USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 793 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 93 GLN : amide:sc= 0.482 K(o=0.92,f=0) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.442 K(o=0.92,f=-0.27) USER MOD Set 2.1: A 59 GLN :FLIP amide:sc= -0.364 F(o=-1.4,f=-0.59) USER MOD Set 2.2: A 70 HIS : no HE2:sc= -0.222 K(o=-0.59,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.0397 F(o=-1.1,f=-0.04) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.689 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 35 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 73:sc= 0.19 USER MOD Single : A 45 ASN : amide:sc= 0.601 K(o=0.6,f=-0.62) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00487 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.202 K(o=0.2,f=-3.6!) USER MOD Single : A 54 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.92) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.43 F(o=-0.94,f=-0.43) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -120:sc= 1.25 (180deg=-0.797) USER MOD Single : A 80 CYS SG : rot 89:sc= -0.278 USER MOD Single : A 83 SER OG : rot -35:sc= 0.167 USER MOD Single : A 86 THR OG1 : rot -9:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot -59:sc= 1.24 USER MOD Single : A 98 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.057 -22.320 -10.079 1.00 1.00 N ATOM 2 CA MET A 1 3.192 -21.678 -11.094 1.00 1.00 C ATOM 3 C MET A 1 3.773 -20.378 -11.533 1.00 1.00 C ATOM 4 O MET A 1 4.611 -20.310 -12.430 1.00 1.00 O ATOM 5 CB MET A 1 1.779 -21.497 -10.514 1.00 1.00 C ATOM 6 CG MET A 1 0.997 -22.796 -10.302 1.00 1.00 C ATOM 7 SD MET A 1 0.509 -23.612 -11.851 1.00 1.00 S ATOM 8 CE MET A 1 -0.561 -24.818 -11.014 1.00 1.00 C ATOM 0 H1 MET A 1 3.752 -23.304 -9.935 1.00 1.00 H new ATOM 0 H2 MET A 1 5.044 -22.308 -10.407 1.00 1.00 H new ATOM 0 H3 MET A 1 3.984 -21.800 -9.181 1.00 1.00 H new ATOM 0 HA MET A 1 3.128 -22.316 -11.975 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.858 -20.978 -9.559 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.208 -20.851 -11.181 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.604 -23.484 -9.714 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.103 -22.581 -9.717 1.00 1.00 H new ATOM 0 HE1 MET A 1 -1.013 -25.478 -11.754 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.033 -25.408 -10.316 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.345 -24.292 -10.469 1.00 1.00 H new ATOM 17 N ASN A 2 3.358 -19.258 -10.914 1.00 1.00 N ATOM 18 CA ASN A 2 3.818 -17.943 -11.235 1.00 1.00 C ATOM 19 C ASN A 2 4.588 -17.384 -10.088 1.00 1.00 C ATOM 20 O ASN A 2 4.443 -16.221 -9.715 1.00 1.00 O ATOM 21 CB ASN A 2 2.621 -17.050 -11.603 1.00 1.00 C ATOM 22 CG ASN A 2 2.229 -17.272 -13.056 1.00 1.00 C ATOM 23 OD1 ASN A 2 2.774 -16.606 -13.936 1.00 1.00 O ATOM 24 ND2 ASN A 2 1.263 -18.183 -13.352 1.00 1.00 N ATOM 0 H ASN A 2 2.673 -19.270 -10.158 1.00 1.00 H new ATOM 0 HA ASN A 2 4.484 -17.984 -12.097 1.00 1.00 H new ATOM 0 HB2 ASN A 2 1.776 -17.275 -10.952 1.00 1.00 H new ATOM 0 HB3 ASN A 2 2.876 -16.002 -11.443 1.00 1.00 H new ATOM 0 HD21 ASN A 2 0.976 -18.326 -14.320 1.00 1.00 H new ATOM 0 HD22 ASN A 2 0.826 -18.723 -12.606 1.00 1.00 H new ATOM 31 N ASP A 3 5.474 -18.196 -9.485 1.00 1.00 N ATOM 32 CA ASP A 3 6.250 -17.869 -8.328 1.00 1.00 C ATOM 33 C ASP A 3 7.304 -16.849 -8.581 1.00 1.00 C ATOM 34 O ASP A 3 7.293 -15.768 -7.993 1.00 1.00 O ATOM 35 CB ASP A 3 6.784 -19.152 -7.669 1.00 1.00 C ATOM 36 CG ASP A 3 7.513 -20.162 -8.542 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.663 -19.966 -9.778 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.937 -21.211 -7.986 1.00 1.00 O ATOM 0 H ASP A 3 5.660 -19.139 -9.826 1.00 1.00 H new ATOM 0 HA ASP A 3 5.585 -17.380 -7.616 1.00 1.00 H new ATOM 0 HB2 ASP A 3 7.460 -18.857 -6.867 1.00 1.00 H new ATOM 0 HB3 ASP A 3 5.941 -19.662 -7.204 1.00 1.00 H new ATOM 43 N SER A 4 8.206 -17.098 -9.547 1.00 1.00 N ATOM 44 CA SER A 4 9.202 -16.171 -9.990 1.00 1.00 C ATOM 45 C SER A 4 8.609 -14.908 -10.518 1.00 1.00 C ATOM 46 O SER A 4 9.037 -13.813 -10.160 1.00 1.00 O ATOM 47 CB SER A 4 10.106 -16.715 -11.108 1.00 1.00 C ATOM 48 OG SER A 4 11.021 -17.682 -10.613 1.00 1.00 O ATOM 0 H SER A 4 8.243 -17.988 -10.043 1.00 1.00 H new ATOM 0 HA SER A 4 9.791 -15.990 -9.091 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.491 -17.161 -11.890 1.00 1.00 H new ATOM 0 HB3 SER A 4 10.656 -15.893 -11.565 1.00 1.00 H new ATOM 0 HG SER A 4 11.580 -18.010 -11.348 1.00 1.00 H new ATOM 54 N GLU A 5 7.561 -15.043 -11.350 1.00 1.00 N ATOM 55 CA GLU A 5 6.811 -13.985 -11.951 1.00 1.00 C ATOM 56 C GLU A 5 6.312 -12.986 -10.963 1.00 1.00 C ATOM 57 O GLU A 5 6.736 -11.832 -10.977 1.00 1.00 O ATOM 58 CB GLU A 5 5.658 -14.570 -12.782 1.00 1.00 C ATOM 59 CG GLU A 5 6.111 -15.467 -13.937 1.00 1.00 C ATOM 60 CD GLU A 5 6.550 -14.675 -15.161 1.00 1.00 C ATOM 61 OE1 GLU A 5 5.680 -14.380 -16.021 1.00 1.00 O ATOM 62 OE2 GLU A 5 7.758 -14.338 -15.279 1.00 1.00 O ATOM 0 H GLU A 5 7.213 -15.962 -11.622 1.00 1.00 H new ATOM 0 HA GLU A 5 7.489 -13.439 -12.607 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.006 -15.145 -12.124 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.063 -13.751 -13.185 1.00 1.00 H new ATOM 0 HG2 GLU A 5 6.936 -16.095 -13.601 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.295 -16.134 -14.215 1.00 1.00 H new ATOM 69 N PHE A 6 5.437 -13.373 -10.017 1.00 1.00 N ATOM 70 CA PHE A 6 4.969 -12.478 -9.005 1.00 1.00 C ATOM 71 C PHE A 6 6.009 -11.935 -8.087 1.00 1.00 C ATOM 72 O PHE A 6 5.849 -10.814 -7.606 1.00 1.00 O ATOM 73 CB PHE A 6 3.810 -13.090 -8.202 1.00 1.00 C ATOM 74 CG PHE A 6 2.533 -12.703 -8.865 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.188 -13.210 -10.095 1.00 1.00 C ATOM 76 CD2 PHE A 6 1.754 -11.718 -8.304 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.098 -12.720 -10.778 1.00 1.00 C ATOM 78 CE2 PHE A 6 0.674 -11.212 -8.986 1.00 1.00 C ATOM 79 CZ PHE