USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 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 31 TYR OH : rot -96:sc= 0.926 USER MOD Set 1.2: A 82 TYR OH : rot 120:sc= 0.916 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 168:sc= -0.382 (180deg=-0.401) USER MOD Set 2.2: A 26 THR OG1 : rot -150:sc= -0.245 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 162:sc= -0.0318 (180deg=-0.24) USER MOD Set 3.2: A 15 THR OG1 : rot 166:sc= 1.24 USER MOD Single : A 1 LYS N :NH3+ -125:sc= 0.999 (180deg=-0.51) USER MOD Single : A 1 LYS NZ :NH3+ -123:sc= 0.183 (180deg=-0.518) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 4 GLN : amide:sc= 0.722 K(o=0.72,f=-6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.024 (180deg=-0.233) USER MOD Single : A 19 SER OG : rot 73:sc= 0.79 USER MOD Single : A 23 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.47 K(o=0.47,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 41 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00422 X(o=-0.0042,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -0.556 (180deg=-2.19!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc=-0.00544 (180deg=-0.121) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -178:sc= -1.06 (180deg=-1.13) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.05 (180deg=-0.989!) USER MOD Single : A 81 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.083) USER MOD Single : A 84 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 87 MET CE :methyl 143:sc= -0.313 (180deg=-2.15) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.00038) USER MOD Single : A 93 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.15) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0224 (180deg=-0.263) USER MOD Single : A 95 MET CE :methyl 155:sc= -9.37! (180deg=-10.8!) USER MOD Single : A 99 ASN : amide:sc= -3.82! C(o=-3.8!,f=-4.8!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.033) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -23.080 -9.648 3.830 1.00 0.00 N ATOM 2 CA LYS A 1 -22.715 -11.027 4.235 1.00 0.00 C ATOM 3 C LYS A 1 -21.834 -10.990 5.479 1.00 0.00 C ATOM 4 O LYS A 1 -22.258 -10.505 6.529 1.00 0.00 O ATOM 5 CB LYS A 1 -21.988 -11.737 3.089 1.00 0.00 C ATOM 6 CG LYS A 1 -22.793 -11.771 1.804 1.00 0.00 C ATOM 7 CD LYS A 1 -21.998 -12.359 0.654 1.00 0.00 C ATOM 8 CE LYS A 1 -22.721 -12.152 -0.666 1.00 0.00 C ATOM 9 NZ LYS A 1 -22.889 -10.708 -0.977 1.00 0.00 N ATOM 0 H1 LYS A 1 -24.115 -9.567 3.767 1.00 0.00 H new ATOM 0 H2 LYS A 1 -22.722 -8.973 4.535 1.00 0.00 H new ATOM 0 H3 LYS A 1 -22.659 -9.436 2.903 1.00 0.00 H new ATOM 0 HA LYS A 1 -23.625 -11.581 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -21.039 -11.235 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -21.755 -12.758 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -23.698 -12.359 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -23.110 -10.760 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.014 -11.893 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -21.839 -13.424 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -22.162 -12.635 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -23.699 -12.632 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -23.899 -10.497 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -22.516 -10.138 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -22.370 -10.478 -1.849 1.00 0.00 H new ATOM 25 N SER A 2 -20.612 -11.503 5.362 1.00 0.00 N ATOM 26 CA SER A 2 -19.628 -11.380 6.425 1.00 0.00 C ATOM 27 C SER A 2 -19.264 -9.911 6.597 1.00 0.00 C ATOM 28 O SER A 2 -19.373 -9.346 7.688 1.00 0.00 O ATOM 29 CB SER A 2 -18.394 -12.212 6.080 1.00 0.00 C ATOM 30 OG SER A 2 -18.005 -11.993 4.733 1.00 0.00 O ATOM 0 H SER A 2 -20.283 -12.008 4.539 1.00 0.00 H new ATOM 0 HA SER A 2 -20.039 -11.753 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.574 -11.950 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.607 -13.270 6.235 1.00 0.00 H new ATOM 0 HG SER A 2 -17.212 -12.532 4.530 1.00 0.00 H new ATOM 36 N VAL A 3 -18.841 -9.298 5.499 1.00 0.00 N ATOM 37 CA VAL A 3 -18.681 -7.858 5.442 1.00 0.00 C ATOM 38 C VAL A 3 -20.058 -7.207 5.380 1.00 0.00 C ATOM 39 O VAL A 3 -21.022 -7.825 4.910 1.00 0.00 O ATOM 40 CB VAL A 3 -17.836 -7.424 4.224 1.00 0.00 C ATOM 41 CG1 VAL A 3 -16.398 -7.901 4.378 1.00 0.00 C ATOM 42 CG2 VAL A 3 -18.437 -7.956 2.931 1.00 0.00 C ATOM 0 H VAL A 3 -18.602 -9.782 4.634 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.152 -7.535 6.338 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.839 -6.335 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -15.816 -7.587 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.966 -7.469 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -16.381 -8.988 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.825 -7.638 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.469 -9.045 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.448 -7.567 2.813 1.00 0.00 H new ATOM 52 N GLN A 4 -20.157 -5.975 5.857 1.00 0.00 N ATOM 53 CA GLN A 4 -21.450 -5.314 5.980 1.00 0.00 C ATOM 54 C GLN A 4 -22.029 -4.929 4.623 1.00 0.00 C ATOM 55 O GLN A 4 -23.250 -4.868 4.473 1.00 0.00 O ATOM 56 CB GLN A 4 -21.340 -4.085 6.877 1.00 0.00 C ATOM 57 CG GLN A 4 -20.993 -4.425 8.316 1.00 0.00 C ATOM 58 CD GLN A 4 -20.917 -3.205 9.207 1.00 0.00 C ATOM 59 OE1 GLN A 4 -20.566 -2.112 8.761 1.00 0.00 O ATOM 60 NE2 GLN A 4 -21.257 -3.382 10.473 1.00 0.00 N ATOM 0 H GLN A 4 -19.362 -5.414 6.164 1.00 0.00 H new ATOM 0 HA GLN A 4 -22.135 -6.028 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.579 -3.416 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -22.285 -3.542 6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -21.741 -5.112 8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.036 -4.947 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.542 -4.305 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.234 -2.595 11.122 1.00 0.00 H new ATOM 69 N GLU A 5 -21.157 -4.685 3.645 1.00 0.00 N ATOM 70 CA GLU A 5 -21.587 -4.301 2.300 1.00 0.00 C ATOM 71 C GLU A 5 -22.455 -3.044 2.347 1.00 0.00 C ATOM 72 O GLU A 5 -22.308 -2.217 3.252 1.00 0.00 O ATOM 73 CB GLU A 5 -22.359 -5.446 1.633 1.00 0.00 C ATOM 74 CG GLU A 5 -21.524 -6.691 1.387 1.00 0.00 C ATOM 75 CD GLU A 5 -22.272 -7.743 0.596 1.00 0.00 C ATOM 76 OE1 GLU A 5 -22.447 -7.559 -0.629 1.00 0.00 O ATOM 77 OE2 GLU A 5 -22.676 -8.767 1.188 1.00 0.00 O ATOM 0 H GLU A 5 -20.145 -4.747 3.759 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.696 -4.087 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.211 -5.710 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.759 -5.095 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.616 -6.415 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.214 -7.112 2.344 1.00 0.00 H new ATOM 84 N LYS A 6 -23.334 -2.897 1.351 1.00 0.00 N ATOM 85 CA LYS A 6 -24.277 -1.776 1.285 1.00 0.00 C ATOM 86 C LYS A 6 -23.547 -0.438 1.270 1.00 0.00 C ATOM 87 O LYS A 6 -24.059 0.575 1.752 1.00 0.00 O ATOM 88 CB LYS A 6 -25.267 -1.832 2.452 1.00 0.00 C ATOM 89 CG LYS A 6 -26.208 -3.023 2.388 1.00 0.00 C ATOM 90 CD LYS A 6 -27.221 -2.991 3.520 1.00 0.00 C ATOM 91 CE LYS A 6 -28.249 -4.102 3.377 1.00 0.00 C ATOM 92 NZ LYS A 6 -29.297 -4.029 4.428 1.00 0.00 N ATOM 0 H LYS A 6 -23.412 -3.549 0.570 1.00 0.00 H new ATOM 0 HA LYS A 6 -24.833 -1.866 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.711 -1.867 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -25.855 -0.914 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -26.730 -3.025 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -25.632 -3.947 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.705 -3.092 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -27.726 -2.025 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -28.716 -4.039 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.748 -5.069 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -29.978 -4.804 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -28.855 -4.114 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.793 -3.117 4.361 1.00 0.00 H new ATOM 106 N ARG A 7 -22.359 -0.437 0.689 1.00 0.00 N ATOM 107 CA ARG A 7 -21.556 0.767 0.585 1.00 0.00 C ATOM 108 C ARG A 7 -20.952 0.859 -0.805 1.00 0.00 C ATOM 109 O ARG A 7 -20.692 -0.160 -1.444 1.00 0.00 O ATOM 110 CB ARG A 7 -20.456 0.778 1.650 1.00 0.00 C ATOM 111 CG ARG A 7 -20.972 1.009 3.061 1.00 0.00 C ATOM 112 CD ARG A 7 -19.857 0.893 4.089 1.00 0.00 C ATOM 113 NE ARG A 7 -20.303 1.274 5.429 1.00 0.00 N ATOM 114 CZ ARG A 7 -20.262 0.467 6.490 1.00 0.00 C ATOM 115 NH1 ARG A 7 -19.843 -0.786 6.359 1.00 0.00 N ATOM 116 NH2 ARG A 7 -20.646 0.912 7.682 1.00 0.00 N ATOM 0 H ARG A 7 -21.927 -1.265 0.279 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.196 1.633 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -19.923 -0.172 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -19.734 1.557 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -21.427 1.998 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.753 0.283 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -19.487 -0.132 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.022 1.527 3.791 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.669 2.217 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.552 -1.133 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.813 -1.401 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.973 1.872 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.614 0.293 8.492 1.00 0.00 H new ATOM 130 N ASN A 8 -20.727 2.076 -1.270 1.00 0.00 N ATOM 131 CA ASN A 8 -20.231 2.294 -2.622 1.00 0.00 C ATOM 132 C ASN A 8 -18.757 1.938 -2.728 1.00 0.00 C ATOM 133 O ASN A 8 -18.309 1.435 -3.759 1.00 0.00 O ATOM 134 CB ASN A 8 -20.460 3.745 -3.049 1.00 0.00 C ATOM 135 CG ASN A 8 -21.926 4.048 -3.280 1.00 0.00 C ATOM 136 OD1 ASN A 8 -22.694 3.175 -3.682 1.00 0.00 O ATOM 137 ND2 ASN A 8 -22.329 5.279 -3.026 1.00 0.00 N ATOM 0 H ASN A 8 -20.879 2.930 -0.733 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.787 1.640 -3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.069 4.414 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.901 3.946 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.307 5.534 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.662 5.976 -2.694 1.00 0.00 H new ATOM 144 N ASN A 9 -18.010 2.210 -1.658 1.00 0.00 N ATOM 145 CA ASN A 9 -16.585 1.866 -1.590 1.00 0.00 C ATOM 146 C ASN A 9 -15.782 2.645 -2.625 1.00 0.00 C ATOM 147 O ASN A 9 -14.645 2.293 -2.928 1.00 0.00 O ATOM 148 CB ASN A 9 -16.362 0.358 -1.803 1.00 0.00 C ATOM 149 CG ASN A 9 -16.640 -0.487 -0.571 1.00 0.00 C ATOM 150 OD1 ASN A 9 -16.034 -1.540 -0.384 1.00 0.00 O ATOM 151 ND2 ASN A 9 -17.557 -0.046 0.271 1.00 0.00 N ATOM 0 H ASN A 9 -18.368 2.670 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.239 2.136 -0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.002 0.018 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.332 0.194 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.782 -0.584 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.040 0.833 0.084 1.00 0.00 H new ATOM 158 N THR A 10 -16.356 3.727 -3.136 1.00 0.00 N ATOM 159 CA THR A 10 -15.730 4.485 -4.211 1.00 0.00 C ATOM 160 C THR A 10 -14.717 5.484 -3.678 1.00 0.00 C ATOM 161 O THR A 10 -14.270 6.387 -4.383 1.00 0.00 O ATOM 162 CB THR A 10 -16.781 5.209 -5.073 1.00 0.00 C ATOM 163 OG1 THR A 10 -17.675 5.956 -4.236 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.573 4.213 -5.908 1.00 0.00 C ATOM 0 H THR A 10 -17.253 4.099 -2.824 1.00 0.00 H new ATOM 0 HA THR A 10 -15.203 3.766 -4.838 1.00 0.00 H new ATOM 0 HB THR A 10 -16.260 5.891 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.339 6.414 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.310 4.746 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.895 3.668 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.083 3.510 -5.249 1.00 0.00 H new ATOM 172 N ARG A 11 -14.350 5.288 -2.431 1.00 0.00 N ATOM 173 CA ARG A 11 -13.337 6.101 -1.781 1.00 0.00 C ATOM 174 C ARG A 11 -12.627 5.261 -0.726 1.00 0.00 C ATOM 175 O ARG A 11 -12.004 5.783 0.199 1.00 0.00 O ATOM 176 CB ARG A 11 -13.973 7.342 -1.147 1.00 0.00 C ATOM 177 CG ARG A 11 -13.065 8.566 -1.164 1.00 0.00 C ATOM 178 CD ARG A 11 -13.728 9.771 -0.514 1.00 0.00 C ATOM 179 NE ARG A 11 -15.064 10.008 -1.055 1.00 0.00 N ATOM 180 CZ ARG A 11 -16.162 10.081 -0.304 1.00 0.00 C ATOM 181 NH1 ARG A 11 -16.065 10.056 1.019 1.00 0.00 N ATOM 182 NH2 ARG A 11 -17.353 10.210 -0.879 1.00 0.00 N ATOM 0 H ARG A 11 -14.744 4.560 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.611 6.439 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.897 7.577 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.244 7.115 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.136 8.337 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.801 8.808 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.794 9.614 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.110 10.655 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.162 10.124 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.149 9.981 1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.906 10.112 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.427 10.253 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.194 10.266 -0.304 1.00 0.00 H new ATOM 196 N ALA A 12 -12.720 3.945 -0.889 1.00 0.00 N ATOM 197 CA ALA A 12 -12.110 3.006 0.041 1.00 0.00 C ATOM 198 C ALA A 12 -10.723 2.604 -0.435 1.00 0.00 C ATOM 199 O ALA A 12 -10.446 2.633 -1.635 1.00 0.00 O ATOM 200 CB ALA A 12 -12.988 1.775 0.203 1.00 0.00 C ATOM 0 H ALA A 12 -13.216 3.504 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.014 3.497 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.518 1.082 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.964 2.072 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.112 1.287 -0.764 1.00 0.00 H new ATOM 206 N PHE A 13 -9.872 2.199 0.506 1.00 0.00 N ATOM 207 CA PHE A 13 -8.475 1.877 0.215 1.00 0.00 C ATOM 208 C PHE A 13 -8.340 0.923 -0.972 1.00 0.00 C ATOM 209 O PHE A 13 -7.552 1.174 -1.882 1.00 0.00 O ATOM 210 CB PHE A 13 -7.804 1.268 1.449 1.00 0.00 C ATOM 211 CG PHE A 13 -6.368 0.873 1.229 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.351 1.801 1.381 1.00 0.00 C ATOM 213 CD2 PHE A 13 -6.035 -0.425 0.867 1.00 0.00 C ATOM 214 CE1 PHE A 13 -4.033 1.446 1.178 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.718 -0.785 0.662 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.715 0.153 0.818 1.00 0.00 C ATOM 0 H PHE A 13 -10.129 2.085 1.487 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.977 2.809 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.852 1.986 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.369 0.390 1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.593 2.815 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.815 -1.162 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.251 2.180 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.472 -1.798 