.00 60.00 H new ATOM 1220 N LEU A 77 -5.790 -7.572 -19.828 1.00 41.00 N ATOM 1221 CA LEU A 77 -4.692 -8.101 -19.156 1.00 11.00 C ATOM 1222 C LEU A 77 -4.154 -7.104 -18.141 1.00 24.00 C ATOM 1223 O LEU A 77 -4.040 -5.926 -18.453 1.00 73.00 O ATOM 1224 CB LEU A 77 -3.643 -8.476 -20.194 1.00 54.00 C ATOM 1225 CG LEU A 77 -2.260 -8.904 -19.720 1.00 32.00 C ATOM 1226 CD1 LEU A 77 -2.363 -9.983 -18.682 1.00 11.00 C ATOM 1227 CD2 LEU A 77 -1.439 -9.355 -20.923 1.00 50.00 C ATOM 0 H LEU A 77 -5.551 -7.071 -20.683 1.00 41.00 H new ATOM 0 HA LEU A 77 -4.978 -8.991 -18.595 1.00 11.00 H new ATOM 0 HB2 LEU A 77 -4.051 -9.288 -20.797 1.00 54.00 H new ATOM 0 HB3 LEU A 77 -3.514 -7.620 -20.857 1.00 54.00 H new ATOM 0 HG LEU A 77 -1.756 -8.060 -19.250 1.00 32.00 H new ATOM 0 HD11 LEU A 77 -1.363 -10.273 -18.358 1.00 11.00 H new ATOM 0 HD12 LEU A 77 -2.928 -9.612 -17.827 1.00 11.00 H new ATOM 0 HD13 LEU A 77 -2.872 -10.848 -19.106 1.00 11.00 H new ATOM 0 HD21 LEU A 77 -0.447 -9.663 -20.592 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -1.936 -10.194 -21.409 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -1.346 -8.530 -21.630 1.00 50.00 H new ATOM 1239 N GLN A 78 -3.838 -7.548 -16.928 1.00 34.00 N ATOM 1240 CA GLN A 78 -3.199 -6.616 -16.017 1.00 51.00 C ATOM 1241 C GLN A 78 -1.685 -6.557 -16.260 1.00 5.00 C ATOM 1242 O GLN A 78 -1.145 -5.499 -16.584 1.00 24.00 O ATOM 1243 CB GLN A 78 -3.544 -6.867 -14.546 1.00 30.00 C ATOM 1244 CG GLN A 78 -3.308 -8.270 -14.062 1.00 12.00 C ATOM 1245 CD GLN A 78 -3.562 -8.402 -12.585 1.00 21.00 C ATOM 1246 OE1 GLN A 78 -4.780 -8.630 -12.220 1.00 53.00 O flip ATOM 1247 NE2 GLN A 78 -2.655 -8.242 -11.779 1.00 44.00 N flip ATOM 0 H GLN A 78 -4.002 -8.489 -16.571 1.00 34.00 H new ATOM 0 HA GLN A 78 -3.611 -5.632 -16.241 1.00 51.00 H new ATOM 0 HB2 GLN A 78 -2.958 -6.184 -13.931 1.00 30.00 H new ATOM 0 HB3 GLN A 78 -4.593 -6.617 -14.388 1.00 30.00 H new ATOM 0 HG2 GLN A 78 -3.958 -8.956 -14.605 1.00 12.00 H new ATOM 0 HG3 GLN A 78 -2.281 -8.562 -14.282 1.00 12.00 H new ATOM 0 HE21 GLN A 78 -1.706 -8.064 -12.108 1.00 44.00 H new ATOM 0 HE22 GLN A 78 -2.848 -8.287 -10.778 1.00 44.00 H new ATOM 1256 N ASN A 79 -1.023 -7.694 -16.164 1.00 23.00 N ATOM 1257 CA ASN A 79 0.403 -7.793 -16.358 1.00 41.00 C ATOM 1258 C ASN A 79 0.702 -9.252 -16.431 1.00 42.00 C ATOM 1259 O ASN A 79 0.512 -9.965 -15.444 1.00 32.00 O ATOM 1260 CB ASN A 79 1.174 -7.161 -15.193 1.00 31.00 C ATOM 1261 CG ASN A 79 2.676 -7.153 -15.423 1.00 2.00 C ATOM 1262 OD1 ASN A 79 3.212 -6.216 -16.011 1.00 63.00 O ATOM 1263 ND2 ASN A 79 3.370 -8.154 -14.943 1.00 12.00 N ATOM 0 H ASN A 79 -1.470 -8.584 -15.946 1.00 23.00 H new ATOM 0 HA ASN A 79 0.707 -7.262 -17.260 1.00 41.00 H new ATOM 0 HB2 ASN A 79 0.827 -6.138 -15.045 1.00 31.00 H new ATOM 0 HB3 ASN A 79 0.953 -7.708 -14.277 1.00 31.00 H new ATOM 0 HD21 ASN A 79 4.384 -8.170 -15.052 1.00 12.00 H new ATOM 0 HD22 ASN A 79 2.897 -8.917 -14.460 1.00 12.00 H new ATOM 1270 N PRO A 80 1.095 -9.744 -17.592 1.00 3.00 N ATOM 1271 CA PRO A 80 1.277 -11.167 -17.806 1.00 14.00 C ATOM 1272 C PRO A 80 2.391 -11.822 -16.998 1.00 33.00 C ATOM 1273 O PRO A 80 2.306 -13.028 -16.691 1.00 4.00 O ATOM 1274 CB PRO A 80 1.515 -11.296 -19.303 1.00 54.00 C ATOM 1275 CG PRO A 80 2.042 -9.975 -19.709 1.00 2.00 C ATOM 1276 CD PRO A 80 1.351 -8.979 -18.832 1.00 61.00 C ATOM 0 HA PRO A 80 0.398 -11.705 -17.452 1.00 14.00 H new ATOM 0 HB2 PRO A 80 2.226 -12.092 -19.525 1.00 54.00 H new ATOM 0 HB3 PRO A 80 0.593 -11.535 -19.832 1.00 54.00 H new ATOM 0 HG2 PRO A 80 3.123 -9.928 -19.579 1.00 2.00 H new ATOM 0 HG3 PRO A 80 1.838 -9.778 -20.762 1.00 2.00 H new ATOM 0 HD2 PRO A 80 1.975 -8.105 -18.645 1.00 61.00 H new ATOM 0 HD3 PRO A 80 0.426 -8.619 -19.282 1.00 61.00 H new ATOM 1284 N GLN A 81 3.419 -11.067 -16.645 1.00 11.00 N ATOM 1285 CA GLN A 81 4.490 -11.614 -15.909 1.00 34.00 C ATOM 1286 C GLN A 81 4.084 -11.856 -14.480 1.00 41.00 C ATOM 1287 O GLN A 81 4.004 -10.922 -13.668 1.00 34.00 O ATOM 1288 CB GLN A 81 5.702 -10.736 -15.964 1.00 41.00 C ATOM 1289 CG GLN A 81 6.904 -11.378 -15.344 1.00 72.00 C ATOM 1290 CD GLN A 81 8.129 -10.498 -15.352 1.00 21.00 C ATOM 1291 OE1 GLN A 81 8.381 -9.742 -14.411 1.00 73.00 O ATOM 1292 NE2 GLN A 81 8.900 -10.581 -16.404 1.00 20.00 N ATOM 0 H GLN A 81 3.512 -10.076 -16.868 1.00 11.00 H new ATOM 0 HA GLN A 81 4.748 -12.569 -16.367 1.00 34.00 H new ATOM 0 HB2 GLN A 81 5.921 -10.489 -17.003 1.00 41.00 H new ATOM 0 HB3 GLN A 81 5.490 -9.798 -15.451 1.00 41.00 H new ATOM 0 HG2 GLN A 81 6.670 -11.651 -14.315 1.00 72.00 H new ATOM 0 HG3 GLN A 81 7.127 -12.303 -15.876 1.00 72.00 H new ATOM 0 HE21 GLN A 81 8.660 -11.218 -17.163 1.00 20.00 H new ATOM 0 HE22 GLN A 81 9.742 -10.009 -16.466 1.00 20.00 H new ATOM 1301 N ARG A 82 3.686 -13.068 -14.259 1.00 4.00 N ATOM 1302 CA ARG A 82 3.402 -13.614 -12.934 1.00 43.00 C ATOM 1303 C ARG A 82 4.572 -13.334 -12.000 1.00 23.00 C ATOM 1304 O ARG A 82 5.596 -14.044 -12.082 1.00 1.00 O ATOM 1305 CB ARG A 82 3.176 -15.131 -13.008 1.00 2.00 C ATOM 1306 CG ARG A 82 2.037 -15.548 -13.908 1.00 55.00 C ATOM 1307 CD ARG A 82 1.893 -17.067 -13.983 1.00 41.00 C ATOM 1308 NE ARG A 82 1.513 -17.691 -12.701 1.00 52.00 N ATOM 1309 CZ ARG A 82 1.061 -18.961 -12.588 1.00 62.00 C ATOM 1310 NH1 ARG A 82 1.013 -19.752 -13.656 1.00 24.00 N ATOM 1311 NH2 ARG A 82 0.684 -19.440 -11.408 1.00 51.00 N ATOM 1312 OXT ARG A 82 4.479 -12.410 -11.176 1.00 30.00 O ATOM 0 H ARG A 82 3.539 -13.743 -15.010 1.00 4.00 H new ATOM 0 HA ARG A 82 2.498 -13.137 -12.555 1.00 43.00 H new ATOM 0 HB2 ARG A 82 4.092 -15.606 -13.358 1.00 2.00 H new ATOM 0 HB3 ARG A 82 2.986 -15.507 -12.003 1.00 2.00 H new ATOM 0 HG2 ARG A 82 1.107 -15.113 -13.541 1.00 55.00 H new ATOM 0 HG3 ARG A 82 2.202 -15.150 -14.909 1.00 55.00 H new ATOM 0 HD2 ARG A 82 1.143 -17.315 -14.734 1.00 41.00 H new ATOM 0 HD3 ARG A 82 2.836 -17.496 -14.320 1.00 41.00 H new ATOM 0 HE ARG A 82 1.596 -17.133 -11.851 1.00 52.00 H new ATOM 0 HH11 ARG A 82 1.318 -19.402 -14.564 1.00 24.00 H new ATOM 0 HH12 ARG A 82 0.672 -20.709 -13.567 1.00 24.00 H new ATOM 0 HH21 ARG A 82 0.734 -18.849 -10.578 1.00 51.00 H new ATOM 0 HH22 ARG A 82 0.344 -20.399 -11.332 1.00 51.00 H new TER 1326 ARG A 82