A 6 0.343 -11.715 -10.223 1.00 1.00 C ATOM 0 H PHE A 6 5.051 -14.315 -9.954 1.00 1.00 H new ATOM 0 HA PHE A 6 4.614 -11.615 -9.569 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.905 -14.175 -8.163 1.00 1.00 H new ATOM 0 HB3 PHE A 6 3.829 -12.731 -7.173 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.779 -14.002 -10.531 1.00 1.00 H new ATOM 0 HD2 PHE A 6 1.993 -11.340 -7.321 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.837 -13.123 -11.745 1.00 1.00 H new ATOM 0 HE2 PHE A 6 0.084 -10.419 -8.551 1.00 1.00 H new ATOM 0 HZ PHE A 6 -0.509 -11.321 -10.757 1.00 1.00 H new ATOM 89 N HIS A 7 7.126 -12.646 -7.845 1.00 1.00 N ATOM 90 CA HIS A 7 8.240 -12.124 -7.117 1.00 1.00 C ATOM 91 C HIS A 7 8.884 -10.936 -7.744 1.00 1.00 C ATOM 92 O HIS A 7 9.032 -9.884 -7.123 1.00 1.00 O ATOM 93 CB HIS A 7 9.277 -13.233 -6.873 1.00 1.00 C ATOM 94 CG HIS A 7 9.873 -13.242 -5.496 1.00 1.00 C ATOM 95 ND1 HIS A 7 9.580 -14.043 -4.437 1.00 1.00 N flip ATOM 96 CD2 HIS A 7 10.858 -12.386 -5.084 1.00 1.00 C flip ATOM 97 CE1 HIS A 7 10.396 -13.651 -3.409 1.00 1.00 C flip ATOM 98 NE2 HIS A 7 11.155 -12.654 -3.826 1.00 1.00 N flip ATOM 0 H HIS A 7 7.257 -13.606 -8.163 1.00 1.00 H new ATOM 0 HA HIS A 7 7.837 -11.769 -6.168 1.00 1.00 H new ATOM 0 HB2 HIS A 7 8.806 -14.199 -7.057 1.00 1.00 H new ATOM 0 HB3 HIS A 7 10.081 -13.127 -7.601 1.00 1.00 H new ATOM 0 HD2 HIS A 7 11.317 -11.618 -5.689 1.00 1.00 H new ATOM 0 HE1 HIS A 7 10.415 -14.086 -2.420 1.00 1.00 H new ATOM 0 HE2 HIS A 7 11.857 -12.170 -3.267 1.00 1.00 H new ATOM 106 N ARG A 8 9.262 -11.027 -9.032 1.00 1.00 N ATOM 107 CA ARG A 8 9.894 -9.962 -9.750 1.00 1.00 C ATOM 108 C ARG A 8 8.997 -8.807 -10.033 1.00 1.00 C ATOM 109 O ARG A 8 9.395 -7.649 -9.923 1.00 1.00 O ATOM 110 CB ARG A 8 10.502 -10.455 -11.073 1.00 1.00 C ATOM 111 CG ARG A 8 11.557 -11.551 -10.901 1.00 1.00 C ATOM 112 CD ARG A 8 12.527 -11.682 -12.076 1.00 1.00 C ATOM 113 NE ARG A 8 11.740 -11.936 -13.315 1.00 1.00 N ATOM 114 CZ ARG A 8 12.145 -11.541 -14.558 1.00 1.00 C ATOM 115 NH1 ARG A 8 13.391 -11.032 -14.793 1.00 1.00 N ATOM 116 NH2 ARG A 8 11.292 -11.659 -15.616 1.00 1.00 N ATOM 0 H ARG A 8 9.124 -11.868 -9.592 1.00 1.00 H new ATOM 0 HA ARG A 8 10.681 -9.611 -9.083 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.702 -10.831 -11.711 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.953 -9.609 -11.592 1.00 1.00 H new ATOM 0 HG2 ARG A 8 12.128 -11.350 -9.995 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.052 -12.506 -10.754 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.117 -10.772 -12.183 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.228 -12.498 -11.899 1.00 1.00 H new ATOM 0 HE ARG A 8 10.852 -12.431 -13.231 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.056 -10.936 -14.025 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.656 -10.748 -15.736 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.356 -12.041 -15.477 1.00 1.00 H new ATOM 0 HH22 ARG A 8 11.590 -11.365 -16.546 1.00 1.00 H new ATOM 130 N LEU A 9 7.723 -9.073 -10.373 1.00 1.00 N ATOM 131 CA LEU A 9 6.698 -8.091 -10.551 1.00 1.00 C ATOM 132 C LEU A 9 6.462 -7.262 -9.337 1.00 1.00 C ATOM 133 O LEU A 9 6.322 -6.043 -9.427 1.00 1.00 O ATOM 134 CB LEU A 9 5.388 -8.781 -10.966 1.00 1.00 C ATOM 135 CG LEU A 9 5.371 -9.330 -12.403 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.187 -10.289 -12.617 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.326 -8.202 -13.447 1.00 1.00 C ATOM 0 H LEU A 9 7.391 -10.024 -10.532 1.00 1.00 H new ATOM 0 HA LEU A 9 7.042 -7.415 -11.334 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.193 -9.603 -10.277 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.569 -8.070 -10.855 1.00 1.00 H new ATOM 0 HG LEU A 9 6.301 -9.882 -12.540 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.201 -10.661 -13.641 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.268 -11.127 -11.925 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.252 -9.759 -12.436 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.315 -8.633 -14.448 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.426 -7.605 -13.299 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.205 -7.567 -13.335 1.00 1.00 H new ATOM 149 N ALA A 10 6.456 -7.899 -8.152 1.00 1.00 N ATOM 150 CA ALA A 10 6.322 -7.269 -6.876 1.00 1.00 C ATOM 151 C ALA A 10 7.447 -6.341 -6.573 1.00 1.00 C ATOM 152 O ALA A 10 7.229 -5.199 -6.173 1.00 1.00 O ATOM 153 CB ALA A 10 6.214 -8.321 -5.758 1.00 1.00 C ATOM 0 H ALA A 10 6.550 -8.912 -8.082 1.00 1.00 H new ATOM 0 HA ALA A 10 5.406 -6.680 -6.920 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.113 -7.820 -4.795 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.341 -8.950 -5.933 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.112 -8.939 -5.752 1.00 1.00 H new ATOM 159 N ASP A 11 8.692 -6.787 -6.819 1.00 1.00 N ATOM 160 CA ASP A 11 9.875 -5.995 -6.687 1.00 1.00 C ATOM 161 C ASP A 11 9.817 -4.718 -7.455 1.00 1.00 C ATOM 162 O ASP A 11 9.891 -3.629 -6.889 1.00 1.00 O ATOM 163 CB ASP A 11 11.079 -6.867 -7.080 1.00 1.00 C ATOM 164 CG ASP A 11 12.376 -6.419 -6.422 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.424 -6.342 -5.167 1.00 1.00 O ATOM 166 OD2 ASP A 11 13.390 -6.235 -7.149 1.00 1.00 O ATOM 0 H ASP A 11 8.882 -7.742 -7.123 1.00 1.00 H new ATOM 0 HA ASP A 11 9.975 -5.677 -5.649 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.877 -7.902 -6.805 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.200 -6.843 -8.163 1.00 1.00 H new ATOM 171 N GLN A 12 9.605 -4.789 -8.781 1.00 1.00 N ATOM 172 CA GLN A 12 9.576 -3.627 -9.613 1.00 1.00 C ATOM 173 C GLN A 12 8.481 -2.653 -9.347 1.00 1.00 C ATOM 174 O GLN A 12 8.705 -1.443 -9.390 1.00 1.00 O ATOM 175 CB GLN A 12 9.674 -3.963 -11.111 1.00 1.00 C ATOM 176 CG GLN A 12 8.490 -4.713 -11.724 1.00 1.00 C ATOM 177 CD GLN A 12 8.667 -4.899 -13.224 1.00 1.00 C ATOM 178 OE1 GLN A 12 9.012 -5.970 -13.722 1.00 1.00 O ATOM 179 NE2 GLN A 12 8.422 -3.809 -13.999 1.00 1.00 N ATOM 0 H GLN A 12 9.452 -5.664 -9.282 1.00 1.00 H new ATOM 0 HA GLN A 12 10.483 -3.101 -9.316 1.00 1.00 H new ATOM 0 HB2 GLN A 12 9.809 -3.032 -11.661 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.573 -4.559 -11.268 1.00 1.00 H new ATOM 0 HG2 GLN A 12 8.387 -5.687 -11.245 1.00 1.00 H new ATOM 0 HG3 GLN A 12 7.569 -4.163 -11.530 1.00 1.00 H new ATOM 0 HE21 GLN A 12 8.137 -2.930 -13.567 1.00 1.00 H new ATOM 0 HE22 GLN A 12 8.523 -3.870 -15.012 1.00 1.00 H new ATOM 188 N LEU A 13 7.259 -3.103 -9.008 1.00 1.00 N ATOM 189 CA LEU A 13 6.199 -2.217 -8.638 1.00 1.00 C ATOM 190 C LEU A 13 6.466 -1.470 -7.377 1.00 1.00 C ATOM 191 O LEU A 13 6.275 -0.256 -7.321 1.00 1.00 O ATOM 192 CB LEU A 13 4.827 -2.912 -8.654 1.00 1.00 C ATOM 193 CG LEU A 13 4.418 -3.925 -7.571 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.770 -3.263 -6.342 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.417 -4.946 -8.139 1.00 1.00 C ATOM 0 H LEU A 13 7.004 -4.090 -8.990 1.00 1.00 H new ATOM 0 HA LEU A 13 6.161 -1.452 -9.413 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.074 -2.124 -8.648 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.745 -3.425 -9.612 1.00 1.00 H new ATOM 0 HG LEU A 13 5.341 -4.412 -7.256 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.504 -4.029 -5.614 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.474 -2.564 -5.892 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.872 -2.726 -6.649 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.138 -5.655 -7.359 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.526 -4.425 -8.491 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.876 -5.482 -8.970 1.00 1.00 H new ATOM 207 N TRP A 14 6.989 -2.146 -6.339 1.00 1.00 N ATOM 208 CA TRP A 14 7.429 -1.550 -5.115 1.00 1.00 C ATOM 209 C TRP A 14 8.393 -0.422 -5.265 1.00 1.00 C ATOM 210 O TRP A 14 8.157 0.652 -4.717 1.00 1.00 O ATOM 211 CB TRP A 14 8.032 -2.595 -4.163 1.00 1.00 C ATOM 212 CG TRP A 14 7.029 -3.496 -3.481 1.00 1.00 C ATOM 213 CD1 TRP A 14 5.740 -3.258 -3.101 1.00 1.00 C ATOM 214 CD2 TRP A 14 7.324 -4.848 -3.080 1.00 1.00 C ATOM 215 NE1 TRP A 14 5.198 -4.376 -2.525 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.152 -5.366 -2.516 1.00 1.00 C ATOM 217 CE3 TRP A 14 8.458 -5.605 -3.181 1.00 1.00 C ATOM 218 CZ2 TRP A 14 6.106 -6.661 -2.081 1.00 1.00 C ATOM 219 CZ3 TRP A 14 8.397 -6.907 -2.744 1.00 1.00 C ATOM 220 CH2 TRP A 14 7.242 -7.426 -2.210 1.00 1.00 C ATOM 0 H TRP A 14 7.111 -3.159 -6.354 1.00 1.00 H new ATOM 0 HA TRP A 14 6.517 -1.126 -4.695 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.731 -3.215 -4.725 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.610 -2.076 -3.398 1.00 1.00 H new ATOM 0 HD1 TRP A 14 5.221 -2.321 -3.236 1.00 1.00 H new ATOM 0 HE1 TRP A 14 4.248 -4.460 -2.164 1.00 1.00 H new ATOM 0 HE3 TRP A 14 9.370 -5.195 -3.590 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.205 -7.071 -1.649 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 9.273 -7.534 -2.822 1.00 1.00 H new ATOM 0 HH2 TRP A 14 7.226 -8.456 -1.885 1.00 1.00 H new ATOM 231 N LEU A 15 9.480 -0.600 -6.036 1.00 1.00 N ATOM 232 CA LEU A 15 10.421 0.443 -6.300 1.00 1.00 C ATOM 233 C LEU A 15 9.802 1.628 -6.958 1.00 1.00 C ATOM 234 O LEU A 15 9.990 2.772 -6.548 1.00 1.00 O ATOM 235 CB LEU A 15 11.587 0.033 -7.216 1.00 1.00 C ATOM 236 CG LEU A 15 12.271 -1.301 -6.876 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.371 -1.620 -7.903 1.00 1.00 C ATOM 238 CD2 LEU A 15 12.823 -1.365 -5.441 1.00 1.00 C ATOM 0 H LEU A 15 9.710 -1.486 -6.485 1.00 1.00 H new ATOM 0 HA LEU A 15 10.791 0.678 -5.302 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.217 -0.021 -8.240 1.00 1.00 H new ATOM 0 HB3 LEU A 15 12.339 0.822 -7.190 1.00 1.00 H new ATOM 0 HG LEU A 15 11.495 -2.065 -6.930 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.844 -2.568 -7.647 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.931 -1.692 -8.897 1.00 1.00 H new ATOM 0 HD13 LEU A 15 14.119 -0.827 -7.894 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.291 -2.335 -5.274 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.562 -0.576 -5.300 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.007 -1.229 -4.731 1.00 1.00 H new ATOM 250 N THR A 16 9.018 1.354 -8.016 1.00 1.00 N ATOM 251 CA THR A 16 8.396 2.338 -8.847 1.00 1.00 C ATOM 252 C THR A 16 7.348 3.148 -8.165 1.00 1.00 C ATOM 253 O THR A 16 7.344 4.375 -8.263 1.00 1.00 O ATOM 254 CB THR A 16 7.866 1.755 -10.124 1.00 1.00 C ATOM 255 OG1 THR A 16 8.911 1.071 -10.800 1.00 1.00 O ATOM 256 CG2 THR A 16 7.388 2.859 -11.083 1.00 1.00 C ATOM 0 H THR A 16 8.808 0.399 -8.306 1.00 1.00 H new ATOM 0 HA THR A 16 9.203 3.029 -9.091 1.00 1.00 H new ATOM 0 HB THR A 16 7.041 1.093 -9.861 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.994 0.163 -10.440 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.009 2.406 -11.999 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.594 3.435 -10.608 1.00 1.00 H new ATOM 0 HG23 THR A 16 8.222 3.519 -11.322 1.00 1.00 H new ATOM 264 N ILE A 17 6.430 2.532 -7.400 1.00 1.00 N ATOM 265 CA ILE A 17 5.466 3.191 -6.575 1.00 1.00 C ATOM 266 C ILE A 17 6.105 4.083 -5.568 1.00 1.00 C ATOM 267 O ILE A 17 5.718 5.241 -5.422 1.00 1.00 O ATOM 268 CB ILE A 17 4.527 2.217 -5.924 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.661 1.521 -6.988 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.620 2.886 -4.878 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.878 0.322 -6.452 1.00 1.00 C ATOM 0 H ILE A 17 6.357 1.516 -7.355 1.00 1.00 H new ATOM 0 HA ILE A 17 4.874 3.824 -7.235 1.00 1.00 H new ATOM 0 HB ILE A 17 5.142 1.481 -5.405 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.961 2.245 -7.405 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.301 1.190 -7.806 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.960 2.139 -4.437 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.234 3.334 -4.097 