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.684 -0.126 0.658 1.00 0.00 H new ATOM 226 N LYS A 14 -9.118 -0.155 -0.967 1.00 0.00 N ATOM 227 CA LYS A 14 -9.005 -1.183 -1.998 1.00 0.00 C ATOM 228 C LYS A 14 -9.329 -0.617 -3.383 1.00 0.00 C ATOM 229 O LYS A 14 -8.652 -0.926 -4.362 1.00 0.00 O ATOM 230 CB LYS A 14 -9.920 -2.375 -1.677 1.00 0.00 C ATOM 231 CG LYS A 14 -11.406 -2.071 -1.787 1.00 0.00 C ATOM 232 CD LYS A 14 -12.252 -3.273 -1.402 1.00 0.00 C ATOM 233 CE LYS A 14 -13.695 -3.113 -1.857 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.818 -3.199 -3.336 1.00 0.00 N ATOM 0 H LYS A 14 -9.832 -0.340 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.972 -1.531 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.678 -3.196 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.706 -2.720 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.655 -1.229 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.642 -1.771 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.828 -4.174 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.224 -3.407 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.310 -3.885 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.080 -2.152 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.808 -3.392 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.519 -2.299 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.213 -3.967 -3.691 1.00 0.00 H new ATOM 248 N THR A 15 -10.342 0.237 -3.449 1.00 0.00 N ATOM 249 CA THR A 15 -10.791 0.795 -4.713 1.00 0.00 C ATOM 250 C THR A 15 -9.834 1.883 -5.191 1.00 0.00 C ATOM 251 O THR A 15 -9.610 2.063 -6.394 1.00 0.00 O ATOM 252 CB THR A 15 -12.207 1.376 -4.568 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.042 0.441 -3.871 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.819 1.684 -5.927 1.00 0.00 C ATOM 0 H THR A 15 -10.869 0.558 -2.637 1.00 0.00 H new ATOM 0 HA THR A 15 -10.808 -0.007 -5.451 1.00 0.00 H new ATOM 0 HB THR A 15 -12.136 2.306 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.866 0.888 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.820 2.093 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.198 2.411 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.878 0.768 -6.515 1.00 0.00 H new ATOM 262 N VAL A 16 -9.265 2.600 -4.235 1.00 0.00 N ATOM 263 CA VAL A 16 -8.297 3.643 -4.525 1.00 0.00 C ATOM 264 C VAL A 16 -6.993 3.036 -5.009 1.00 0.00 C ATOM 265 O VAL A 16 -6.458 3.442 -6.036 1.00 0.00 O ATOM 266 CB VAL A 16 -8.044 4.509 -3.282 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.924 5.512 -3.532 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.333 5.209 -2.889 1.00 0.00 C ATOM 0 H VAL A 16 -9.460 2.476 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.705 4.276 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.723 3.870 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.766 6.112 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.006 4.978 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.198 6.164 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.158 5.825 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.670 5.840 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.098 4.465 -2.666 1.00 0.00 H new ATOM 278 N ALA A 17 -6.496 2.060 -4.263 1.00 0.00 N ATOM 279 CA ALA A 17 -5.317 1.298 -4.671 1.00 0.00 C ATOM 280 C ALA A 17 -5.526 0.681 -6.052 1.00 0.00 C ATOM 281 O ALA A 17 -4.611 0.645 -6.873 1.00 0.00 O ATOM 282 CB ALA A 17 -4.997 0.216 -3.649 1.00 0.00 C ATOM 0 H ALA A 17 -6.891 1.774 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.471 1.983 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.116 -0.340 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.801 0.677 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.844 -0.465 -3.562 1.00 0.00 H new ATOM 288 N LYS A 18 -6.742 0.204 -6.298 1.00 0.00 N ATOM 289 CA LYS A 18 -7.113 -0.345 -7.599 1.00 0.00 C ATOM 290 C LYS A 18 -6.917 0.696 -8.697 1.00 0.00 C ATOM 291 O LYS A 18 -6.330 0.410 -9.745 1.00 0.00 O ATOM 292 CB LYS A 18 -8.571 -0.820 -7.563 1.00 0.00 C ATOM 293 CG LYS A 18 -9.081 -1.383 -8.878 1.00 0.00 C ATOM 294 CD LYS A 18 -10.497 -1.918 -8.734 1.00 0.00 C ATOM 295 CE LYS A 18 -11.037 -2.442 -10.054 1.00 0.00 C ATOM 296 NZ LYS A 18 -10.174 -3.500 -10.634 1.00 0.00 N ATOM 0 H LYS A 18 -7.493 0.187 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.468 -1.195 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.673 -1.583 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.206 0.016 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.059 -0.606 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.420 -2.181 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.510 -2.717 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.149 -1.127 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.041 -2.838 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.123 -1.618 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.669 -3.955 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.288 -3.076 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.959 -4.211 -9.906 1.00 0.00 H new ATOM 310 N SER A 19 -7.392 1.906 -8.440 1.00 0.00 N ATOM 311 CA SER A 19 -7.253 2.997 -9.390 1.00 0.00 C ATOM 312 C SER A 19 -5.794 3.444 -9.478 1.00 0.00 C ATOM 313 O SER A 19 -5.303 3.794 -10.548 1.00 0.00 O ATOM 314 CB SER A 19 -8.148 4.164 -8.972 1.00 0.00 C ATOM 315 OG SER A 19 -9.479 3.724 -8.746 1.00 0.00 O ATOM 0 H SER A 19 -7.878 2.156 -7.579 1.00 0.00 H new ATOM 0 HA SER A 19 -7.563 2.651 -10.376 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.754 4.624 -8.066 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.140 4.930 -9.748 1.00 0.00 H new ATOM 0 HG SER A 19 -9.517 3.213 -7.911 1.00 0.00 H new ATOM 321 N TRP A 20 -5.112 3.412 -8.341 1.00 0.00 N ATOM 322 CA TRP A 20 -3.699 3.756 -8.260 1.00 0.00 C ATOM 323 C TRP A 20 -2.875 2.844 -9.165 1.00 0.00 C ATOM 324 O TRP A 20 -2.057 3.313 -9.955 1.00 0.00 O ATOM 325 CB TRP A 20 -3.230 3.643 -6.805 1.00 0.00 C ATOM 326 CG TRP A 20 -1.772 3.911 -6.601 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.172 5.128 -6.448 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.727 2.935 -6.511 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.180 4.968 -6.270 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.477 3.629 -6.308 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.696 1.538 -6.588 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.701 2.975 -6.176 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.518 0.891 -6.456 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.701 1.609 -6.253 1.00 0.00 C ATOM 0 H TRP A 20 -5.524 3.146 -7.447 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.558 4.782 -8.600 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.804 4.342 -6.196 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.457 2.641 -6.440 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.686 6.078 -6.465 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.854 5.721 -6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.604 0.976 -6.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.616 3.527 -6.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.554 -0.187 -6.511 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.634 1.074 -6.155 1.00 0.00 H new ATOM 345 N PHE A 21 -3.115 1.542 -9.056 1.00 0.00 N ATOM 346 CA PHE A 21 -2.429 0.557 -9.885 1.00 0.00 C ATOM 347 C PHE A 21 -2.698 0.813 -11.366 1.00 0.00 C ATOM 348 O PHE A 21 -1.802 0.685 -12.204 1.00 0.00 O ATOM 349 CB PHE A 21 -2.878 -0.858 -9.498 1.00 0.00 C ATOM 350 CG PHE A 21 -2.318 -1.944 -10.378 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.983 -2.306 -10.299 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.135 -2.609 -11.281 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.474 -3.308 -11.104 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.630 -3.610 -12.087 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.299 -3.961 -11.999 1.00 0.00 C ATOM 0 H PHE A 21 -3.784 1.142 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.356 0.648 -9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.582 -1.052 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.967 -0.904 -9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.333 -1.800 -9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.179 -2.340 -11.354 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.569 -3.580 -11.033 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.277 -4.118 -12.786 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.903 -4.744 -12.628 1.00 0.00 H new ATOM 365 N ALA A 22 -3.927 1.201 -11.677 1.00 0.00 N ATOM 366 CA ALA A 22 -4.330 1.451 -13.056 1.00 0.00 C ATOM 367 C ALA A 22 -3.847 2.817 -13.549 1.00 0.00 C ATOM 368 O ALA A 22 -4.054 3.174 -14.710 1.00 0.00 O ATOM 369 CB ALA A 22 -5.841 1.342 -13.185 1.00 0.00 C ATOM 0 H ALA A 22 -4.666 1.350 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.861 0.694 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.132 1.530 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.160 0.341 -12.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.316 2.077 -12.535 1.00 0.00 H new ATOM 375 N THR A 23 -3.208 3.573 -12.668 1.00 0.00 N ATOM 376 CA THR A 23 -2.684 4.883 -13.027 1.00 0.00 C ATOM 377 C THR A 23 -1.170 4.941 -12.777 1.00 0.00 C ATOM 378 O THR A 23 -0.529 5.985 -12.930 1.00 0.00 O ATOM 379 CB THR A 23 -3.402 5.996 -12.225 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.817 5.759 -12.239 1.00 0.00 O ATOM 381 CG2 THR A 23 -3.130 7.375 -12.810 1.00 0.00 C ATOM 0 H THR A 23 -3.040 3.302 -11.699 1.00 0.00 H new ATOM 0 HA THR A 23 -2.870 5.047 -14.088 1.00 0.00 H new ATOM 0 HB THR A 23 -3.018 5.972 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.082 5.309 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.651 8.130 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.059 7.574 -12.789 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.486 7.410 -13.840 1.00 0.00 H new ATOM 389 N LYS A 24 -0.592 3.808 -12.403 1.00 0.00 N ATOM 390 CA LYS A 24 0.833 3.753 -12.130 1.00 0.00 C ATOM 391 C LYS A 24 1.575 3.172 -13.324 1.00 0.00 C ATOM 392 O LYS A 24 1.224 2.099 -13.821 1.00 0.00 O ATOM 393 CB LYS A 24 1.118 2.931 -10.871 1.00 0.00 C ATOM 394 CG LYS A 24 2.172 3.567 -9.979 1.00 0.00 C ATOM 395 CD LYS A 24 1.691 4.908 -9.443 1.00 0.00 C ATOM 396 CE LYS A 24 2.798 5.673 -8.734 1.00 0.00 C ATOM 397 NZ LYS A 24 3.920 5.999 -9.652 1.00 0.00 N ATOM 0 H LYS A 24 -1.085 2.923 -12.283 1.00 0.00 H new ATOM 0 HA LYS A 24 1.187 4.769 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.194 2.810 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.448 1.933 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.402 2.900 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.095 3.705 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.306 5.509 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.864 4.746 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.392 6.594 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.172 5.080 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.553 6.686 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.451 5.132 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.542 6.407 -10.531 1.00 0.00 H new ATOM 411 N THR A 25 2.583 3.890 -13.790 1.00 0.00 N ATOM 412 CA THR A 25 3.334 3.488 -14.970 1.00 0.00 C ATOM 413 C THR A 25 4.840 3.521 -14.713 1.00 0.00 C ATOM 414 O THR A 25 5.643 3.463 -15.644 1.00 0.00 O ATOM 415 CB THR A 25 2.993 4.411 -16.154 1.00 0.00 C ATOM 416 OG1 THR A 25 2.910 5.772 -15.702 1.00 0.00 O ATOM 417 CG2 THR A 25 1.678 4.004 -16.803 1.00 0.00 C ATOM 0 H THR A 25 2.903 4.761 -13.366 1.00 0.00 H new ATOM 0 HA THR A 25 3.051 2.463 -15.210 1.00 0.00 H new ATOM 0 HB THR A 25 3.785 4.320 -16.897 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.695 6.356 -16.459 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.461 4.672 -17.636 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.755 2.980 -17.169 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.875 4.067 -16.069 1.00 0.00 H new ATOM 425 N THR A 26 5.217 3.585 -13.444 1.00 0.00 N ATOM 426 CA THR A 26 6.613 3.762 -13.065 1.00 0.00 C ATOM 427 C THR A 26 7.365 2.428 -12.996 1.00 0.00 C ATOM 428 O THR A 26 8.597 2.395 -13.036 1.00 0.00 O ATOM 429 CB THR A 26 6.702 4.469 -11.701 1.00 0.00 C ATOM 430 OG1 THR A 26 5.771 5.559 -11.668 1.00 0.00 O ATOM 431 CG2 THR A 26 8.106 4.989 -11.438 1.00 0.00 C ATOM 0 H THR A 26 4.573 3.517 -12.656 1.00 0.00 H new ATOM 0 HA THR A 26 7.083 4.373 -13.836 1.00 0.00 H new ATOM 0 HB THR A 26 6.458 3.745 -10.924 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.114 6.265 -11.081 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.135 5.483 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.809 4.156 -11.443 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.382 5.701 -12.216 1.00 0.00 H new ATOM 439 N TRP A 27 6.630 1.331 -12.892 1.00 0.00 N ATOM 440 CA TRP A 27 7.254 0.022 -12.771 1.00 0.00 C ATOM 441 C TRP A 27 6.959 -0.854 -13.980 1.00 0.00 C ATOM 442 O TRP A 27 6.039 -0.578 -14.755 1.00 0.00 O ATOM 443 CB TRP A 27 6.793 -0.679 -11.490 1.00 0.00 C ATOM 444 CG TRP A 27 7.404 -0.108 -10.248 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.731 0.108 -10.024 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.724 0.297 -9.049 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.921 0.635 -8.772 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.706 0.757 -8.151 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.384 0.319 -8.649 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.389 1.232 -6.879 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.072 0.790 -7.387 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.070 1.241 -6.516 1.00 0.00 C ATOM 0 H TRP A 27 5.610 1.320 -12.889 1.00 0.00 H new ATOM 0 HA TRP A 27 8.332 0.178 -12.723 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.708 -0.610 -11.417 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.041 -1.738 -11.555 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.519 -0.105 -10.731 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.821 0.894 -8.369 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.606 -0.026 -9.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.157 1.580 -6.