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.021 3.660 -5.358 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.290 -0.118 -7.258 1.00 1.00 H new ATOM 0 HD12 ILE A 17 3.573 -0.421 -6.062 1.00 1.00 H new ATOM 0 HD13 ILE A 17 2.212 0.650 -5.654 1.00 1.00 H new ATOM 283 N GLU A 18 7.153 3.597 -4.878 1.00 1.00 N ATOM 284 CA GLU A 18 7.896 4.373 -3.934 1.00 1.00 C ATOM 285 C GLU A 18 8.501 5.591 -4.544 1.00 1.00 C ATOM 286 O GLU A 18 8.337 6.696 -4.026 1.00 1.00 O ATOM 287 CB GLU A 18 9.017 3.572 -3.250 1.00 1.00 C ATOM 288 CG GLU A 18 9.535 4.232 -1.970 1.00 1.00 C ATOM 289 CD GLU A 18 10.966 3.843 -1.636 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.889 4.226 -2.404 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.202 3.202 -0.576 1.00 1.00 O ATOM 0 H GLU A 18 7.492 2.640 -4.979 1.00 1.00 H new ATOM 0 HA GLU A 18 7.160 4.668 -3.186 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.649 2.574 -3.013 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.845 3.449 -3.948 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.475 5.315 -2.077 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.886 3.957 -1.138 1.00 1.00 H new ATOM 298 N GLU A 19 9.176 5.445 -5.697 1.00 1.00 N ATOM 299 CA GLU A 19 9.781 6.509 -6.438 1.00 1.00 C ATOM 300 C GLU A 19 8.829 7.574 -6.861 1.00 1.00 C ATOM 301 O GLU A 19 9.112 8.755 -6.667 1.00 1.00 O ATOM 302 CB GLU A 19 10.582 6.011 -7.653 1.00 1.00 C ATOM 303 CG GLU A 19 11.424 7.109 -8.302 1.00 1.00 C ATOM 304 CD GLU A 19 12.231 6.643 -9.505 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.230 5.894 -9.339 1.00 1.00 O ATOM 306 OE2 GLU A 19 11.894 7.052 -10.648 1.00 1.00 O ATOM 0 H GLU A 19 9.307 4.534 -6.137 1.00 1.00 H new ATOM 0 HA GLU A 19 10.473 6.960 -5.727 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.235 5.196 -7.342 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.894 5.603 -8.393 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.766 7.921 -8.612 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.106 7.518 -7.556 1.00 1.00 H new ATOM 313 N ARG A 20 7.643 7.219 -7.386 1.00 1.00 N ATOM 314 CA ARG A 20 6.606 8.143 -7.726 1.00 1.00 C ATOM 315 C ARG A 20 6.243 9.032 -6.586 1.00 1.00 C ATOM 316 O ARG A 20 6.220 10.257 -6.714 1.00 1.00 O ATOM 317 CB ARG A 20 5.315 7.466 -8.216 1.00 1.00 C ATOM 318 CG ARG A 20 4.313 8.412 -8.881 1.00 1.00 C ATOM 319 CD ARG A 20 3.353 9.239 -8.022 1.00 1.00 C ATOM 320 NE ARG A 20 2.225 8.384 -7.556 1.00 1.00 N ATOM 321 CZ ARG A 20 0.911 8.624 -7.837 1.00 1.00 C ATOM 322 NH1 ARG A 20 0.485 9.670 -8.604 1.00 1.00 N ATOM 323 NH2 ARG A 20 -0.041 7.700 -7.517 1.00 1.00 N ATOM 0 H ARG A 20 7.396 6.249 -7.582 1.00 1.00 H new ATOM 0 HA ARG A 20 7.033 8.727 -8.541 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.578 6.681 -8.924 1.00 1.00 H new ATOM 0 HB3 ARG A 20 4.830 6.981 -7.369 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.884 9.111 -9.493 1.00 1.00 H new ATOM 0 HG3 ARG A 20 3.706 7.815 -9.561 1.00 1.00 H new ATOM 0 HD2 ARG A 20 3.884 9.655 -7.165 1.00 1.00 H new ATOM 0 HD3 ARG A 20 2.969 10.081 -8.598 1.00 1.00 H new ATOM 0 HE ARG A 20 2.450 7.566 -6.990 1.00 1.00 H new ATOM 0 HH11 ARG A 20 1.163 10.321 -9.000 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -0.511 9.800 -8.781 1.00 1.00 H new ATOM 0 HH21 ARG A 20 0.228 6.826 -7.066 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -1.022 7.884 -7.729 1.00 1.00 H new ATOM 337 N LEU A 21 5.943 8.415 -5.430 1.00 1.00 N ATOM 338 CA LEU A 21 5.502 9.102 -4.255 1.00 1.00 C ATOM 339 C LEU A 21 6.564 9.922 -3.608 1.00 1.00 C ATOM 340 O LEU A 21 6.352 11.102 -3.330 1.00 1.00 O ATOM 341 CB LEU A 21 4.956 8.077 -3.248 1.00 1.00 C ATOM 342 CG LEU A 21 3.694 7.358 -3.754 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.484 6.061 -2.954 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.444 8.251 -3.680 1.00 1.00 C ATOM 0 H LEU A 21 6.009 7.404 -5.308 1.00 1.00 H new ATOM 0 HA LEU A 21 4.724 9.799 -4.568 1.00 1.00 H new ATOM 0 HB2 LEU A 21 5.728 7.338 -3.034 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.729 8.582 -2.309 1.00 1.00 H new ATOM 0 HG LEU A 21 3.845 7.118 -4.806 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.589 5.553 -3.314 1.00 1.00 H new ATOM 0 HD12 LEU A 21 4.348 5.410 -3.083 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.365 6.300 -1.897 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.580 7.698 -4.048 1.00 1.00 H new ATOM 0 HD22 LEU A 21 2.271 8.549 -2.646 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.595 9.139 -4.293 1.00 1.00 H new ATOM 356 N ASP A 22 7.744 9.333 -3.345 1.00 1.00 N ATOM 357 CA ASP A 22 8.855 9.957 -2.698 1.00 1.00 C ATOM 358 C ASP A 22 9.444 11.117 -3.428 1.00 1.00 C ATOM 359 O ASP A 22 9.769 12.134 -2.820 1.00 1.00 O ATOM 360 CB ASP A 22 9.900 8.862 -2.423 1.00 1.00 C ATOM 361 CG ASP A 22 10.918 9.312 -1.384 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.494 9.728 -0.274 1.00 1.00 O ATOM 363 OD2 ASP A 22 12.145 9.287 -1.671 1.00 1.00 O ATOM 0 H ASP A 22 7.933 8.363 -3.600 1.00 1.00 H new ATOM 0 HA ASP A 22 8.495 10.407 -1.773 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.399 7.958 -2.076 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.413 8.606 -3.350 1.00 1.00 H new ATOM 368 N ASP A 23 9.607 11.045 -4.761 1.00 1.00 N ATOM 369 CA ASP A 23 10.182 12.105 -5.530 1.00 1.00 C ATOM 370 C ASP A 23 9.263 13.265 -5.704 1.00 1.00 C ATOM 371 O ASP A 23 9.700 14.403 -5.866 1.00 1.00 O ATOM 372 CB ASP A 23 10.663 11.571 -6.892 1.00 1.00 C ATOM 373 CG ASP A 23 11.607 12.534 -7.595 1.00 1.00 C ATOM 374 OD1 ASP A 23 12.709 12.806 -7.049 1.00 1.00 O ATOM 375 OD2 ASP A 23 11.277 13.013 -8.713 1.00 1.00 O ATOM 0 H ASP A 23 9.334 10.234 -5.316 1.00 1.00 H new ATOM 0 HA ASP A 23 11.038 12.480 -4.968 1.00 1.00 H new ATOM 0 HB2 ASP A 23 11.166 10.615 -6.747 1.00 1.00 H new ATOM 0 HB3 ASP A 23 9.800 11.383 -7.530 1.00 1.00 H new ATOM 380 N TRP A 24 7.935 13.062 -5.649 1.00 1.00 N ATOM 381 CA TRP A 24 