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.040 0.810 -7.068 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.793 1.604 -5.537 1.00 0.00 H new ATOM 463 N SER A 28 7.762 -1.899 -14.143 1.00 0.00 N ATOM 464 CA SER A 28 7.541 -2.892 -15.182 1.00 0.00 C ATOM 465 C SER A 28 6.228 -3.615 -14.910 1.00 0.00 C ATOM 466 O SER A 28 5.855 -3.799 -13.749 1.00 0.00 O ATOM 467 CB SER A 28 8.699 -3.893 -15.203 1.00 0.00 C ATOM 468 OG SER A 28 9.955 -3.233 -15.276 1.00 0.00 O ATOM 0 H SER A 28 8.580 -2.079 -13.561 1.00 0.00 H new ATOM 0 HA SER A 28 7.490 -2.400 -16.153 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.663 -4.512 -14.306 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.588 -4.562 -16.056 1.00 0.00 H new ATOM 0 HG SER A 28 10.674 -3.899 -15.286 1.00 0.00 H new ATOM 474 N GLU A 29 5.535 -4.029 -15.968 1.00 0.00 N ATOM 475 CA GLU A 29 4.220 -4.639 -15.819 1.00 0.00 C ATOM 476 C GLU A 29 4.266 -5.857 -14.903 1.00 0.00 C ATOM 477 O GLU A 29 3.372 -6.052 -14.088 1.00 0.00 O ATOM 478 CB GLU A 29 3.638 -5.032 -17.175 1.00 0.00 C ATOM 479 CG GLU A 29 3.419 -3.857 -18.110 1.00 0.00 C ATOM 480 CD GLU A 29 2.569 -4.224 -19.305 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.996 -5.088 -20.100 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.465 -3.656 -19.453 1.00 0.00 O ATOM 0 H GLU A 29 5.861 -3.953 -16.931 1.00 0.00 H new ATOM 0 HA GLU A 29 3.573 -3.891 -15.362 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.308 -5.746 -17.654 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.687 -5.542 -17.018 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.941 -3.045 -17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.384 -3.485 -18.454 1.00 0.00 H new ATOM 489 N ASP A 30 5.319 -6.659 -15.018 1.00 0.00 N ATOM 490 CA ASP A 30 5.444 -7.862 -14.199 1.00 0.00 C ATOM 491 C ASP A 30 5.667 -7.504 -12.735 1.00 0.00 C ATOM 492 O ASP A 30 4.983 -8.021 -11.850 1.00 0.00 O ATOM 493 CB ASP A 30 6.587 -8.747 -14.693 1.00 0.00 C ATOM 494 CG ASP A 30 6.652 -10.068 -13.951 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.977 -11.026 -14.386 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.376 -10.160 -12.937 1.00 0.00 O ATOM 0 H ASP A 30 6.093 -6.501 -15.664 1.00 0.00 H new ATOM 0 HA ASP A 30 4.509 -8.416 -14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.462 -8.937 -15.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.532 -8.218 -14.572 1.00 0.00 H new ATOM 501 N TYR A 31 6.616 -6.608 -12.480 1.00 0.00 N ATOM 502 CA TYR A 31 6.921 -6.197 -11.116 1.00 0.00 C ATOM 503 C TYR A 31 5.730 -5.484 -10.489 1.00 0.00 C ATOM 504 O TYR A 31 5.402 -5.715 -9.331 1.00 0.00 O ATOM 505 CB TYR A 31 8.156 -5.289 -11.074 1.00 0.00 C ATOM 506 CG TYR A 31 8.535 -4.847 -9.671 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.149 -5.726 -8.781 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.274 -3.552 -9.234 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.491 -5.323 -7.501 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.615 -3.145 -7.956 1.00 0.00 C ATOM 511 CZ TYR A 31 9.221 -4.035 -7.095 1.00 0.00 C ATOM 512 OH TYR A 31 9.561 -3.634 -5.820 1.00 0.00 O ATOM 0 H TYR A 31 7.184 -6.156 -13.197 1.00 0.00 H new ATOM 0 HA TYR A 31 7.136 -7.097 -10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.999 -5.815 -11.521 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.970 -4.407 -11.687 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.362 -6.737 -9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.797 -2.852 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.968 -6.016 -6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.407 -2.135 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 31 8.781 -3.716 -5.232 1.00 0.00 H new ATOM 522 N GLN A 32 5.073 -4.632 -11.263 1.00 0.00 N ATOM 523 CA GLN A 32 3.936 -3.877 -10.761 1.00 0.00 C ATOM 524 C GLN A 32 2.747 -4.805 -10.525 1.00 0.00 C ATOM 525 O GLN A 32 1.962 -4.604 -9.600 1.00 0.00 O ATOM 526 CB GLN A 32 3.559 -2.766 -11.735 1.00 0.00 C ATOM 527 CG GLN A 32 2.995 -1.540 -11.045 1.00 0.00 C ATOM 528 CD GLN A 32 2.583 -0.460 -12.017 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.384 0.394 -12.403 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.323 -0.483 -12.406 1.00 0.00 N ATOM 0 H GLN A 32 5.308 -4.447 -12.238 1.00 0.00 H new ATOM 0 HA GLN A 32 4.216 -3.421 -9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.440 -2.480 -12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.825 -3.147 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.133 -1.831 -10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.741 -1.140 -10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.696 -1.209 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.976 0.225 -13.053 1.00 0.00 H new ATOM 539 N ARG A 33 2.624 -5.824 -11.368 1.00 0.00 N ATOM 540 CA ARG A 33 1.621 -6.868 -11.178 1.00 0.00 C ATOM 541 C ARG A 33 1.891 -7.606 -9.871 1.00 0.00 C ATOM 542 O ARG A 33 0.967 -7.965 -9.136 1.00 0.00 O ATOM 543 CB ARG A 33 1.654 -7.835 -12.366 1.00 0.00 C ATOM 544 CG ARG A 33 0.696 -9.010 -12.267 1.00 0.00 C ATOM 545 CD ARG A 33 0.728 -9.817 -13.553 1.00 0.00 C ATOM 546 NE ARG A 33 -0.064 -11.042 -13.478 1.00 0.00 N ATOM 547 CZ ARG A 33 -0.882 -11.452 -14.445 1.00 0.00 C ATOM 548 NH1 ARG A 33 -1.138 -10.659 -15.481 1.00 0.00 N ATOM 549 NH2 ARG A 33 -1.463 -12.641 -14.361 1.00 0.00 N ATOM 0 H ARG A 33 3.209 -5.950 -12.194 1.00 0.00 H new ATOM 0 HA ARG A 33 0.629 -6.420 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.428 -7.277 -13.275 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.668 -8.221 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.971 -9.644 -11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.316 -8.650 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.357 -9.200 -14.372 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.761 -10.073 -13.789 1.00 0.00 H new ATOM 0 HE ARG A 33 0.014 -11.615 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.708 -9.736 -15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.765 -10.974 -16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.283 -13.241 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.090 -12.956 -15.102 1.00 0.00 H new ATOM 563 N SER A 34 3.170 -7.811 -9.586 1.00 0.00 N ATOM 564 CA SER A 34 3.597 -8.394 -8.326 1.00 0.00 C ATOM 565 C SER A 34 3.267 -7.442 -7.175 1.00 0.00 C ATOM 566 O SER A 34 2.783 -7.869 -6.129 1.00 0.00 O ATOM 567 CB SER A 34 5.099 -8.694 -8.375 1.00 0.00 C ATOM 568 OG SER A 34 5.539 -9.367 -7.209 1.00 0.00 O ATOM 0 H SER A 34 3.935 -7.579 -10.219 1.00 0.00 H new ATOM 0 HA SER A 34 3.065 -9.331 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.320 -9.303 -9.251 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.652 -7.762 -8.487 1.00 0.00 H new ATOM 0 HG SER A 34 6.501 -9.543 -7.276 1.00 0.00 H new ATOM 574 N VAL A 35 3.511 -6.148 -7.393 1.00 0.00 N ATOM 575 CA VAL A 35 3.156 -5.110 -6.424 1.00 0.00 C ATOM 576 C VAL A 35 1.682 -5.209 -6.051 1.00 0.00 C ATOM 577 O VAL A 35 1.327 -5.239 -4.871 1.00 0.00 O ATOM 578 CB VAL A 35 3.442 -3.688 -6.975 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.929 -2.620 -6.016 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.930 -3.500 -7.222 1.00 0.00 C ATOM 0 H VAL A 35 3.956 -5.793 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 35 3.774 -5.273 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 35 2.914 -3.582 -7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.141 -1.632 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.853 -2.735 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.425 -2.728 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.111 -2.497 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.474 -3.632 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.274 -4.236 -7.949 1.00 0.00 H new ATOM 590 N TRP A 36 0.834 -5.276 -7.069 1.00 0.00 N ATOM 591 CA TRP A 36 -0.602 -5.383 -6.872 1.00 0.00 C ATOM 592 C TRP A 36 -0.947 -6.635 -6.072 1.00 0.00 C ATOM 593 O TRP A 36 -1.684 -6.571 -5.087 1.00 0.00 O ATOM 594 CB TRP A 36 -1.315 -5.405 -8.227 1.00 0.00 C ATOM 595 CG TRP A 36 -2.801 -5.509 -8.111 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.590 -6.527 -8.557 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.677 -4.561 -7.497 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.904 -6.270 -8.258 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.983 -5.069 -7.606 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.482 -3.332 -6.863 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -6.090 -4.390 -7.107 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.581 -2.660 -6.369 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.870 -3.192 -6.492 1.00 0.00 C ATOM 0 H TRP A 36 1.121 -5.258 -8.047 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.940 -4.515 -6.306 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.063 -4.498 -8.777 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.943 -6.246 -8.812 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.233 -7.407 -9.071 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.693 -6.875 -8.485 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.491 -2.916 -6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.086 -4.796 -7.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.445 -1.707 -5.879 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.709 -2.642 -6.091 1.00 0.00 H new ATOM 614 N THR A 37 -0.385 -7.766 -6.482 1.00 0.00 N ATOM 615 CA THR A 37 -0.628 -9.033 -5.806 1.00 0.00 C ATOM 616 C THR A 37 -0.148 -8.971 -4.353 1.00 0.00 C ATOM 617 O THR A 37 -0.797 -9.490 -3.441 1.00 0.00 O ATOM 618 CB THR A 37 0.083 -10.190 -6.538 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.218 -10.135 -7.942 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.346 -11.539 -5.979 1.00 0.00 C ATOM 0 H THR A 37 0.244 -7.831 -7.282 1.00 0.00 H new ATOM 0 HA THR A 37 -1.702 -9.216 -5.818 1.00 0.00 H new ATOM 0 HB THR A 37 1.157 -10.079 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.316 -9.429 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.171 -12.336 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.094 -11.591 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.422 -11.658 -6.102 1.00 0.00 H new ATOM 628 N ARG A 38 0.986 -8.314 -4.148 1.00 0.00 N ATOM 629 CA ARG A 38 1.555 -8.128 -2.820 1.00 0.00 C ATOM 630 C ARG A 38 0.602 -7.324 -1.937 1.00 0.00 C ATOM 631 O ARG A 38 0.408 -7.645 -0.763 1.00 0.00 O ATOM 632 CB ARG A 38 2.913 -7.433 -2.940 1.00 0.00 C ATOM 633 CG ARG A 38 3.635 -7.223 -1.621 1.00 0.00 C ATOM 634 CD ARG A 38 5.104 -6.913 -1.852 1.00 0.00 C ATOM 635 NE ARG A 38 5.806 -8.055 -2.433 1.00 0.00 N ATOM 636 CZ ARG A 38 6.793 -7.967 -3.325 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.213 -6.784 -3.763 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.360 -9.078 -3.777 1.00 0.00 N ATOM 0 H ARG A 38 1.537 -7.895 -4.897 1.00 0.00 H new ATOM 0 HA ARG A 38 1.700 -9.101 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.551 -8.023 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.769 -6.464 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.168 -6.405 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.540 -8.116 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.196 -6.052 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.572 -6.639 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 38 5.520 -8.988 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.779 -5.928 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.969 -6.732 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.040 -9.987 -3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.116 -9.023 -4.460 1.00 0.00 H new ATOM 652 N LEU A 39 -0.010 -6.299 -2.515 1.00 0.00 N ATOM 653 CA LEU A 39 -0.992 -5.490 -1.802 1.00 0.00 C ATOM 654 C LEU A 39 -2.196 -6.342 -1.402 1.00 0.00 C ATOM 655 O LEU A 39 -2.668 -6.270 -0.265 1.00 0.00 O ATOM 656 CB LEU A 39 -1.446 -4.312 -2.668 1.00 0.00 C ATOM 657 CG LEU A 39 -0.349 -3.309 -3.035 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.891 -2.249 -3.979 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.226 -2.661 -1.784 1.00 0.00 C ATOM 0 H LEU A 39 0.156 -6.007 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.524 -5.099 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.879 -4.704 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.240 -3.781 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 39 0.451 -3.848 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.098 -1.545 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.255 -2.725 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.710 -1.716 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.004 -1.952 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.566 -2.137 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.652 -3.430 -1.139 1.00 0.00 H new ATOM 671 N GLU A 40 -2.667 -7.162 -2.337 1.00 0.00 N ATOM 672 CA GLU A 40 -3.823 -8.028 -2.104 1.00 0.00 C ATOM 673 C GLU A 40 -3.536 -9.066 -1.017 1.00 0.00 C ATOM 674 O GLU A 40 -4.452 -9.552 -0.354 1.00 0.00 O ATOM 675 CB GLU A 40 -4.220 -8.763 -3.386 1.00 0.00 C ATOM 676 CG GLU A 40 -4.553 -7.852 -4.554 1.00 0.00 C ATOM 677 CD GLU A 40 -5.059 -8.627 -5.755 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.258 -9.343 -6.394 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.271 -8.547 -6.050 1.00 0.00 O ATOM 0 H GLU A 40 -2.264 -7.246 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.640 -7.384 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.405 -9.425 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.083 -9.394 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.308 -7.129 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.665 -7.286 -4.836 1.00 0.00 H new ATOM 686 N THR A 41 -2.268 -9.400 -0.845 1.00 0.00 N ATOM 687 CA THR A 41 -1.875 -10.468 0.065 1.00 0.00 C ATOM 688 C THR A 41 -1.683 -9.964 1.502 1.00 0.00 C ATOM 689 O THR A 41 -1.963 -10.684 2.462 1.00 0.00 O ATOM 690 CB THR A 41 -0.580 -11.143 -0.427 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.748 -11.580 -1.783 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.209 -12.335 0.445 1.00 0.00 C ATOM 0 H THR A 41 -1.490 -8.947 -1.324 1.00 0.00 H new ATOM 0 HA THR A 41 -2.687 -11.195 0.074 1.00 0.00 H new ATOM 0 HB THR A 41 0.225 -10.411 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.782 -10.801 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.709 -12.788 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.056 -12.001 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.014 -13.070 0.418 1.00 0.00 H new ATOM 700 N TYR A 42 -1.214 -8.731 1.650 1.00 0.00 N ATOM 701 CA TYR A 42 -0.893 -8.213 2.979 1.00 0.00 C ATOM 702 C TYR A 42 -1.875 -7.134 3.439 1.00 0.00 C ATOM 703 O TYR A 42 -2.440 -7.228 4.526 1.00 0.00 O ATOM 704 CB TYR A 42 0.537 -7.662 2.999 1.00 0.00 C ATOM 705 CG TYR A 42 1.605 -8.716 2.768 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.043 -9.526 3.808 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.176 -8.890 1.513 1.00 0.00 C ATOM 708 CE1 TYR A 42 3.017 -10.482 3.602 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.152 -9.847 1.302 1.00 0.00 C ATOM 710 CZ TYR A 42 3.569 -10.640 2.350 1.00 0.00 C ATOM 711 OH TYR A 42 4.538 -11.594 2.145 1.00 0.00 O ATOM 0 H TYR A 42 -1.049 -8.079 0.883 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.977 -9.046 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.630 -6.891 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.717 -7.181 3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.615 -9.406 4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.853 -8.269 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.346 -11.105 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.586 -9.973 0.321 1.00 0.00 H new ATOM 0 HH TYR A 42 4.821 -11.576 1.207 1.00 0.00 H new ATOM 721 N LEU A 43 -2.088 -6.126 2.608 1.00 