6.985 14.125 -5.755 1.00 1.00 C ATOM 382 C TRP A 24 6.947 14.984 -4.537 1.00 1.00 C ATOM 383 O TRP A 24 6.974 14.513 -3.401 1.00 1.00 O ATOM 384 CB TRP A 24 5.594 13.575 -6.109 1.00 1.00 C ATOM 385 CG TRP A 24 4.533 14.612 -6.390 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.395 14.879 -5.688 1.00 1.00 C ATOM 387 CD2 TRP A 24 4.583 15.572 -7.463 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.718 15.920 -6.266 1.00 1.00 N ATOM 389 CE2 TRP A 24 3.440 16.374 -7.345 1.00 1.00 C ATOM 390 CE3 TRP A 24 5.487 15.785 -8.466 1.00 1.00 C ATOM 391 CZ2 TRP A 24 3.194 17.383 -8.235 1.00 1.00 C ATOM 392 CZ3 TRP A 24 5.236 16.813 -9.345 1.00 1.00 C ATOM 393 CH2 TRP A 24 4.110 17.595 -9.240 1.00 1.00 C ATOM 0 H TRP A 24 7.513 12.141 -5.529 1.00 1.00 H new ATOM 0 HA TRP A 24 7.312 14.772 -6.569 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.689 12.933 -6.984 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.252 12.945 -5.287 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.074 14.347 -4.805 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.825 16.297 -5.948 1.00 1.00 H new ATOM 0 HE3 TRP A 24 6.368 15.168 -8.565 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 2.308 17.995 -8.152 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 5.942 17.011 -10.138 1.00 1.00 H new ATOM 0 HH2 TRP A 24 3.942 18.386 -9.956 1.00 1.00 H new ATOM 404 N ASP A 25 6.893 16.314 -4.731 1.00 1.00 N ATOM 405 CA ASP A 25 6.836 17.280 -3.678 1.00 1.00 C ATOM 406 C ASP A 25 5.860 18.325 -4.100 1.00 1.00 C ATOM 407 O ASP A 25 5.681 18.579 -5.288 1.00 1.00 O ATOM 408 CB ASP A 25 8.237 17.851 -3.406 1.00 1.00 C ATOM 409 CG ASP A 25 8.300 18.731 -2.165 1.00 1.00 C ATOM 410 OD1 ASP A 25 7.862 18.276 -1.076 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.794 19.888 -2.251 1.00 1.00 O ATOM 0 H ASP A 25 6.889 16.734 -5.661 1.00 1.00 H new ATOM 0 HA ASP A 25 6.505 16.837 -2.738 1.00 1.00 H new ATOM 0 HB2 ASP A 25 8.942 17.027 -3.294 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.559 18.431 -4.271 1.00 1.00 H new ATOM 416 N GLY A 26 5.176 18.969 -3.137 1.00 1.00 N ATOM 417 CA GLY A 26 4.142 19.908 -3.442 1.00 1.00 C ATOM 418 C GLY A 26 3.807 20.758 -2.263 1.00 1.00 C ATOM 419 O GLY A 26 4.660 21.450 -1.711 1.00 1.00 O ATOM 0 H GLY A 26 5.341 18.837 -2.139 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.458 20.542 -4.270 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.251 19.374 -3.772 1.00 1.00 H new ATOM 423 N ASP A 27 2.529 20.719 -1.849 1.00 1.00 N ATOM 424 CA ASP A 27 2.027 21.326 -0.656 1.00 1.00 C ATOM 425 C ASP A 27 2.083 20.325 0.447 1.00 1.00 C ATOM 426 O ASP A 27 2.300 20.637 1.616 1.00 1.00 O ATOM 427 CB ASP A 27 0.586 21.788 -0.930 1.00 1.00 C ATOM 428 CG ASP A 27 0.204 23.048 -0.164 1.00 1.00 C ATOM 429 OD1 ASP A 27 1.066 23.962 -0.078 1.00 1.00 O ATOM 430 OD2 ASP A 27 -0.970 23.186 0.271 1.00 1.00 O ATOM 0 H ASP A 27 1.804 20.235 -2.378 1.00 1.00 H new ATOM 0 HA ASP A 27 2.622 22.190 -0.360 1.00 1.00 H new ATOM 0 HB2 ASP A 27 0.466 21.970 -1.998 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -0.103 20.986 -0.664 1.00 1.00 H new ATOM 435 N SER A 28 1.901 19.044 0.083 1.00 1.00 N ATOM 436 CA SER A 28 1.922 17.904 0.945 1.00 1.00 C ATOM 437 C SER A 28 3.266 17.259 0.969 1.00 1.00 C ATOM 438 O SER A 28 4.134 17.548 0.147 1.00 1.00 O ATOM 439 CB SER A 28 0.865 16.862 0.541 1.00 1.00 C ATOM 440 OG SER A 28 0.916 16.553 -0.844 1.00 1.00 O ATOM 0 H SER A 28 1.726 18.787 -0.888 1.00 1.00 H new ATOM 0 HA SER A 28 1.687 18.271 1.944 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.016 15.951 1.120 1.00 1.00 H new ATOM 0 HB3 SER A 28 -0.127 17.238 0.791 1.00 1.00 H new ATOM 0 HG SER A 28 0.229 15.887 -1.056 1.00 1.00 H new ATOM 446 N ASP A 29 3.492 16.351 1.936 1.00 1.00 N ATOM 447 CA ASP A 29 4.696 15.592 2.074 1.00 1.00 C ATOM 448 C ASP A 29 4.352 14.156 2.273 1.00 1.00 C ATOM 449 O ASP A 29 3.181 13.777 2.291 1.00 1.00 O ATOM 450 CB ASP A 29 5.540 16.182 3.219 1.00 1.00 C ATOM 451 CG ASP A 29 7.030 15.976 2.990 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.531 14.843 3.220 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.720 16.934 2.549 1.00 1.00 O ATOM 0 H ASP A 29 2.802 16.136 2.656 1.00 1.00 H new ATOM 0 HA ASP A 29 5.303 15.650 1.171 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.331 17.248 3.312 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.250 15.717 4.161 1.00 1.00 H new ATOM 458 N ILE A 30 5.368 13.284 2.400 1.00 1.00 N ATOM 459 CA ILE A 30 5.307 11.891 2.091 1.00 1.00 C ATOM 460 C ILE A 30 6.388 11.223 2.868 1.00 1.00 C ATOM 461 O ILE A 30 7.525 11.683 2.968 1.00 1.00 O ATOM 462 CB ILE A 30 5.449 11.659 0.615 1.00 1.00 C ATOM 463 CG1 ILE A 30 5.228 10.198 0.187 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.786 12.188 0.070 1.00 1.00 C ATOM 465 CD1 ILE A 30 3.780 9.732 0.328 1.00 1.00 C ATOM 0 H ILE A 30 6.286 13.570 2.739 1.00 1.00 H new ATOM 0 HA ILE A 30 4.339 11.473 2.366 1.00 1.00 H new ATOM 0 HB ILE A 30 4.641 12.236 0.166 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.539 10.081 -0.851 1.00 1.00 H new ATOM 0 HG13 ILE A 30 5.869 9.552 0.786 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.843 11.997 -1.002 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.854 13.261 0.252 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.610 11.682 0.573 1.00 1.00 H new ATOM 0 HD11 ILE A 30 3.699 8.693 0.008 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.471 9.816 1.370 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.136 10.354 -0.293 1.00 1.00 H new ATOM 477 N ASP A 31 6.055 10.094 3.517 1.00 1.00 N ATOM 478 CA ASP A 31 7.017 9.154 4.000 1.00 1.00 C ATOM 479 C ASP A 31 6.480 7.772 3.848 1.00 1.00 C ATOM 480 O ASP A 31 5.566 7.343 4.552 1.00 1.00 O ATOM 481 CB ASP A 31 7.460 9.462 5.441 1.00 1.00 C ATOM 482 CG ASP A 31 8.872 8.959 5.705 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.846 9.692 5.391 1.00 1.00 O ATOM 484 OD2 ASP A 31 