0.00 N ATOM 722 CA LEU A 43 -2.861 -4.949 3.009 1.00 0.00 C ATOM 723 C LEU A 43 -4.361 -5.141 2.808 1.00 0.00 C ATOM 724 O LEU A 43 -5.161 -4.794 3.676 1.00 0.00 O ATOM 725 CB LEU A 43 -2.376 -3.719 2.240 1.00 0.00 C ATOM 726 CG LEU A 43 -1.307 -2.885 2.951 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.131 -3.747 3.385 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.832 -1.752 2.056 1.00 0.00 C ATOM 0 H LEU A 43 -1.739 -6.094 1.650 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.699 -4.801 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.980 -4.045 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.234 -3.079 2.031 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.759 -2.458 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.610 -3.125 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.480 -4.520 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.320 -4.215 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.072 -1.170 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.408 -2.165 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.675 -1.108 1.806 1.00 0.00 H new ATOM 740 N PHE A 44 -4.731 -5.692 1.663 1.00 0.00 N ATOM 741 CA PHE A 44 -6.143 -5.909 1.324 1.00 0.00 C ATOM 742 C PHE A 44 -6.920 -6.693 2.396 1.00 0.00 C ATOM 743 O PHE A 44 -8.048 -6.323 2.708 1.00 0.00 O ATOM 744 CB PHE A 44 -6.274 -6.588 -0.040 1.00 0.00 C ATOM 745 CG PHE A 44 -6.225 -5.621 -1.188 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.282 -4.604 -1.221 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.133 -5.719 -2.229 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.243 -3.709 -2.269 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.100 -4.826 -3.280 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.152 -3.820 -3.301 1.00 0.00 C ATOM 0 H PHE A 44 -4.076 -6.001 0.945 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.599 -4.920 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.473 -7.318 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.214 -7.138 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.569 -4.512 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.875 -6.503 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.503 -2.923 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.814 -4.913 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.123 -3.122 -4.124 1.00 0.00 H new ATOM 760 N PRO A 45 -6.361 -7.777 2.977 1.00 0.00 N ATOM 761 CA PRO A 45 -7.039 -8.518 4.053 1.00 0.00 C ATOM 762 C PRO A 45 -7.372 -7.657 5.279 1.00 0.00 C ATOM 763 O PRO A 45 -8.159 -8.065 6.133 1.00 0.00 O ATOM 764 CB PRO A 45 -6.030 -9.603 4.438 1.00 0.00 C ATOM 765 CG PRO A 45 -5.171 -9.767 3.235 1.00 0.00 C ATOM 766 CD PRO A 45 -5.077 -8.405 2.617 1.00 0.00 C ATOM 0 HA PRO A 45 -8.002 -8.898 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.442 -9.306 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.531 -10.536 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.185 -10.143 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.605 -10.484 2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.230 -7.843 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.947 -8.462 1.536 1.00 0.00 H new ATOM 774 N ASP A 46 -6.782 -6.468 5.367 1.00 0.00 N ATOM 775 CA ASP A 46 -6.997 -5.609 6.527 1.00 0.00 C ATOM 776 C ASP A 46 -7.752 -4.333 6.148 1.00 0.00 C ATOM 777 O ASP A 46 -8.936 -4.190 6.457 1.00 0.00 O ATOM 778 CB ASP A 46 -5.665 -5.254 7.186 1.00 0.00 C ATOM 779 CG ASP A 46 -5.844 -4.752 8.601 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.880 -5.588 9.528 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.952 -3.526 8.799 1.00 0.00 O ATOM 0 H ASP A 46 -6.159 -6.081 4.658 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.609 -6.164 7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.019 -6.132 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.160 -4.492 6.593 1.00 0.00 H new ATOM 786 N ILE A 47 -7.068 -3.411 5.470 1.00 0.00 N ATOM 787 CA ILE A 47 -7.674 -2.144 5.064 1.00 0.00 C ATOM 788 C ILE A 47 -8.338 -2.243 3.691 1.00 0.00 C ATOM 789 O ILE A 47 -8.889 -1.261 3.190 1.00 0.00 O ATOM 790 CB ILE A 47 -6.651 -0.975 5.030 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.400 -1.336 4.210 1.00 0.00 C ATOM 792 CG2 ILE A 47 -6.261 -0.551 6.437 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.301 -2.019 5.006 1.00 0.00 C ATOM 0 H ILE A 47 -6.093 -3.519 5.190 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.428 -1.933 5.823 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.139 -0.134 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.695 -1.989 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.997 -0.426 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.544 0.268 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.149 -0.222 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.810 -1.395 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.458 -2.237 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.973 -1.362 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.682 -2.949 5.429 1.00 0.00 H new ATOM 805 N GLY A 48 -8.311 -3.427 3.094 1.00 0.00 N ATOM 806 CA GLY A 48 -8.852 -3.602 1.755 1.00 0.00 C ATOM 807 C GLY A 48 -10.364 -3.749 1.741 1.00 0.00 C ATOM 808 O GLY A 48 -10.893 -4.727 1.212 1.00 0.00 O ATOM 0 H GLY A 48 -7.924 -4.273 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.570 -2.747 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.402 -4.484 1.300 1.00 0.00 H new ATOM 812 N ASN A 49 -11.045 -2.760 2.315 1.00 0.00 N ATOM 813 CA ASN A 49 -12.509 -2.723 2.387 1.00 0.00 C ATOM 814 C ASN A 49 -12.922 -1.543 3.250 1.00 0.00 C ATOM 815 O ASN A 49 -13.953 -0.909 3.027 1.00 0.00 O ATOM 816 CB ASN A 49 -13.080 -4.016 2.991 1.00 0.00 C ATOM 817 CG ASN A 49 -14.598 -4.075 2.924 1.00 0.00 C ATOM 818 OD1 ASN A 49 -15.168 -4.553 1.944 1.00 0.00 O ATOM 819 ND2 ASN A 49 -15.268 -3.603 3.966 1.00 0.00 N ATOM 0 H ASN A 49 -10.595 -1.953 2.748 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.903 -2.624 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.664 -4.874 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.763 -4.097 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.288 -3.630 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.764 -3.213 4.763 1.00 0.00 H new ATOM 826 N LYS A 50 -12.083 -1.260 4.234 1.00 0.00 N ATOM 827 CA LYS A 50 -12.308 -0.178 5.175 1.00 0.00 C ATOM 828 C LYS A 50 -12.158 1.173 4.477 1.00 0.00 C ATOM 829 O LYS A 50 -11.341 1.317 3.561 1.00 0.00 O ATOM 830 CB LYS A 50 -11.291 -0.302 6.316 1.00 0.00 C ATOM 831 CG LYS A 50 -11.647 0.468 7.575 1.00 0.00 C ATOM 832 CD LYS A 50 -12.865 -0.121 8.264 1.00 0.00 C ATOM 833 CE LYS A 50 -12.652 -0.235 9.764 1.00 0.00 C ATOM 834 NZ LYS A 50 -12.207 1.047 10.367 1.00 0.00 N ATOM 0 H LYS A 50 -11.221 -1.779 4.402 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.320 -0.242 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.180 -1.356 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.321 0.044 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.800 0.457 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.840 1.511 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.735 0.504 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.079 -1.106 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.580 -0.554 10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.909 -1.007 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.433 0.865 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.873 1.686 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.003 1.489 10.869 1.00 0.00 H new ATOM 848 N ASP A 51 -12.959 2.147 4.895 1.00 0.00 N ATOM 849 CA ASP A 51 -12.836 3.508 4.384 1.00 0.00 C ATOM 850 C ASP A 51 -11.488 4.072 4.814 1.00 0.00 C ATOM 851 O ASP A 51 -11.127 3.991 5.987 1.00 0.00 O ATOM 852 CB ASP A 51 -13.975 4.386 4.921 1.00 0.00 C ATOM 853 CG ASP A 51 -14.062 5.749 4.247 1.00 0.00 C ATOM 854 OD1 ASP A 51 -13.015 6.383 4.014 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.194 6.200 3.962 1.00 0.00 O ATOM 0 H ASP A 51 -13.699 2.020 5.585 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.901 3.498 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.921 3.862 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.839 4.528 5.993 1.00 0.00 H new ATOM 860 N ILE A 52 -10.743 4.630 3.874 1.00 0.00 N ATOM 861 CA ILE A 52 -9.401 5.104 4.166 1.00 0.00 C ATOM 862 C ILE A 52 -9.431 6.397 4.982 1.00 0.00 C ATOM 863 O ILE A 52 -8.507 6.689 5.738 1.00 0.00 O ATOM 864 CB ILE A 52 -8.566 5.282 2.879 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.176 5.819 3.217 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.277 6.202 1.900 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.147 5.577 2.143 1.00 0.00 C ATOM 0 H ILE A 52 -11.042 4.765 2.908 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.915 4.338 4.770 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.452 4.308 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.247 6.891 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.835 5.357 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.672 6.314 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.244 5.774 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.426 7.179 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.188 5.987 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.044 4.505 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.463 6.063 1.220 1.00 0.00 H new ATOM 879 N ALA A 53 -10.522 7.142 4.869 1.00 0.00 N ATOM 880 CA ALA A 53 -10.700 8.343 5.672 1.00 0.00 C ATOM 881 C ALA A 53 -11.185 7.962 7.065 1.00 0.00 C ATOM 882 O ALA A 53 -11.338 8.810 7.945 1.00 0.00 O ATOM 883 CB ALA A 53 -11.676 9.296 5.003 1.00 0.00 C ATOM 0 H ALA A 53 -11.293 6.937 4.233 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.742 8.855 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.795 10.187 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.293 9.581 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.642 8.805 4.886 1.00 0.00 H new ATOM 889 N GLU A 54 -11.432 6.672 7.242 1.00 0.00 N ATOM 890 CA GLU A 54 -11.853 6.124 8.521 1.00 0.00 C ATOM 891 C GLU A 54 -10.694 5.327 9.129 1.00 0.00 C ATOM 892 O GLU A 54 -10.825 4.691 10.175 1.00 0.00 O ATOM 893 CB GLU A 54 -13.088 5.241 8.307 1.00 0.00 C ATOM 894 CG GLU A 54 -13.924 5.003 9.555 1.00 0.00 C ATOM 895 CD GLU A 54 -13.893 3.561 10.014 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.259 2.665 9.223 1.00 0.00 O ATOM 897 OE2 GLU A 54 -13.492 3.308 11.163 1.00 0.00 O ATOM 0 H GLU A 54 -11.346 5.976 6.501 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.120 6.923 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.719 5.701 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.765 4.277 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.560 5.643 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.955 5.295 9.357 1.00 0.00 H new ATOM 904 N LEU A 55 -9.552 5.378 8.451 1.00 0.00 N ATOM 905 CA LEU A 55 -8.344 4.707 8.910 1.00 0.00 C ATOM 906 C LEU A 55 -7.447 5.684 9.654 1.00 0.00 C ATOM 907 O LEU A 55 -7.437 6.881 9.359 1.00 0.00 O ATOM 908 CB LEU A 55 -7.566 4.117 7.728 1.00 0.00 C ATOM 909 CG LEU A 55 -8.257 2.980 6.973 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.470 2.628 5.721 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.401 1.756 7.866 1.00 0.00 C ATOM 0 H LEU A 55 -9.439 5.883 7.572 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.644 3.901 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.353 4.919 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.607 3.753 8.095 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.253 3.313 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.971 1.818 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.409 3.502 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.465 2.312 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.895 0.958 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.414 1.420 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.997 2.013 8.742 1.00 0.00 H new ATOM 923 N ASP A 56 -6.706 5.176 10.620 1.00 0.00 N ATOM 924 CA ASP A 56 -5.739 5.981 11.347 1.00 0.00 C ATOM 925 C ASP A 56 -4.338 5.413 11.138 1.00 0.00 C ATOM 926 O ASP A 56 -4.188 4.301 10.619 1.00 0.00 O ATOM 927 CB ASP A 56 -6.093 6.010 12.841 1.00 0.00 C ATOM 928 CG ASP A 56 -5.122 6.836 13.663 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.179 8.081 13.585 1.00 0.00 O ATOM 930 OD2 ASP A 56 -4.279 6.240 14.368 1.00 0.00 O ATOM 0 H ASP A 56 -6.755 4.203 10.922 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.764 7.003 10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.098 6.413 12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.110 4.990 13.225 1.00 0.00 H new ATOM 935 N THR A 57 -3.322 6.178 11.526 1.00 0.00 N ATOM 936 CA THR A 57 -1.942 5.721 11.471 1.00 0.00 C ATOM 937 C THR A 57 -1.804 4.351 12.132 1.00 0.00 C ATOM 938 O THR A 57 -1.098 3.477 11.629 1.00 0.00 O ATOM 939 CB THR A 57 -1.003 6.717 12.178 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.263 8.049 11.716 1.00 0.00 O ATOM 941 CG2 THR A 57 0.456 6.363 11.925 1.00 0.00 C ATOM 0 H THR A 57 -3.433 7.126 11.885 1.00 0.00 H new ATOM 0 HA THR A 57 -1.661 5.649 10.420 1.00 0.00 H new ATOM 0 HB THR A 57 -1.192 6.660 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.663 8.676 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.098 7.081 12.435 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.659 5.362 12.305 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.657 6.393 10.854 1.00 0.00 H new ATOM 949 N GLY A 58 -2.510 4.168 13.246 1.00 0.00 N ATOM 950 CA GLY A 58 -2.492 2.894 13.936 1.00 0.00 C ATOM 951 C GLY A 58 -2.982 1.762 13.054 1.00 0.00 C ATOM 952 O GLY A 58 -2.338 0.718 12.967 1.00 0.00 O ATOM 0 H GLY A 58 -3.094 4.882 13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.478 2.678 14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.117 2.956 14.827 1.00 0.00 H new ATOM 956 N ASP A 59 -4.100 1.993 12.365 1.00 0.00 N ATOM 957 CA ASP A 59 -4.711 0.978 11.503 1.00 0.00 C ATOM 958 C ASP A 59 -3.765 0.540 10.398 1.00 0.00 C ATOM 959 O ASP A 59 -3.816 -0.601 9.955 1.00 0.00 O ATOM 960 CB ASP A 59 -6.001 1.499 10.864 1.00 0.00 C ATOM 961 CG ASP A 59 -7.114 1.723 11.862 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.805 0.744 12.219 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.310 2.881 12.280 1.00 0.00 O ATOM 0 H ASP A 59 -4.604 2.879 12.387 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.937 0.124 12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.790 2.436 10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.337 0.788 10.109 1.00 0.00 H new ATOM 968 N LEU A 60 -2.915 1.453 9.948 1.00 0.00 N ATOM 969 CA LEU A 60 -1.979 1.161 8.865 1.00 0.00 C ATOM 970 C LEU A 60 -0.710 0.485 9.386 1.00 0.00 C ATOM 971 O LEU A 60 -0.157 -0.423 8.745 1.00 0.00 O ATOM 972 CB LEU A 60 -1.620 2.454 8.130 1.00 0.00 C ATOM 973 CG LEU A 60 -2.805 3.182 7.490 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.372 4.537 6.953 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.412 2.342 6.377 1.00 0.00 C ATOM 0 H LEU A 60 -2.852 2.403 10.315 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.464 0.470 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.133 3.131 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.892 2.223 7.353 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.563 3.339 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.227 5.040 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.983 5.145 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.594 4.399 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.253 2.877 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.659 2.153 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.760 1.393 6.786 1.00 0.00 H new ATOM 987 N LEU A 61 -0.258 0.914 10.559 1.00 0.00 N ATOM 988 CA LEU A 61 0.977 0.398 11.133 1.00 0.00 C ATOM 989 C LEU A 61 0.854 -1.076 11.493 1.00 0.00 C ATOM 990 O LEU A 61 1.837 -1.806 11.437 1.00 0.00 O ATOM 991 CB LEU A 61 1.390 1.201 12.368 1.00 0.00 C ATOM 992 CG LEU A 61 1.882 2.622 12.092 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.348 3.279 13.380 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.003 2.610 11.061 1.00 0.00 C ATOM 0 H LEU A 61 -0.728 1.617 11.130 1.00 0.00 H new ATOM 0 HA LEU A 61 1.750 0.502 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.539 1.255 13.