9.032 7.823 6.226 1.00 1.00 O ATOM 0 H ASP A 31 5.090 9.827 3.711 1.00 1.00 H new ATOM 0 HA ASP A 31 7.922 9.238 3.398 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.416 10.537 5.615 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.769 8.997 6.144 1.00 1.00 H new ATOM 489 N CYS A 32 7.008 7.009 2.875 1.00 1.00 N ATOM 490 CA CYS A 32 6.675 5.636 2.650 1.00 1.00 C ATOM 491 C CYS A 32 7.581 4.731 3.411 1.00 1.00 C ATOM 492 O CYS A 32 8.802 4.882 3.428 1.00 1.00 O ATOM 493 CB CYS A 32 6.725 5.327 1.142 1.00 1.00 C ATOM 494 SG CYS A 32 5.509 6.288 0.192 1.00 1.00 S ATOM 0 H CYS A 32 7.699 7.365 2.215 1.00 1.00 H new ATOM 0 HA CYS A 32 5.662 5.460 3.011 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.725 5.539 0.764 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.544 4.263 0.986 1.00 1.00 H new ATOM 0 HG CYS A 32 5.604 5.983 -1.068 1.00 1.00 H new ATOM 500 N GLU A 33 6.981 3.746 4.103 1.00 1.00 N ATOM 501 CA GLU A 33 7.592 2.907 5.086 1.00 1.00 C ATOM 502 C GLU A 33 7.781 1.537 4.532 1.00 1.00 C ATOM 503 O GLU A 33 6.867 0.967 3.939 1.00 1.00 O ATOM 504 CB GLU A 33 6.721 2.847 6.355 1.00 1.00 C ATOM 505 CG GLU A 33 7.163 1.821 7.402 1.00 1.00 C ATOM 506 CD GLU A 33 6.381 1.934 8.702 1.00 1.00 C ATOM 507 OE1 GLU A 33 5.123 1.857 8.673 1.00 1.00 O ATOM 508 OE2 GLU A 33 7.018 2.066 9.781 1.00 1.00 O ATOM 0 H GLU A 33 5.996 3.521 3.964 1.00 1.00 H new ATOM 0 HA GLU A 33 8.564 3.324 5.350 1.00 1.00 H new ATOM 0 HB2 GLU A 33 6.713 3.834 6.818 1.00 1.00 H new ATOM 0 HB3 GLU A 33 5.695 2.624 6.062 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.040 0.817 6.995 1.00 1.00 H new ATOM 0 HG3 GLU A 33 8.225 1.954 7.609 1.00 1.00 H new ATOM 515 N ILE A 34 8.988 0.965 4.692 1.00 1.00 N ATOM 516 CA ILE A 34 9.418 -0.265 4.107 1.00 1.00 C ATOM 517 C ILE A 34 9.704 -1.229 5.206 1.00 1.00 C ATOM 518 O ILE A 34 10.656 -1.142 5.980 1.00 1.00 O ATOM 519 CB ILE A 34 10.576 -0.060 3.176 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.251 -1.369 2.732 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.611 0.918 3.756 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.335 -2.323 1.967 1.00 1.00 C ATOM 0 H ILE A 34 9.711 1.393 5.270 1.00 1.00 H new ATOM 0 HA ILE A 34 8.629 -0.682 3.481 1.00 1.00 H new ATOM 0 HB ILE A 34 10.146 0.385 2.279 1.00 1.00 H new ATOM 0 HG12 ILE A 34 12.109 -1.127 2.104 1.00 1.00 H new ATOM 0 HG13 ILE A 34 11.636 -1.882 3.613 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.433 1.038 3.050 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.139 1.885 3.932 1.00 1.00 H new ATOM 0 HG23 ILE A 34 11.995 0.525 4.697 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.891 -3.219 1.692 1.00 1.00 H new ATOM 0 HD12 ILE A 34 9.490 -2.599 2.597 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.970 -1.832 1.065 1.00 1.00 H new ATOM 534 N ASN A 35 8.810 -2.230 5.305 1.00 1.00 N ATOM 535 CA ASN A 35 8.911 -3.351 6.186 1.00 1.00 C ATOM 536 C ASN A 35 9.221 -4.560 5.371 1.00 1.00 C ATOM 537 O ASN A 35 8.346 -5.368 5.067 1.00 1.00 O ATOM 538 CB ASN A 35 7.606 -3.472 6.989 1.00 1.00 C ATOM 539 CG ASN A 35 7.524 -4.613 7.993 1.00 1.00 C ATOM 540 OD1 ASN A 35 6.457 -5.188 8.205 1.00 1.00 O ATOM 541 ND2 ASN A 35 8.655 -4.971 8.655 1.00 1.00 N ATOM 0 H ASN A 35 7.965 -2.257 4.734 1.00 1.00 H new ATOM 0 HA ASN A 35 9.716 -3.232 6.911 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.448 -2.536 7.524 1.00 1.00 H new ATOM 0 HB3 ASN A 35 6.782 -3.579 6.284 1.00 1.00 H new ATOM 0 HD21 ASN A 35 8.628 -5.727 9.340 1.00 1.00 H new ATOM 0 HD22 ASN A 35 9.531 -4.484 8.467 1.00 1.00 H new ATOM 548 N GLY A 36 10.491 -4.751 4.970 1.00 1.00 N ATOM 549 CA GLY A 36 10.963 -5.925 4.305 1.00 1.00 C ATOM 550 C GLY A 36 10.577 -6.034 2.870 1.00 1.00 C ATOM 551 O GLY A 36 11.354 -5.740 1.963 1.00 1.00 O ATOM 0 H GLY A 36 11.222 -4.055 5.116 1.00 1.00 H new ATOM 0 HA2 GLY A 36 12.050 -5.952 4.376 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.587 -6.800 4.834 1.00 1.00 H new ATOM 555 N GLY A 37 9.328 -6.474 2.630 1.00 1.00 N ATOM 556 CA GLY A 37 8.704 -6.528 1.345 1.00 1.00 C ATOM 557 C GLY A 37 7.264 -6.173 1.490 1.00 1.00 C ATOM 558 O GLY A 37 6.381 -6.758 0.867 1.00 1.00 O ATOM 0 H GLY A 37 8.720 -6.811 3.376 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.195 -5.838 0.659 1.00 1.00 H new ATOM 0 HA3 GLY A 37 8.805 -7.526 0.919 1.00 1.00 H new ATOM 562 N VAL A 38 6.976 -5.209 2.383 1.00 1.00 N ATOM 563 CA VAL A 38 5.674 -4.667 2.625 1.00 1.00 C ATOM 564 C VAL A 38 5.882 -3.192 2.649 1.00 1.00 C ATOM 565 O VAL A 38 6.638 -2.685 3.477 1.00 1.00 O ATOM 566 CB VAL A 38 5.154 -5.137 3.952 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.828 -4.441 4.302 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.961 -6.663 3.933 1.00 1.00 C ATOM 0 H VAL A 38 7.694 -4.783 2.970 1.00 1.00 H new ATOM 0 HA VAL A 38 4.949 -4.974 1.871 1.00 1.00 H new ATOM 0 HB VAL A 38 5.887 -4.878 4.716 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.473 -4.799 5.268 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.984 -3.363 4.350 1.00 1.00 H new ATOM 0 HG13 VAL A 38 3.086 -4.666 3.536 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.583 -6.994 4.900 1.00 1.00 H new ATOM 0 HG22 VAL A 38 4.247 -6.930 3.154 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.916 -7.148 3.731 1.00 1.00 H new ATOM 578 N LEU A 39 5.261 -2.438 1.724 1.00 1.00 N ATOM 579 CA LEU A 39 5.341 -1.010 1.692 1.00 1.00 C ATOM 580 C LEU A 39 4.044 -0.375 2.061 1.00 1.00 C ATOM 581 O LEU A 39 2.950 -0.784 1.677 1.00 1.00 O ATOM 582 CB LEU A 39 5.857 -0.494 0.339 1.00 1.00 C ATOM 583 CG LEU A 39 7.393 -0.431 0.335 1.00 1.00 C ATOM 584 CD1 LEU A 39 7.990 -0.979 -0.973 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.891 1.003 0.580 1.00 1.00 C ATOM 0 H LEU A 39 4.688 -2.832 0.978 1.00 1.00 H new ATOM 0 HA LEU A 39 6.071 -0.718 2.447 1.00 1.00 H new ATOM 0 HB2 LEU A 39 5.512 -1.149 -0.462 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.446 0.496 