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.178 0.656 12.888 1.00 0.00 H new ATOM 0 HG LEU A 61 1.053 3.203 11.688 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.695 4.290 13.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.520 3.321 14.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.164 2.698 13.810 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.340 3.630 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.836 2.015 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.637 2.176 10.130 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.348 -1.511 11.855 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.567 -2.904 12.245 1.00 0.00 C ATOM 1008 C VAL A 62 -0.232 -3.876 11.098 1.00 0.00 C ATOM 1009 O VAL A 62 0.591 -4.770 11.283 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.007 -3.154 12.748 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.158 -4.578 13.256 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.377 -2.165 13.839 1.00 0.00 C ATOM 0 H VAL A 62 -1.183 -0.925 11.887 1.00 0.00 H new ATOM 0 HA VAL A 62 0.115 -3.096 13.073 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.687 -3.011 11.908 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.179 -4.733 13.605 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.940 -5.277 12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.463 -4.746 14.079 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.395 -2.360 14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.689 -2.274 14.677 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.314 -1.150 13.447 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.851 -3.727 9.902 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.529 -4.570 8.743 1.00 0.00 C ATOM 1024 C PRO A 63 0.949 -4.499 8.370 1.00 0.00 C ATOM 1025 O PRO A 63 1.566 -5.520 8.066 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.393 -3.998 7.615 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.504 -3.295 8.308 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.918 -2.765 9.584 1.00 0.00 C ATOM 0 HA PRO A 63 -0.725 -5.623 8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.822 -3.314 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.769 -4.788 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.899 -2.486 7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.332 -3.975 8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.523 -1.757 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.664 -2.717 10.378 1.00 0.00 H new ATOM 1036 N ILE A 64 1.518 -3.293 8.398 1.00 0.00 N ATOM 1037 CA ILE A 64 2.943 -3.129 8.118 1.00 0.00 C ATOM 1038 C ILE A 64 3.785 -3.874 9.154 1.00 0.00 C ATOM 1039 O ILE A 64 4.752 -4.560 8.818 1.00 0.00 O ATOM 1040 CB ILE A 64 3.347 -1.638 8.099 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.638 -0.917 6.952 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.859 -1.494 7.972 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.828 0.585 6.962 1.00 0.00 C ATOM 0 H ILE A 64 1.021 -2.427 8.609 1.00 0.00 H new ATOM 0 HA ILE A 64 3.131 -3.550 7.130 1.00 0.00 H new ATOM 0 HB ILE A 64 3.041 -1.181 9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.004 -1.314 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.572 -1.139 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.124 -0.437 7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.343 -1.980 8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.193 -1.962 7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.296 1.025 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.436 0.995 7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.890 0.818 6.882 1.00 0.00 H new ATOM 1055 N LYS A 65 3.393 -3.744 10.412 1.00 0.00 N ATOM 1056 CA LYS A 65 4.092 -4.387 11.514 1.00 0.00 C ATOM 1057 C LYS A 65 3.977 -5.903 11.416 1.00 0.00 C ATOM 1058 O LYS A 65 4.912 -6.621 11.744 1.00 0.00 O ATOM 1059 CB LYS A 65 3.525 -3.898 12.841 1.00 0.00 C ATOM 1060 CG LYS A 65 4.254 -4.431 14.055 1.00 0.00 C ATOM 1061 CD LYS A 65 3.714 -3.811 15.325 1.00 0.00 C ATOM 1062 CE LYS A 65 2.296 -4.271 15.622 1.00 0.00 C ATOM 1063 NZ LYS A 65 1.782 -3.685 16.888 1.00 0.00 N ATOM 0 H LYS A 65 2.584 -3.192 10.697 1.00 0.00 H new ATOM 0 HA LYS A 65 5.148 -4.123 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.558 -2.809 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.476 -4.186 12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.148 -5.515 14.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.319 -4.219 13.967 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.363 -4.072 16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.732 -2.725 15.235 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.641 -3.988 14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.273 -5.359 15.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.813 -4.021 17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.393 -3.976 17.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.781 -2.648 16.815 1.00 0.00 H new ATOM 1077 N LYS A 66 2.816 -6.375 10.983 1.00 0.00 N ATOM 1078 CA LYS A 66 2.616 -7.799 10.714 1.00 0.00 C ATOM 1079 C LYS A 66 3.690 -8.325 9.762 1.00 0.00 C ATOM 1080 O LYS A 66 4.273 -9.382 9.993 1.00 0.00 O ATOM 1081 CB LYS A 66 1.231 -8.056 10.108 1.00 0.00 C ATOM 1082 CG LYS A 66 0.933 -9.533 9.899 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.255 -9.753 8.975 1.00 0.00 C ATOM 1084 CE LYS A 66 -0.532 -11.239 8.790 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.509 -11.504 7.701 1.00 0.00 N ATOM 0 H LYS A 66 1.995 -5.795 10.809 1.00 0.00 H new ATOM 0 HA LYS A 66 2.689 -8.326 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.471 -7.627 10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.158 -7.538 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.812 -10.024 9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.734 -10.002 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.137 -9.263 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.058 -9.292 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.402 -11.755 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.912 -11.654 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.663 -12.529 7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.411 -11.035 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.137 -11.133 6.803 1.00 0.00 H new ATOM 1099 N ILE A 67 3.955 -7.576 8.696 1.00 0.00 N ATOM 1100 CA ILE A 67 4.972 -7.964 7.723 1.00 0.00 C ATOM 1101 C ILE A 67 6.361 -7.882 8.350 1.00 0.00 C ATOM 1102 O ILE A 67 7.225 -8.725 8.099 1.00 0.00 O ATOM 1103 CB ILE A 67 4.927 -7.071 6.467 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.499 -6.985 5.927 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.864 -7.616 5.395 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.339 -6.000 4.789 1.00 0.00 C ATOM 0 H ILE A 67 3.481 -6.698 8.484 1.00 0.00 H new ATOM 0 HA ILE A 67 4.761 -8.991 7.423 1.00 0.00 H new ATOM 0 HB ILE A 67 5.257 -6.069 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.188 -7.973 5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.829 -6.701 6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.821 -6.975 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.884 -7.637 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.558 -8.626 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.301 -5.993 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.618 -5.003 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.983 -6.294 3.960 1.00 0.00 H new ATOM 1118 N GLU A 68 6.564 -6.861 9.172 1.00 0.00 N ATOM 1119 CA GLU A 68 7.803 -6.704 9.926 1.00 0.00 C ATOM 1120 C GLU A 68 8.020 -7.913 10.836 1.00 0.00 C ATOM 1121 O GLU A 68 9.114 -8.476 10.902 1.00 0.00 O ATOM 1122 CB GLU A 68 7.739 -5.419 10.757 1.00 0.00 C ATOM 1123 CG GLU A 68 8.952 -5.198 11.641 1.00 0.00 C ATOM 1124 CD GLU A 68 8.817 -3.975 12.523 1.00 0.00 C ATOM 1125 OE1 GLU A 68 8.076 -4.034 13.529 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.460 -2.950 12.221 1.00 0.00 O ATOM 0 H GLU A 68 5.880 -6.122 9.335 1.00 0.00 H new ATOM 0 HA GLU A 68 8.641 -6.637 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.632 -4.568 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.846 -5.446 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.105 -6.077 12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.838 -5.094 11.015 1.00 0.00 H new ATOM 1133 N LYS A 69 6.952 -8.309 11.513 1.00 0.00 N ATOM 1134 CA LYS A 69 6.961 -9.461 12.405 1.00 0.00 C ATOM 1135 C LYS A 69 7.152 -10.758 11.618 1.00 0.00 C ATOM 1136 O LYS A 69 7.614 -11.764 12.155 1.00 0.00 O ATOM 1137 CB LYS A 69 5.645 -9.496 13.190 1.00 0.00 C ATOM 1138 CG LYS A 69 5.464 -10.730 14.053 1.00 0.00 C ATOM 1139 CD LYS A 69 4.130 -10.704 14.777 1.00 0.00 C ATOM 1140 CE LYS A 69 3.875 -12.003 15.522 1.00 0.00 C ATOM 1141 NZ LYS A 69 4.944 -12.302 16.509 1.00 0.00 N ATOM 0 H LYS A 69 6.049 -7.838 11.459 1.00 0.00 H new ATOM 0 HA LYS A 69 7.796 -9.370 13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.591 -8.612 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.815 -9.434 12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.526 -11.623 13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.274 -10.790 14.780 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.113 -9.871 15.480 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.328 -10.532 14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.915 -11.943 16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.804 -12.822 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.672 -13.131 17.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.833 -12.502 16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.077 -11.483 17.136 1.00 0.00 H new ATOM 1155 N LEU A 70 6.817 -10.714 10.335 1.00 0.00 N ATOM 1156 CA LEU A 70 6.940 -11.873 9.462 1.00 0.00 C ATOM 1157 C LEU A 70 8.416 -12.195 9.219 1.00 0.00 C ATOM 1158 O LEU A 70 8.770 -13.302 8.806 1.00 0.00 O ATOM 1159 CB LEU A 70 6.231 -11.596 8.132 1.00 0.00 C ATOM 1160 CG LEU A 70 5.885 -12.826 7.295 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.820 -13.657 7.992 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.412 -12.407 5.913 1.00 0.00 C ATOM 0 H LEU A 70 6.455 -9.880 9.873 1.00 0.00 H new ATOM 0 HA LEU A 70 6.472 -12.733 9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.311 -11.050 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.863 -10.939 7.535 1.00 0.00 H new ATOM 0 HG LEU A 70 6.782 -13.436 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.584 -14.530 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.190 -13.982 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.921 -13.056 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.169 -13.294 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.526 -11.780 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.202 -11.847 5.412 1.00 0.00 H new ATOM 1174 N GLY A 71 9.271 -11.211 9.474 1.00 0.00 N ATOM 1175 CA GLY A 71 10.699 -11.407 9.338 1.00 0.00 C ATOM 1176 C GLY A 71 11.259 -10.704 8.123 1.00 0.00 C ATOM 1177 O GLY A 71 12.471 -10.506 8.011 1.00 0.00 O ATOM 0 H GLY A 71 8.996 -10.276 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.201 -11.039 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.913 -12.474 9.269 1.00 0.00 H new ATOM 1181 N TYR A 72 10.376 -10.319 7.216 1.00 0.00 N ATOM 1182 CA TYR A 72 10.776 -9.645 5.991 1.00 0.00 C ATOM 1183 C TYR A 72 10.807 -8.139 6.216 1.00 0.00 C ATOM 1184 O TYR A 72 9.776 -7.470 6.147 1.00 0.00 O ATOM 1185 CB TYR A 72 9.810 -9.982 4.854 1.00 0.00 C ATOM 1186 CG TYR A 72 9.727 -11.456 4.512 1.00 0.00 C ATOM 1187 CD1 TYR A 72 8.949 -12.324 5.267 1.00 0.00 C ATOM 1188 CD2 TYR A 72 10.418 -11.974 3.424 1.00 0.00 C ATOM 1189 CE1 TYR A 72 8.860 -13.663 4.949 1.00 0.00 C ATOM 1190 CE2 TYR A 72 10.335 -13.314 3.099 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.556 -14.154 3.865 1.00 0.00 C ATOM 1192 OH TYR A 72 9.464 -15.490 3.542 1.00 0.00 O ATOM 0 H TYR A 72 9.370 -10.463 7.306 1.00 0.00 H new ATOM 0 HA TYR A 72 11.773 -9.988 5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.815 -9.629 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.113 -9.432 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.404 -11.944 6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.030 -11.318 2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.248 -14.323 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.878 -13.701 2.249 1.00 0.00 H new ATOM 0 HH TYR A 72 10.014 -15.674 2.752 1.00 0.00 H new ATOM 1202 N LEU A 73 11.989 -7.613 6.498 1.00 0.00 N ATOM 1203 CA LEU A 73 12.131 -6.206 6.847 1.00 0.00 C ATOM 1204 C LEU A 73 12.074 -5.310 5.620 1.00 0.00 C ATOM 1205 O LEU A 73 11.311 -4.343 5.594 1.00 0.00 O ATOM 1206 CB LEU A 73 13.427 -5.973 7.620 1.00 0.00 C ATOM 1207 CG LEU A 73 13.467 -6.626 9.002 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.777 -6.314 9.706 1.00 0.00 C ATOM 1209 CD2 LEU A 73 12.282 -6.159 9.834 1.00 0.00 C ATOM 0 H LEU A 73 12.864 -8.138 6.492 1.00 0.00 H new ATOM 0 HA LEU A 73 11.288 -5.941 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.261 -6.352 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.579 -4.900 7.735 1.00 0.00 H new ATOM 0 HG LEU A 73 13.401 -7.707 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.785 -6.788 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.608 -6.695 9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.879 -5.235 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.319 -6.630 10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.322 -5.076 9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.354 -6.437 9.334 1.00 0.00 H new ATOM 1221 N GLU A 74 12.865 -5.628 4.599 1.00 0.00 N ATOM 1222 CA GLU A 74 12.862 -4.832 3.379 1.00 0.00 C ATOM 1223 C GLU A 74 11.502 -4.914 2.702 1.00 0.00 C ATOM 1224 O GLU A 74 11.008 -3.926 2.169 1.00 0.00 O ATOM 1225 CB GLU A 74 13.966 -5.275 2.416 1.00 0.00 C ATOM 1226 CG GLU A 74 15.371 -5.069 2.962 1.00 0.00 C ATOM 1227 CD GLU A 74 16.440 -5.288 1.913 1.00 0.00 C ATOM 1228 OE1 GLU A 74 16.869 -6.445 1.727 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.853 -4.305 1.263 1.00 0.00 O ATOM 0 H GLU A 74 13.507 -6.420 4.592 1.00 0.00 H new ATOM 0 HA GLU A 74 13.060 -3.796 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.828 -6.330 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.864 -4.723 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.458 -4.058 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.538 -5.753 3.794 1.00 0.00 H new ATOM 1236 N ILE A 75 10.894 -6.095 2.744 1.00 0.00 N ATOM 1237 CA ILE A 75 9.542 -6.278 2.226 1.00 0.00 C ATOM 1238 C ILE A 75 8.569 -5.347 2.944 1.00 0.00 C ATOM 1239 O ILE A 75 7.842 -4.598 2.301 1.00 0.00 O ATOM 1240 CB ILE A 75 9.060 -7.739 2.374 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.932 -8.684 1.539 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.596 -7.870 1.970 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.841 -8.440 0.048 1.00 0.00 C ATOM 0 H ILE A 75 11.315 -6.939 3.131 1.00 0.00 H new ATOM 0 HA ILE A 75 9.569 -6.036 1.164 1.00 0.00 H new ATOM 0 HB ILE A 75 9.152 -8.021 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.970 -8.578 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.640 -9.713 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.279 -8.907 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.984 -7.232 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.477 -7.565 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.485 -9.146 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.811 -8.575 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.162 -7.422 -0.174 1.00 0.00 H new ATOM 1255 N ALA A 76 8.583 -5.381 4.274 1.00 0.00 N ATOM 1256 CA ALA A 76 7.708 -4.528 5.078 1.00 0.00 C ATOM 1257 C ALA A 76 7.905 -3.057 4.731 1.00 0.00 C ATOM 1258 O ALA A 76 6.938 -2.326 4.505 1.00 0.00 O ATOM 1259 CB ALA A 76 7.961 -4.755 6.562 1.00 0.00 C ATOM 0 H ALA A 76 9.192 -5.991 4.820 1.00 0.00 H new ATOM 0 HA ALA A 76 6.677 -4.797 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.302 -4.113 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.764 -5.798 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.999 -4.517 6.795 1.00 0.00 H new ATOM 1265 N MET A 77 9.162 -2.633 4.677 1.00 0.00 N ATOM 1266 CA MET A 77 9.488 -1.247 4.352 1.00 0.00 C ATOM 1267 C MET A 77 9.045 -0.882 2.936 1.00 0.00 C ATOM 1268 O MET A 77 8.539 0.213 2.701 1.00 0.00 O ATOM 1269 CB MET A 77 10.989 -0.990 4.513 1.00 0.00 C ATOM 1270 CG MET A 77 11.484 -1.134 5.943 1.00 0.00 C ATOM 1271 SD MET A 77 13.198 -0.616 6.147 1.00 0.00 S ATOM 1272 CE MET A 77 14.027 -1.729 5.014 1.00 0.00 C ATOM 0 H MET A 77 9.972 -3.227 4.854 1.00 0.00 H new ATOM 0 HA MET A 77 8.943 -0.614 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.538 -1.684 3.876 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.216 0.015 4.159 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.850 -0.542 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.385 -2.174 6.254 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.102 -1.555 5.054 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.815 -2.760 5.297 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.668 -1.550 4.000 1.00 0.00 H new ATOM 1282 N ARG A 78 9.218 -1.801 1.996 1.00 0.00 N ATOM 1283 CA ARG A 78 8.880 -1.524 0.607 1.00 0.00 C ATOM 1284 C ARG A 78 7.378 -1.643 0.360 1.00 0.00 C ATOM 1285 O ARG A 78 6.836 -0.967 -0.513 1.00 0.00 O ATOM 1286 CB ARG A 78 9.680 -2.426 -0.335 1.00 0.00 C ATOM 1287 CG ARG A 78 11.168 -2.112 -0.296 1.00 0.00 C ATOM 1288 CD ARG A 78 11.976 -2.954 -1.267 1.00 0.00 C ATOM 1289 NE ARG A 78 13.376 -2.524 -1.290 1.00 0.00 N ATOM 1290 CZ ARG A 78 14.423 -3.349 -1.332 1.00 0.00 C ATOM 1291 NH1 ARG A 78 14.242 -4.664 -1.337 1.00 0.00 N ATOM 1292 NH2 ARG A 78 15.654 -2.852 -1.361 1.00 0.00 N ATOM 0 H ARG A 78 9.587 -2.736 2.167 1.00 0.00 H new ATOM 0 HA ARG A 78 9.155 -0.491 0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.522 -3.469 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.310 -2.306 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.318 -1.057 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.542 -2.274 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.918 -4.004 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.550 -2.873 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 78 13.564 -1.522 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.298 -5.049 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.047 -5.289 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.797 -1.842 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.457 -3.480 -1.393 1.00 0.00 H new ATOM 1306 N VAL A 79 6.704 -2.485 1.134 1.00 0.00 N ATOM 1307 CA VAL A 79 5.246 -2.526 1.104 1.00 0.00 C ATOM 1308 C VAL A 79 4.697 -1.229 1.680 1.00 0.00 C ATOM 1309 O VAL A 79 3.716 -0.674 1.178 1.00 0.00 O ATOM 1310 CB VAL A 79 4.668 -3.735 1.876 1.00 0.00 C ATOM 1311 CG1 VAL A 79 3.155 -3.634 1.986 1.00 0.00 C ATOM 1312 CG2 VAL A 79 5.049 -5.042 1.196 1.00 0.00 C ATOM 0 H VAL A 79 7.137 -3.142 1.783 1.00 0.00 H new ATOM 0 HA VAL A 79 4.939 -2.640 0.064 1.00 0.00 H new ATOM 0 HB VAL A 79 5.094 -3.723 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.772 -4.495 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.889 -2.720 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.718 -3.614 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.632 -5.879 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.654 -5.052 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.135 -5.132 1.164 1.00 0.00 H new ATOM 1322 N LYS A 80 5.358 -0.733 2.722 1.00 0.00 N ATOM 1323 CA LYS A 80 5.031 0.572 3.275 1.00 0.00 C ATOM 1324 C LYS A 80 5.219 1.644 2.209 1.00 0.00 C ATOM 1325 O LYS A 80 4.423 2.575 2.108 1.00 0.00 O ATOM 1326 CB LYS A 80 5.913 0.890 4.489 1.00 0.00 C ATOM 1327 CG LYS A 80 5.645 2.264 5.091 1.00 0.00 C ATOM 1328 CD LYS A 80 6.676 2.637 6.146 1.00 0.00 C ATOM 1329 CE LYS A 80 6.599 1.732 7.363 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.626 2.088 8.375 1.00 0.00 N ATOM 0 H LYS A 80 6.121 -1.215 3.197 1.00 0.00 H new ATOM 0 HA LYS A 80 3.991 0.556 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.753 0.130 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.960 0.830 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.649 3.013 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.650 2.277 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.675 2.578 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.522 3.671 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.607 1.805 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.735 0.695 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.259 1.888 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.485 1.526 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.854 3.100 8.297 1.00 0.00 H new ATOM 1344 N GLN A 81 6.271 1.498 1.409 1.00 0.00 N ATOM 1345 CA GLN A 81 6.540 2.428 0.320 1.00 0.00 C ATOM 1346 C GLN A 81 5.400 2.415 -0.694 1.00 0.00 C ATOM 1347 O GLN A 81 4.971 3.475 -1.161 1.00 0.00 O ATOM 1348 CB GLN A 81 7.864 2.092 -0.369 1.00 0.00 C ATOM 1349 CG GLN A 81 8.265 3.102 -1.435 1.00 0.00 C ATOM 1350 CD GLN A 81 8.479 4.492 -0.867 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.589 4.850 -0.477 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.417 5.284 -0.813 1.00 0.00 N ATOM 0 H GLN A 81 6.951 0.743 1.496 1.00 0.00 H new ATOM 0 HA GLN A 81 6.617 3.429 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.652 2.036 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.787 1.105 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.181 2.767 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.492 3.142 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.513 4.949 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.504 6.228 -0.438 1.00 0.00 H new ATOM 1361 N TYR A 82 4.910 1.220 -1.030 1.00 0.00 N ATOM 1362 CA TYR A 82 3.747 1.096 -1.904 1.00 0.00 C ATOM 1363 C TYR A 82 2.570 1.848 -1.298 1.00 0.00 C ATOM 1364 O TYR A 82 1.945 2.683 -1.951 1.00 0.00 O ATOM 1365 CB TYR A 82 3.332 -0.368 -2.103 1.00 0.00 C ATOM 1366 CG TYR A 82 4.399 -1.287 -2.657 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.243 -0.891 -3.688 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.540 -2.572 -2.154 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.198 -1.755 -4.197 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.492 -3.436 -2.650 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.317 -3.027 -3.671 1.00 0.00 C ATOM 1372 OH TYR A 82 7.258 -3.898 -4.170 1.00 0.00 O ATOM 0 H TYR A 82 5.298 0.332 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 82 4.023 1.515 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.000 -0.765 -1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.473 -0.394 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.153 0.104 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.890 -2.902 -1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.846 -1.436 -5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.590 -4.430 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 82 7.877 -4.156 -3.455 1.00 0.00 H new ATOM 1382 N ALA A 83 2.291 1.550 -0.030 1.00 0.00 N ATOM 1383 CA ALA A 83 1.189 2.169 0.691 1.00 0.00 C ATOM 1384 C ALA A 83 1.353 3.680 0.761 1.00 0.00 C ATOM 1385 O ALA A 83 0.382 4.416 0.654 1.00 0.00 O ATOM 1386 CB ALA A 83 1.073 1.580 2.090 1.00 0.00 C ATOM 0 H ALA A 83 2.822 0.875 0.521 1.00 0.00 H new ATOM 0 HA ALA A 83 0.270 1.958 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.244 2.053 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.893 0.507 2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.999 1.757 2.637 1.00 0.00 H new ATOM 1392 N THR A 84 2.588 4.138 0.925 1.00 0.00 N ATOM 1393 CA THR A 84 2.872 5.567 0.987 1.00 0.00 C ATOM 1394 C THR A 84 2.540 6.243 -0.343 1.00 0.00 C ATOM 1395 O THR A 84 2.016 7.354 -0.370 1.00 0.00 O ATOM 1396 CB THR A 84 4.348 5.837 1.351 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.689 5.162 2.571 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.606 7.328 1.515 1.00 0.00 C ATOM 0 H THR A 84 3.410 3.541 1.018 1.00 0.00 H new ATOM 0 HA THR A 84 2.242 5.987 1.771 1.00 0.00 H new ATOM 0 HB THR A 84 4.967 5.460 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.617 4.193 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.653 7.490 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.377 7.842 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.973 7.722 2.310 1.00 0.00 H new ATOM 1406 N ALA A 85 2.833 5.560 -1.444 1.00 0.00 N ATOM 1407 CA ALA A 85 2.525 6.086 -2.766 1.00 0.00 C ATOM 1408 C ALA A 85 1.015 6.184 -2.962 1.00 0.00 C ATOM 1409 O ALA A 85 0.507 7.177 -3.484 1.00 0.00 O ATOM 1410 CB ALA A 85 3.153 5.217 -3.842 1.00 0.00 C ATOM 0 H ALA A 85 3.282 4.644 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 85 2.945 7.088 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.913 5.624 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.235 5.200 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.762 4.202 -3.764 1.00 0.00 H new ATOM 1416 N ILE A 86 0.305 5.148 -2.529 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.154 5.135 -2.583 1.00 0.00 C ATOM 1418 C ILE A 86 -1.725 6.191 -1.640 1.00 0.00 C ATOM 1419 O ILE A 86 -2.695 6.875 -1.961 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.722 3.756 -2.187 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.071 2.648 -3.019 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.236 3.733 -2.364 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.489 1.251 -2.612 1.00 0.00 C ATOM 0 H ILE A 86 0.718 4.302 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.444 5.353 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.493 3.578 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.321 2.800 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.012 2.732 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.621 2.753 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.688 4.497 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.483 3.932 -3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.986 0.521 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.214 1.077 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.568 1.147 -2.724 1.00 0.00 H new ATOM 1435 N MET A 87 -1.100 6.314 -0.480 1.00 0.00 N ATOM 1436 CA MET A 87 -1.523 7.264 0.538 1.00 0.00 C ATOM 1437 C MET A 87 -1.327 8.696 0.047 1.00 0.00 C ATOM 1438 O MET A 87 -2.178 9.557 0.253 1.00 0.00 O ATOM 1439 CB MET A 87 -0.725 7.037 1.820 1.00 0.00 C ATOM 1440 CG MET A 87 -1.554 7.135 3.087 1.00 0.00 C ATOM 1441 SD MET A 87 -2.774 5.815 3.219 1.00 0.00 S ATOM 1442 CE MET A 87 -1.722 4.363 3.173 1.00 0.00 C ATOM 0 H MET A 87 -0.286 5.759 -0.217 1.00 0.00 H new ATOM 0 HA MET A 87 -2.583 7.110 0.742 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.260 6.052 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 87 0.082 7.768 1.868 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.893 7.102 3.953 1.00 0.00 H new ATOM 0 HG3 MET A 87 -2.063 8.099 3.111 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.121 3.603 3.845 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.691 3.968 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.714 4.634 3.488 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.199 8.945 -0.612 1.00 0.00 N ATOM 1453 CA ARG A 88 0.063 10.245 -1.217 1.00 0.00 C ATOM 1454 C ARG A 88 -0.947 10.527 -2.327 1.00 0.00 C ATOM 1455 O ARG A 88 -1.380 11.666 -2.520 1.00 0.00 O ATOM 1456 CB ARG A 88 1.502 10.309 -1.746 1.00 0.00 C ATOM 1457 CG ARG A 88 1.778 11.506 -2.643 1.00 0.00 C ATOM 1458 CD ARG A 88 3.268 11.786 -2.792 1.00 0.00 C ATOM 1459 NE ARG A 88 4.052 10.581 -3.072 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.415 10.186 -4.293 1.00 0.00 C ATOM 1461 NH1 ARG A 88 3.960 10.816 -5.368 1.00 0.00 N ATOM 1462 NH2 ARG A 88 5.230 9.147 -4.433 1.00 0.00 N ATOM 0 H ARG A 88 0.548 8.262 -0.740 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.049 11.017 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.189 10.336 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.715 9.395 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.344 11.328 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.284 12.387 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.418 12.505 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.638 12.249 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 88 4.340 10.006 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.327 11.609 -5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.243 10.507 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.575 8.655 -3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.511 8.841 -5.365 