0.140 1.00 1.00 H new ATOM 0 HG LEU A 39 7.734 -1.067 1.152 1.00 1.00 H new ATOM 0 HD11 LEU A 39 9.077 -0.915 -0.932 1.00 1.00 H new ATOM 0 HD12 LEU A 39 7.692 -2.020 -1.101 1.00 1.00 H new ATOM 0 HD13 LEU A 39 7.624 -0.391 -1.815 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.981 1.016 0.572 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.514 1.658 -0.205 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.531 1.353 1.548 1.00 1.00 H new ATOM 597 N THR A 40 4.171 0.680 2.886 1.00 1.00 N ATOM 598 CA THR A 40 3.074 1.325 3.537 1.00 1.00 C ATOM 599 C THR A 40 3.274 2.789 3.334 1.00 1.00 C ATOM 600 O THR A 40 4.336 3.342 3.615 1.00 1.00 O ATOM 601 CB THR A 40 2.998 1.064 5.012 1.00 1.00 C ATOM 602 OG1 THR A 40 3.584 -0.182 5.358 1.00 1.00 O ATOM 603 CG2 THR A 40 1.519 0.965 5.422 1.00 1.00 C ATOM 0 H THR A 40 5.074 1.100 3.108 1.00 1.00 H new ATOM 0 HA THR A 40 2.149 0.937 3.111 1.00 1.00 H new ATOM 0 HB THR A 40 3.525 1.876 5.512 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.518 -0.317 6.326 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.450 0.775 6.493 1.00 1.00 H new ATOM 0 HG22 THR A 40 1.013 1.901 5.186 1.00 1.00 H new ATOM 0 HG23 THR A 40 1.044 0.149 4.878 1.00 1.00 H new ATOM 611 N ILE A 41 2.259 3.473 2.776 1.00 1.00 N ATOM 612 CA ILE A 41 2.400 4.821 2.322 1.00 1.00 C ATOM 613 C ILE A 41 1.830 5.710 3.372 1.00 1.00 C ATOM 614 O ILE A 41 0.753 5.403 3.880 1.00 1.00 O ATOM 615 CB ILE A 41 1.688 4.999 1.012 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.327 4.077 -0.039 1.00 1.00 C ATOM 617 CG2 ILE A 41 1.689 6.470 0.564 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.503 3.916 -1.316 1.00 1.00 C ATOM 0 H ILE A 41 1.326 3.084 2.638 1.00 1.00 H new ATOM 0 HA ILE A 41 3.448 5.071 2.157 1.00 1.00 H new ATOM 0 HB ILE A 41 0.642 4.719 1.133 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.309 4.470 -0.301 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.485 3.094 0.404 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.165 6.561 -0.388 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.186 7.079 1.315 1.00 1.00 H new ATOM 0 HG23 ILE A 41 2.717 6.814 0.447 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.024 3.251 -2.004 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.529 3.493 -1.070 1.00 1.00 H new ATOM 0 HD13 ILE A 41 1.367 4.890 -1.786 1.00 1.00 H new ATOM 630 N THR A 42 2.531 6.798 3.741 1.00 1.00 N ATOM 631 CA THR A 42 2.010 7.760 4.663 1.00 1.00 C ATOM 632 C THR A 42 2.164 9.160 4.179 1.00 1.00 C ATOM 633 O THR A 42 3.264 9.610 3.863 1.00 1.00 O ATOM 634 CB THR A 42 2.570 7.753 6.055 1.00 1.00 C ATOM 635 OG1 THR A 42 3.236 6.539 6.371 1.00 1.00 O ATOM 636 CG2 THR A 42 1.392 7.912 7.030 1.00 1.00 C ATOM 0 H THR A 42 3.467 7.012 3.397 1.00 1.00 H new ATOM 0 HA THR A 42 0.971 7.435 4.715 1.00 1.00 H new ATOM 0 HB THR A 42 3.296 8.562 6.132 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.091 6.501 5.894 1.00 1.00 H new ATOM 0 HG21 THR A 42 1.765 7.911 8.054 1.00 1.00 H new ATOM 0 HG22 THR A 42 0.880 8.853 6.831 1.00 1.00 H new ATOM 0 HG23 THR A 42 0.695 7.085 6.897 1.00 1.00 H new ATOM 644 N PHE A 43 1.059 9.926 4.146 1.00 1.00 N ATOM 645 CA PHE A 43 1.024 11.320 3.825 1.00 1.00 C ATOM 646 C PHE A 43 0.748 12.107 5.061 1.00 1.00 C ATOM 647 O PHE A 43 0.319 11.567 6.080 1.00 1.00 O ATOM 648 CB PHE A 43 -0.016 11.690 2.756 1.00 1.00 C ATOM 649 CG PHE A 43 -0.646 10.529 2.065 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.615 9.798 2.711 1.00 1.00 C ATOM 651 CD2 PHE A 43 -0.303 10.192 0.778 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.210 8.724 2.092 1.00 1.00 C ATOM 653 CE2 PHE A 43 -0.919 9.143 0.137 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.875 8.408 0.797 1.00 1.00 C ATOM 0 H PHE A 43 0.135 9.549 4.356 1.00 1.00 H new ATOM 0 HA PHE A 43 2.002 11.560 3.407 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -0.800 12.285 3.224 1.00 1.00 H new ATOM 0 HB3 PHE A 43 0.462 12.323 2.009 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.911 10.070 3.713 1.00 1.00 H new ATOM 0 HD2 PHE A 43 0.460 10.758 0.264 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -2.939 8.130 2.622 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.653 8.898 -0.881 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.362 7.583 0.298 1.00 1.00 H new ATOM 664 N GLU A 44 0.928 13.439 5.018 1.00 1.00 N ATOM 665 CA GLU A 44 0.709 14.354 6.094 1.00 1.00 C ATOM 666 C GLU A 44 -0.643 14.353 6.720 1.00 1.00 C ATOM 667 O GLU A 44 -0.802 14.679 7.896 1.00 1.00 O ATOM 668 CB GLU A 44 0.964 15.786 5.595 1.00 1.00 C ATOM 669 CG GLU A 44 2.431 16.067 5.264 1.00 1.00 C ATOM 670 CD GLU A 44 2.687 17.553 5.057 1.00 1.00 C ATOM 671 OE1 GLU A 44 1.787 18.280 4.556 1.00 1.00 O ATOM 672 OE2 GLU A 44 3.800 18.021 5.417 1.00 1.00 O ATOM 0 H GLU A 44 1.249 13.908 4.171 1.00 1.00 H new ATOM 0 HA GLU A 44 1.400 14.013 6.865 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.359 15.965 4.706 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.630 16.492 6.356 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.063 15.698 6.071 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.712 15.520 4.364 1.00 1.00 H new ATOM 679 N ASN A 45 -1.679 13.949 5.964 1.00 1.00 N ATOM 680 CA ASN A 45 -3.036 13.805 6.392 1.00 1.00 C ATOM 681 C ASN A 45 -3.204 12.758 7.438 1.00 1.00 C ATOM 682 O ASN A 45 -4.201 12.728 8.158 1.00 1.00 O ATOM 683 CB ASN A 45 -3.867 13.486 5.137 1.00 1.00 C ATOM 684 CG ASN A 45 -5.353 13.786 5.279 1.00 1.00 C ATOM 685 OD1 ASN A 45 -5.844 14.288 6.288 1.00 1.00 O ATOM 686 ND2 ASN A 45 -6.113 13.510 4.185 1.00 1.00 N ATOM 0 H ASN A 45 -1.558 13.705 4.981 1.00 1.00 H new ATOM 0 HA ASN A 45 -3.374 14.728 6.863 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.471 14.058 4.298 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.743 12.431 4.891 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -7.111 13.720 4.191 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.685 