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.333 9.480 -3.041 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.380 9.578 -4.051 1.00 0.00 C ATOM 1478 C TYR A 89 -3.717 9.889 -3.377 1.00 0.00 C ATOM 1479 O TYR A 89 -4.548 10.615 -3.920 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.457 8.265 -4.845 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.492 8.243 -5.952 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.503 9.212 -6.948 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.446 7.234 -6.013 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.435 9.176 -7.970 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.381 7.193 -7.030 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.371 8.166 -8.005 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.298 8.126 -9.022 1.00 0.00 O ATOM 0 H TYR A 89 -0.935 8.546 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.148 10.386 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.478 8.064 -5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.671 7.451 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.772 10.006 -6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.457 6.468 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.429 9.936 -8.737 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.116 6.402 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.884 7.350 -8.900 1.00 0.00 H new ATOM 1497 N ALA A 90 -3.897 9.351 -2.177 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.100 9.587 -1.387 1.00 0.00 C ATOM 1499 C ALA A 90 -5.186 11.039 -0.932 1.00 0.00 C ATOM 1500 O ALA A 90 -6.263 11.641 -0.957 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.128 8.654 -0.185 1.00 0.00 C ATOM 0 H ALA A 90 -3.216 8.741 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.965 9.382 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.030 8.839 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.123 7.619 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.251 8.835 0.437 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.052 11.594 -0.513 1.00 0.00 N ATOM 1508 CA VAL A 91 -3.986 12.992 -0.098 1.00 0.00 C ATOM 1509 C VAL A 91 -4.413 13.906 -1.241 1.00 0.00 C ATOM 1510 O VAL A 91 -5.193 14.841 -1.048 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.560 13.387 0.357 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.504 14.849 0.781 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.090 12.489 1.491 1.00 0.00 C ATOM 0 H VAL A 91 -3.164 11.095 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.666 13.109 0.746 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.890 13.254 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.491 15.098 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.789 15.483 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.192 15.014 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.086 12.783 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.769 12.586 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.077 11.453 1.153 1.00 0.00 H new ATOM 1523 N GLN A 92 -3.922 13.601 -2.436 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.221 14.397 -3.622 1.00 0.00 C ATOM 1525 C GLN A 92 -5.685 14.265 -4.032 1.00 0.00 C ATOM 1526 O GLN A 92 -6.224 15.128 -4.720 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.315 13.971 -4.776 1.00 0.00 C ATOM 1528 CG GLN A 92 -1.839 14.209 -4.504 1.00 0.00 C ATOM 1529 CD GLN A 92 -0.951 13.569 -5.549 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.617 14.184 -6.561 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -0.565 12.327 -5.309 1.00 0.00 N ATOM 0 H GLN A 92 -3.311 12.803 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.036 15.443 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.473 12.912 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.604 14.516 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.646 15.281 -4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.584 13.812 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.866 11.855 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.034 11.841 -5.977 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.327 13.185 -3.606 1.00 0.00 N ATOM 1541 CA GLN A 93 -7.733 12.963 -3.925 1.00 0.00 C ATOM 1542 C GLN A 93 -8.646 13.534 -2.849 1.00 0.00 C ATOM 1543 O GLN A 93 -9.860 13.316 -2.884 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.025 11.477 -4.102 1.00 0.00 C ATOM 1545 CG GLN A 93 -7.406 10.872 -5.343 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.020 9.533 -5.674 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.990 9.452 -6.424 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -7.475 8.476 -5.105 1.00 0.00 N ATOM 0 H GLN A 93 -5.900 12.451 -3.041 1.00 0.00 H new ATOM 0 HA GLN A 93 -7.933 13.481 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.660 10.939 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.105 11.331 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.538 11.552 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.333 10.754 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.670 8.587 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.858 7.547 -5.281 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.050 14.241 -1.886 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.800 14.922 -0.828 1.00 0.00 C ATOM 1559 C LYS A 94 -9.473 13.913 0.109 1.00 0.00 C ATOM 1560 O LYS A 94 -10.343 14.267 0.904 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.842 15.864 -1.451 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.465 16.852 -0.475 1.00 0.00 C ATOM 1563 CD LYS A 94 -11.407 17.812 -1.183 1.00 0.00 C ATOM 1564 CE LYS A 94 -12.082 18.759 -0.205 1.00 0.00 C ATOM 1565 NZ LYS A 94 -11.099 19.495 0.632 1.00 0.00 N ATOM 0 H LYS A 94 -7.039 14.357 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.102 15.510 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.371 16.421 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.635 15.264 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.010 16.309 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.678 17.415 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.851 18.388 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.165 17.246 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.694 19.473 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.755 18.194 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.581 20.268 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.675 18.844 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.353 19.890 0.025 1.00 0.00 H new ATOM 1579 N MET A 95 -9.052 12.656 0.029 1.00 0.00 N ATOM 1580 CA MET A 95 -9.649 11.609 0.851 1.00 0.00 C ATOM 1581 C MET A 95 -9.102 11.678 2.267 1.00 0.00 C ATOM 1582 O MET A 95 -9.847 11.577 3.239 1.00 0.00 O ATOM 1583 CB MET A 95 -9.384 10.223 0.260 1.00 0.00 C ATOM 1584 CG MET A 95 -9.753 10.099 -1.207 1.00 0.00 C ATOM 1585 SD MET A 95 -9.739 8.390 -1.788 1.00 0.00 S ATOM 1586 CE MET A 95 -8.196 7.798 -1.106 1.00 0.00 C ATOM 0 H MET A 95 -8.307 12.338 -0.591 1.00 0.00 H new ATOM 0 HA MET A 95 -10.726 11.772 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.327 9.984 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.946 9.483 0.830 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.744 10.524 -1.365 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.055 10.687 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.244 6.716 -0.984 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.379 8.051 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.024 8.265 -0.137 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.793 11.853 2.376 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.150 11.963 3.673 1.00 0.00 C ATOM 1598 C ILE A 96 -6.428 13.299 3.790 1.00 0.00 C ATOM 1599 O ILE A 96 -6.166 13.963 2.784 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.156 10.805 3.931 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.070 10.773 2.855 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.898 9.477 3.987 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -4.007 9.725 3.105 1.00 0.00 C ATOM 0 H ILE A 96 -7.157 11.922 1.581 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.933 11.901 4.429 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.672 10.973 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.534 10.586 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.597 11.753 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.188 8.671 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.631 9.504 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.407 9.305 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.269 9.757 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.517 9.924 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.469 8.738 3.133 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.118 13.686 5.017 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.492 14.976 5.287 1.00 0.00 C ATOM 1617 C ARG A 97 -4.013 14.959 4.917 1.00 0.00 C ATOM 1618 O ARG A 97 -3.583 15.662 4.001 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.667 15.332 6.764 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.094 15.696 7.134 1.00 0.00 C ATOM 1621 CD ARG A 97 -7.387 15.436 8.605 1.00 0.00 C ATOM 1622 NE ARG A 97 -6.424 16.075 9.504 1.00 0.00 N ATOM 1623 CZ ARG A 97 -6.759 16.668 10.654 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -8.039 16.819 10.982 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -5.813 17.130 11.465 1.00 0.00 N ATOM 0 H ARG A 97 -6.290 13.122 5.849 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.979 15.733 4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.346 14.487 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.012 16.168 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.269 16.748 6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.786 15.120 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.388 15.797 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.385 14.361 8.785 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.440 16.067 9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.769 16.482 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.290 17.272 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.830 17.032 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.070 17.582 12.342 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.239 14.157 5.633 1.00 0.00 N ATOM 1640 CA PHE A 98 -1.815 14.024 5.364 1.00 0.00 C ATOM 1641 C PHE A 98 -1.443 12.555 5.221 1.00 0.00 C ATOM 1642 O PHE A 98 -2.307 11.683 5.295 1.00 0.00 O ATOM 1643 CB PHE A 98 -0.981 14.678 6.473 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.050 16.180 6.476 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -0.251 16.924 5.624 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -1.912 16.845 7.330 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -0.312 18.305 5.625 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -1.977 18.224 7.337 1.00 0.00 C ATOM 1649 CZ PHE A 98 -1.177 18.956 6.482 1.00 0.00 C ATOM 0 H PHE A 98 -3.575 13.586 6.408 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.596 14.538 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.322 14.306 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.059 14.371 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.427 16.420 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.542 16.278 8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.316 18.874 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.653 18.730 8.011 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.228 20.035 6.484 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.160 12.290 5.013 1.00 0.00 N ATOM 1660 CA ASN A 99 0.324 10.929 4.809 1.00 0.00 C ATOM 1661 C ASN A 99 0.769 10.305 6.131 1.00 0.00 C ATOM 1662 O ASN A 99 1.831 10.637 6.658 1.00 0.00 O ATOM 1663 CB ASN A 99 1.485 10.933 3.808 1.00 0.00 C ATOM 1664 CG ASN A 99 2.018 9.542 3.519 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.542 8.858 2.622 1.00 0.00 O ATOM 1666 ND2 ASN A 99 3.017 9.119 4.274 1.00 0.00 N ATOM 0 H ASN A 99 0.569 13.003 4.981 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.493 10.328 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.153 11.391 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.293 11.553 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.418 8.194 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.387 9.718 5.012 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.039 9.385 6.684 1.00 0.00 N ATOM 1674 CA PRO A 100 0.243 8.738 7.968 1.00 0.00 C ATOM 1675 C PRO A 100 1.252 7.599 7.835 1.00 0.00 C ATOM 1676 O PRO A 100 1.648 6.985 8.823 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.123 8.184 8.409 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.104 8.598 7.355 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.302 8.903 6.124 1.00 0.00 C ATOM 0 HA PRO A 100 0.684 9.436 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.090 7.099 8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.408 8.582 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.824 7.803 7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.672 9.472 7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.160 8.019 5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.784 9.656 5.501 1.00 0.00 H new ATOM 1687 N ALA A 101 1.677 7.337 6.607 1.00 0.00 N ATOM 1688 CA ALA A 101 2.577 6.227 6.328 1.00 0.00 C ATOM 1689 C ALA A 101 4.039 6.609 6.567 1.00 0.00 C ATOM 1690 O ALA A 101 4.945 5.866 6.199 1.00 0.00 O ATOM 1691 CB ALA A 101 2.377 5.742 4.900 1.00 0.00 C ATOM 0 H ALA A 101 1.412 7.880 5.785 1.00 0.00 H new ATOM 0 HA ALA A 101 2.337 5.418 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.054 4.912 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.347 5.410 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.586 6.556 4.206 1.00 0.00 H new ATOM 1697 N TYR A 102 4.265 7.764 7.186 1.00 0.00 N ATOM 1698 CA TYR A 102 5.621 8.203 7.513 1.00 0.00 C ATOM 1699 C TYR A 102 5.958 7.892 8.971 1.00 0.00 C ATOM 1700 O TYR A 102 6.885 8.470 9.539 1.00 0.00 O ATOM 1701 CB TYR A 102 5.805 9.698 7.229 1.00 0.00 C ATOM 1702 CG TYR A 102 5.978 10.018 5.759 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.798 9.237 4.956 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.324 11.096 5.177 1.00 0.00 C ATOM 1705 CE1 TYR A 102 6.964 9.519 3.614 1.00 0.00 C ATOM 1706 CE2 TYR A 102 5.484 11.385 3.833 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.305 10.594 3.056 1.00 0.00 C ATOM 1708 OH TYR A 102 6.470 10.877 1.718 1.00 0.00 O ATOM 0 H TYR A 102 3.531 8.412 7.471 1.00 0.00 H new ATOM 0 HA TYR A 102 6.309 7.650 6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 102 4.941 10.241 7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.676 10.059 7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.316 8.394 5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.681 11.718 5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.607 8.901 3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.968 12.226 3.394 1.00 0.00 H new ATOM 0 HH TYR A 102 5.937 11.665 1.482 1.00 0.00 H new ATOM 1718 N ASP A 103 5.196 6.965 9.553 1.00 0.00 N ATOM 1719 CA ASP A 103 5.433 6.476 10.915 1.00 0.00 C ATOM 1720 C ASP A 103 5.343 7.599 11.942 1.00 0.00 C ATOM 1721 O ASP A 103 6.357 8.173 12.343 1.00 0.00 O ATOM 1722 CB ASP A 103 6.797 5.782 11.037 1.00 0.00 C ATOM 1723 CG ASP A 103 6.937 4.583 10.122 1.00 0.00 C ATOM 1724 OD1 ASP A 103 6.339 3.530 10.410 1.00 0.00 O ATOM 1725 OD2 ASP A 103 7.659 4.685 9.107 1.00 0.00 O ATOM 0 H ASP A 103 4.396 6.530 9.094 1.00 0.00 H new ATOM 0 HA ASP A 103 4.648 5.749 11.122 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.585 6.500 10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.945 5.463 12.069 1.00 0.00 H new ATOM 1730 N LEU A 104 4.125 7.908 12.366 1.00 0.00 N ATOM 1731 CA LEU A 104 3.900 8.949 13.366 1.00 0.00 C ATOM 1732 C LEU A 104 4.426 8.512 14.724 1.00 0.00 C ATOM 1733 O LEU A 104 5.058 9.288 15.436 1.00 0.00 O ATOM 1734 CB LEU A 104 2.412 9.294 13.476 1.00 0.00 C ATOM 1735 CG LEU A 104 1.865 10.236 12.397 1.00 0.00 C ATOM 1736 CD1 LEU A 104 2.620 11.557 12.407 1.00 0.00 C ATOM 1737 CD2 LEU A 104 1.933 9.599 11.019 1.00 0.00 C ATOM 0 H LEU A 104 3.275 7.453 12.034 1.00 0.00 H new ATOM 0 HA LEU A 104 4.442 9.838 13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.840 8.367 13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.234 9.747 14.451 1.00 0.00 H new ATOM 0 HG LEU A 104 0.817 10.429 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.217 12.212 11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.508 12.033 13.381 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.677 11.374 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.538 10.293 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.969 9.362 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.341 8.684 11.012 1.00 0.00 H new ATOM 1749 N GLU A 105 4.178 7.255 15.069 1.00 0.00 N ATOM 1750 CA GLU A 105 4.662 6.700 16.331 1.00 0.00 C ATOM 1751 C GLU A 105 6.174 6.472 16.282 1.00 0.00 C ATOM 1752 O GLU A 105 6.777 6.008 17.251 1.00 0.00 O ATOM 1753 CB GLU A 105 3.939 5.392 16.664 1.00 0.00 C ATOM 1754 CG GLU A 105 2.432 5.543 16.776 1.00 0.00 C ATOM 1755 CD GLU A 105 1.761 4.298 17.319 1.00 0.00 C ATOM 1756 OE1 GLU A 105 1.770 3.261 16.627 1.00 0.00 O ATOM 1757 OE2 GLU A 105 1.217 4.351 18.442 1.00 0.00 O ATOM 0 H GLU A 105 3.646 6.600 14.496 1.00 0.00 H new ATOM 0 HA GLU A 105 4.448 7.423 17.118 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.166 4.655 15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.328 5.001 17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.202 6.388 17.425 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.020 5.775 15.794 1.00 0.00 H new ATOM 1764 N GLY A 106 6.778 6.798 15.146 1.00 0.00 N ATOM 1765 CA GLY A 106 8.218 6.716 15.015 1.00 0.00 C ATOM 1766 C GLY A 106 8.864 8.079 15.157 1.00 0.00 C ATOM 1767 O GLY A 106 10.089 8.203 15.148 1.00 0.00 O ATOM 0 H GLY A 106 6.292 7.119 14.309 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.616 6.042 15.774 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.473 6.290 14.045 1.00 0.00 H new ATOM 1771 N ALA A 107 8.031 9.105 15.291 1.00 0.00 N ATOM 1772 CA ALA A 107 8.509 10.467 15.465 1.00 0.00 C ATOM 1773 C ALA A 107 8.681 10.774 16.945 1.00 0.00 C ATOM 1774 O ALA A 107 7.705 10.858 17.693 1.00 0.00 O ATOM 1775 CB ALA A 107 7.551 11.457 14.818 1.00 0.00 C ATOM 0 H ALA A 107 7.015 9.015 15.282 1.00 0.00 H new ATOM 0 HA ALA A 107 9.478 10.564 14.974 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.926 12.471 14.959 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.473 11.244 13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.568 11.366 15.279 1.00 0.00 H new ATOM 1781 N VAL A 108 9.925 10.931 17.367 1.00 0.00 N ATOM 1782 CA VAL A 108 10.226 11.152 18.771 1.00 0.00 C ATOM 1783 C VAL A 108 10.936 12.488 18.969 1.00 0.00 C ATOM 1784 O VAL A 108 11.852 12.839 18.224 1.00 0.00 O ATOM 1785 CB VAL A 108 11.080 9.996 19.350 1.00 0.00 C ATOM 1786 CG1 VAL A 108 12.394 9.851 18.594 1.00 0.00 C ATOM 1787 CG2 VAL A 108 11.330 10.196 20.839 1.00 0.00 C ATOM 0 H VAL A 108 10.742 10.909 16.757 1.00 0.00 H new ATOM 0 HA VAL A 108 9.280 11.178 19.312 1.00 0.00 H new ATOM 0 HB VAL A 108 10.517 9.071 19.223 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.972 9.032 19.023 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.189 9.640 17.545 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.963 10.777 18.673 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.932 9.371 21.221 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.861 11.135 20.996 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.377 10.225 21.367 1.00 0.00 H new ATOM 1797 N GLN A 109 10.488 13.239 19.962 1.00 0.00 N ATOM 1798 CA GLN A 109 11.090 14.522 20.286 1.00 0.00 C ATOM 1799 C GLN A 109 11.864 14.418 21.590 1.00 0.00 C ATOM 1800 O GLN A 109 11.728 13.434 22.323 1.00 0.00 O ATOM 1801 CB GLN A 109 10.010 15.596 20.416 1.00 0.00 C ATOM 1802 CG GLN A 109 9.195 15.801 19.152 1.00 0.00 C ATOM 1803 CD GLN A 109 8.056 16.783 19.344 1.00 0.00 C ATOM 1804 OE1 GLN A 109 7.667 17.490 18.415 1.00 0.00 O ATOM 1805 NE2 GLN A 109 7.507 16.827 20.548 1.00 0.00 N ATOM 0 H GLN A 109 9.704 12.980 20.561 1.00 0.00 H new ATOM 0 HA GLN A 109 11.772 14.799 19.482 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.338 15.326 21.231 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.481 16.540 20.691 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.849 16.160 18.357 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.792 14.843 18.825 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.859 16.224 21.291 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.732 17.464 20.732 1.00 0.00 H new ATOM 1814 N LYS A 110 12.680 15.420 21.878 1.00 0.00 N ATOM 1815 CA LYS A 110 13.375 15.471 23.148 1.00 0.00 C ATOM 1816 C LYS A 110 12.701 16.495 24.050 1.00 0.00 C ATOM 1817 O LYS A 110 12.212 17.528 23.581 1.00 0.00 O ATOM 1818 CB LYS A 110 14.861 15.787 22.954 1.00 0.00 C ATOM 1819 CG LYS A 110 15.561 14.798 22.035 1.00 0.00 C ATOM 1820 CD LYS A 110 17.066 14.787 22.244 1.00 0.00 C ATOM 1821 CE LYS A 110 17.739 13.796 21.308 1.00 0.00 C ATOM 1822 NZ LYS A 110 19.125 13.472 21.737 1.00 0.00 N ATOM 0 H LYS A 110 12.874 16.202 21.253 1.00 0.00 H new ATOM 0 HA LYS A 110 13.320 14.492 23.624 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.963 16.792 22.544 1.00 0.00 H new ATOM 0 HB3 LYS A 110 15.357 15.787 23.925 1.00 0.00 H new ATOM 0 HG2 LYS A 110 15.164 13.798 22.210 1.00 0.00 H new ATOM 0 HG3 LYS A 110 15.342 15.051 20.998 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.468 15.786 22.072 1.00 0.00 H new ATOM 0 HD3 LYS A 110 17.291 14.526 23.278 1.00 0.00 H new ATOM 0 HE2 LYS A 110 17.150 12.880 21.266 1.00 0.00 H new ATOM 0 HE3 LYS A 110 17.760 14.208 20.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 19.545 12.793 21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 19.696 14.341 21.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 19.105 13.054 22.689 1.00 0.00 H new ATOM 1836 N LEU A 111 12.665 16.194 25.337 1.00 0.00 N ATOM 1837 CA LEU A 111 11.892 16.977 26.287 1.00 0.00 C ATOM 1838 C LEU A 111 12.577 18.297 26.603 1.00 0.00 C ATOM 1839 O LEU A 111 11.902 19.304 26.839 1.00 0.00 O ATOM 1840 CB LEU A 111 11.680 16.179 27.576 1.00 0.00 C ATOM 1841 CG LEU A 111 11.023 14.808 27.393 1.00 0.00 C ATOM 1842 CD1 LEU A 111 10.930 14.081 28.725 1.00 0.00 C ATOM 1843 CD2 LEU A 111 9.644 14.955 26.769 1.00 0.00 C ATOM 0 H LEU A 111 13.166 15.407 25.750 1.00 0.00 H new ATOM 0 HA LEU A 111 10.926 17.197 25.833 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.646 16.039 28.061 1.00 0.00 H new ATOM 0 HB3 LEU A 111 11.065 16.771 28.254 1.00 0.00 H new ATOM 0 HG LEU A 111 11.643 14.217 26.719 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.461 13.108 28.577 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.931 13.942 29.134 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.332 14.670 29.420 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.193 13.970 26.647 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.014 15.565 27.417 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.735 15.436 25.795 1.00 0.00 H new ATOM 1855 N GLU A 112 13.914 18.274 26.613 1.00 0.00 N ATOM 1856 CA GLU A 112 14.740 19.447 26.930 1.00 0.00 C ATOM 1857 C GLU A 112 14.646 19.800 28.415 1.00 0.00 C ATOM 1858 O GLU A 112 15.664 19.946 29.091 1.00 0.00 O ATOM 1859 CB GLU A 112 14.361 20.647 26.059 1.00 0.00 C ATOM 1860 CG GLU A 112 14.543 20.395 24.572 1.00 0.00 C ATOM 1861 CD GLU A 112 14.049 21.546 23.726 1.00 0.00 C ATOM 1862 OE1 GLU A 112 12.845 21.570 23.394 1.00 0.00 O ATOM 1863 OE2 GLU A 112 14.858 22.443 23.401 1.00 0.00 O ATOM 0 H GLU A 112 14.458 17.437 26.401 1.00 0.00 H new ATOM 0 HA GLU A 112 15.776 19.190 26.709 1.00 0.00 H new ATOM 0 HB2 GLU A 112 13.321 20.911 26.250 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.967 21.505 26.351 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.598 20.221 24.363 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.009 19.487 24.292 1.00 0.00 H new ATOM 1870 N HIS A 113 13.427 19.928 28.917 1.00 0.00 N ATOM 1871 CA HIS A 113 13.205 20.144 30.338 1.00 0.00 C ATOM 1872 C HIS A 113 13.439 18.842 31.086 1.00 0.00 C ATOM 1873 O HIS A 113 13.182 17.763 30.545 1.00 0.00 O ATOM 1874 CB HIS A 113 11.782 20.650 30.608 1.00 0.00 C ATOM 1875 CG HIS A 113 11.495 22.012 30.051 1.00 0.00 C ATOM 1876 ND1 HIS A 113 11.492 23.154 30.821 1.00 0.00 N ATOM 1877 CD2 HIS A 113 11.181 22.410 28.795 1.00 0.00 C ATOM 1878 CE1 HIS A 113 11.185 24.192 30.066 1.00 0.00 C ATOM 1879 NE2 HIS A 113 10.991 23.768 28.832 1.00 0.00 N ATOM 0 H HIS A 113 12.574 19.886 28.359 1.00 0.00 H new ATOM 0 HA HIS A 113 13.904 20.905 30.686 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.070 19.940 30.186 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.614 20.668 31.685 1.00 0.00 H new ATOM 0 HD2 HIS A 113 11.096 21.775 27.925 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.106 25.215 30.402 1.00 0.00 H new ATOM 0 HE2 HIS A 113 10.741 24.354 28.036 1.00 0.00 H new ATOM 1888 N HIS A 114 13.938 18.948 32.316 1.00 0.00 N ATOM 1889 CA HIS A 114 14.246 17.780 33.143 1.00 0.00 C ATOM 1890 C HIS A 114 15.423 17.013 32.548 1.00 0.00 C ATOM 1891 O HIS A 114 15.577 15.812 32.771 1.00 0.00 O ATOM 1892 CB HIS A 114 13.028 16.854 33.294 1.00 0.00 C ATOM 1893 CG HIS A 114 11.891 17.456 34.064 1.00 0.00 C ATOM 1894 ND1 HIS A 114 11.721 17.273 35.418 1.00 0.00 N ATOM 1895 CD2 HIS A 114 10.852 18.222 33.658 1.00 0.00 C ATOM 1896 CE1 HIS A 114 10.628 17.899 35.812 1.00 0.00 C ATOM 1897 NE2 HIS A 114 10.080 18.485 34.763 1.00 0.00 N ATOM 0 H HIS A 114 14.140 19.840 32.767 1.00 0.00 H new ATOM 0 HA HIS A 114 14.514 18.137 34.137 1.00 0.00 H new ATOM 0 HB2 HIS A 114 12.673 16.574 32.302 1.00 0.00 H new ATOM 0 HB3 HIS A 114 13.343 15.936 33.790 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.664 18.564 32.651 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.246 17.927 36.822 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.225 19.041 34.772 1.00 0.00 H new ATOM 1906 N HIS A 115 16.269 17.724 31.815 1.00 0.00 N ATOM 1907 CA HIS A 115 17.402 17.107 31.147 1.00 0.00 C ATOM 1908 C HIS A 115 18.645 17.971 31.306 1.00 0.00 C ATOM 1909 O HIS A 115 18.714 19.085 30.786 1.00 0.00 O ATOM 1910 CB HIS A 115 17.091 16.891 29.662 1.00 0.00 C ATOM 1911 CG HIS A 115 18.130 16.096 28.935 1.00 0.00 C ATOM 1912 ND1 HIS A 115 18.263 14.731 29.069 1.00 0.00 N ATOM 1913 CD2 HIS A 115 19.085 16.479 28.057 1.00 0.00 C ATOM 1914 CE1 HIS A 115 19.254 14.312 28.304 1.00 0.00 C ATOM 1915 NE2 HIS A 115 19.772 15.352 27.680 1.00 0.00 N ATOM 0 H HIS A 115 16.190 18.730 31.669 1.00 0.00 H new ATOM 0 HA HIS A 115 17.591 16.138 31.608 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.130 16.384 29.572 1.00 0.00 H new ATOM 0 HB3 HIS A 115 16.986 17.862 29.178 1.00 0.00 H new ATOM 0 HD2 HIS A 115 19.273 17.486 27.715 1.00 0.00 H new ATOM 0 HE1 HIS A 115 19.585 13.289 28.206 1.00 0.00 H new ATOM 0 HE2 HIS A 115 20.554 15.324 27.026 1.00 0.00 H new ATOM 1924 N HIS A 116 19.617 17.457 32.038 1.00 0.00 N ATOM 1925 CA HIS A 116 20.873 18.163 32.240 1.00 0.00 C ATOM 1926 C HIS A 116 21.973 17.531 31.407 1.00 0.00 C ATOM 1927 O HIS A 116 21.788 16.465 30.820 1.00 0.00 O ATOM 1928 CB HIS A 116 21.299 18.125 33.709 1.00 0.00 C ATOM 1929 CG HIS A 116 20.351 18.781 34.658 1.00 0.00 C ATOM 1930 ND1 HIS A 116 19.950 18.188 35.830 1.00 0.00 N ATOM 1931 CD2 HIS A 116 19.756 19.994 34.629 1.00 0.00 C ATOM 1932 CE1 HIS A 116 19.150 19.005 36.485 1.00 0.00 C ATOM 1933 NE2 HIS A 116 19.015 20.112 35.779 1.00 0.00 N ATOM 0 H HIS A 116 19.562 16.551 32.504 1.00 0.00 H new ATOM 0 HA HIS A 116 20.717 19.198 31.936 1.00 0.00 H new ATOM 0 HB2 HIS A 116 21.427 17.085 34.008 1.00 0.00 H new ATOM 0 HB3 HIS A 116 22.273 18.605 33.802 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.846 20.733 33.847 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.684 18.803 37.438 1.00 0.00 H new ATOM 0 HE2 HIS A 116 18.453 20.921 36.044 1.00 0.00 H new ATOM 1942 N HIS A 117 23.117 18.194 31.347 1.00 0.00 N ATOM 1943 CA HIS A 117 24.301 17.595 30.756 1.00 0.00 C ATOM 1944 C HIS A 117 25.083 16.889 31.855 1.00 0.00 C ATOM 1945 O HIS A 117 25.720 15.863 31.632 1.00 0.00 O ATOM 1946 CB HIS A 117 25.168 18.655 30.066 1.00 0.00 C ATOM 1947 CG HIS A 117 26.265 18.079 29.218 1.00 0.00 C ATOM 1948 ND1 HIS A 117 26.185 17.991 27.845 1.00 0.00 N ATOM 1949 CD2 HIS A 117 27.473 17.566 29.554 1.00 0.00 C ATOM 1950 CE1 HIS A 117 27.291 17.448 27.375 1.00 0.00 C ATOM 1951 NE2 HIS A 117 28.089 17.185 28.391 1.00 0.00 N ATOM 0 H HIS A 117 23.250 19.142 31.699 1.00 0.00 H new ATOM 0 HA HIS A 117 24.004 16.876 29.993 1.00 0.00 H new ATOM 0 HB2 HIS A 117 24.531 19.283 29.443 1.00 0.00 H new ATOM 0 HB3 HIS A 117 25.609 19.301 30.825 1.00 0.00 H new ATOM 0 HD2 HIS A 117 27.875 17.474 30.552 1.00 0.00 H new ATOM 0 HE1 HIS A 117 27.506 17.252 26.335 1.00 0.00 H new ATOM 0 HE2 HIS A 117 29.016 16.765 28.322 1.00 0.00 H new ATOM 1960 N HIS A 118 25.006 17.447 33.052 1.00 0.00 N ATOM 1961 CA HIS A 118 25.608 16.846 34.227 1.00 0.00 C ATOM 1962 C HIS A 118 24.528 16.574 35.261 1.00 0.00 C ATOM 1963 O HIS A 118 24.054 15.423 35.344 1.00 0.00 O ATOM 1964 CB HIS A 118 26.688 17.767 34.808 1.00 0.00 C ATOM 1965 CG HIS A 118 27.257 17.290 36.110 1.00 0.00 C ATOM 1966 ND1 HIS A 118 28.084 16.193 36.212 1.00 0.00 N ATOM 1967 CD2 HIS A 118 27.109 17.766 37.370 1.00 0.00 C ATOM 1968 CE1 HIS A 118 28.416 16.015 37.477 1.00 0.00 C ATOM 1969 NE2 HIS A 118 27.839 16.954 38.197 1.00 0.00 N ATOM 1970 OXT HIS A 118 24.134 17.524 35.961 1.00 0.00 O ATOM 0 H HIS A 118 24.525 18.328 33.235 1.00 0.00 H new ATOM 0 HA HIS A 118 26.082 15.905 33.947 1.00 0.00 H new ATOM 0 HB2 HIS A 118 27.496 17.865 34.083 1.00 0.00 H new ATOM 0 HB3 HIS A 118 26.265 18.762 34.950 1.00 0.00 H new ATOM 0 HD2 HIS A 118 26.525 18.625 37.667 1.00 0.00 H new ATOM 0 HE1 HIS A 118 29.054 15.231 37.857 1.00 0.00 H new ATOM 0 HE2 HIS A 118 27.922 17.060 39.208 1.00 0.00 H new TER 1979 HIS A 118