13.093 3.358 1.00 1.00 H new ATOM 693 N GLY A 46 -2.228 11.846 7.592 1.00 1.00 N ATOM 694 CA GLY A 46 -2.219 10.832 8.602 1.00 1.00 C ATOM 695 C GLY A 46 -2.747 9.541 8.078 1.00 1.00 C ATOM 696 O GLY A 46 -2.728 8.511 8.750 1.00 1.00 O ATOM 0 H GLY A 46 -1.408 11.813 6.986 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.202 10.690 8.968 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.821 11.156 9.451 1.00 1.00 H new ATOM 700 N SER A 47 -3.248 9.596 6.831 1.00 1.00 N ATOM 701 CA SER A 47 -3.858 8.543 6.079 1.00 1.00 C ATOM 702 C SER A 47 -2.832 7.635 5.489 1.00 1.00 C ATOM 703 O SER A 47 -1.643 7.945 5.463 1.00 1.00 O ATOM 704 CB SER A 47 -4.735 9.115 4.954 1.00 1.00 C ATOM 705 OG SER A 47 -5.219 10.412 5.269 1.00 1.00 O ATOM 0 H SER A 47 -3.222 10.466 6.299 1.00 1.00 H new ATOM 0 HA SER A 47 -4.480 7.971 6.768 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.159 9.157 4.030 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.577 8.447 4.774 1.00 1.00 H new ATOM 0 HG SER A 47 -5.771 10.744 4.530 1.00 1.00 H new ATOM 711 N LYS A 48 -3.244 6.453 4.996 1.00 1.00 N ATOM 712 CA LYS A 48 -2.313 5.392 4.763 1.00 1.00 C ATOM 713 C LYS A 48 -2.782 4.397 3.759 1.00 1.00 C ATOM 714 O LYS A 48 -3.978 4.144 3.618 1.00 1.00 O ATOM 715 CB LYS A 48 -1.964 4.693 6.088 1.00 1.00 C ATOM 716 CG LYS A 48 -3.162 4.134 6.857 1.00 1.00 C ATOM 717 CD LYS A 48 -2.904 3.943 8.354 1.00 1.00 C ATOM 718 CE LYS A 48 -2.837 5.257 9.136 1.00 1.00 C ATOM 719 NZ LYS A 48 -2.544 5.020 10.567 1.00 1.00 N ATOM 0 H LYS A 48 -4.212 6.233 4.761 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.420 5.852 4.340 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.272 3.877 5.880 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.439 5.402 6.728 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -4.010 4.806 6.727 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -3.445 3.176 6.422 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -3.694 3.320 8.774 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.967 3.403 8.487 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -2.067 5.899 8.707 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -3.784 5.788 9.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -2.505 5.930 11.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -3.292 4.428 10.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.628 4.535 10.658 1.00 1.00 H new ATOM 733 N ILE A 49 -1.839 3.803 3.007 1.00 1.00 N ATOM 734 CA ILE A 49 -2.090 2.763 2.058 1.00 1.00 C ATOM 735 C ILE A 49 -1.222 1.624 2.469 1.00 1.00 C ATOM 736 O ILE A 49 -0.091 1.876 2.881 1.00 1.00 O ATOM 737 CB ILE A 49 -1.672 3.089 0.657 1.00 1.00 C ATOM 738 CG1 ILE A 49 -2.009 4.535 0.251 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.221 2.074 -0.360 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.502 4.846 0.173 1.00 1.00 C ATOM 0 H ILE A 49 -0.854 4.060 3.063 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.164 2.576 2.054 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.585 3.010 0.644 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.547 5.215 0.966 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.558 4.739 -0.720 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.893 2.350 -1.362 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.849 1.078 -0.117 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.310 2.074 -0.322 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.642 5.887 -0.120 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.971 4.195 -0.565 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.960 4.679 1.148 1.00 1.00 H new ATOM 752 N ILE A 50 -1.654 0.354 2.357 1.00 1.00 N ATOM 753 CA ILE A 50 -0.818 -0.766 2.654 1.00 1.00 C ATOM 754 C ILE A 50 -0.795 -1.707 1.500 1.00 1.00 C ATOM 755 O ILE A 50 -1.824 -2.079 0.936 1.00 1.00 O ATOM 756 CB ILE A 50 -1.201 -1.356 3.979 1.00 1.00 C ATOM 757 CG1 ILE A 50 -0.470 -2.674 4.290 1.00 1.00 C ATOM 758 CG2 ILE A 50 -2.714 -1.608 4.103 1.00 1.00 C ATOM 759 CD1 ILE A 50 1.033 -2.515 4.515 1.00 1.00 C ATOM 0 H ILE A 50 -2.596 0.103 2.056 1.00 1.00 H new ATOM 0 HA ILE A 50 0.221 -0.462 2.779 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.896 -0.600 4.703 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -0.914 -3.123 5.179 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -0.632 -3.370 3.467 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.933 -2.035 5.082 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -3.250 -0.666 3.990 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -3.032 -2.302 3.325 1.00 1.00 H new ATOM 0 HD11 ILE A 50 1.474 -3.489 4.728 1.00 1.00 H new ATOM 0 HD12 ILE A 50 1.493 -2.097 3.619 1.00 1.00 H new ATOM 0 HD13 ILE A 50 1.206 -1.846 5.358 1.00 1.00 H new ATOM 771 N ILE A 51 0.428 -2.075 1.080 1.00 1.00 N ATOM 772 CA ILE A 51 0.755 -2.916 -0.029 1.00 1.00 C ATOM 773 C ILE A 51 1.612 -4.058 0.397 1.00 1.00 C ATOM 774 O ILE A 51 2.680 -3.912 0.991 1.00 1.00 O ATOM 775 CB ILE A 51 1.438 -2.176 -1.141 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.633 -0.891 -1.400 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.547 -3.072 -2.385 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.900 -0.235 -2.755 1.00 1.00 C ATOM 0 H ILE A 51 1.266 -1.752 1.564 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.196 -3.290 -0.409 1.00 1.00 H new ATOM 0 HB ILE A 51 2.460 -1.905 -0.875 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.430 -1.123 -1.326 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.858 -0.172 -0.612 1.00 1.00 H new ATOM 0 HG21 ILE A 51 2.044 -2.524 -3.185 1.00 1.00 H new ATOM 0 HG22 ILE A 51 2.125 -3.964 -2.142 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.549 -3.365 -2.711 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.290 0.663 -2.851 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.954 0.033 -2.828 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.646 -0.933 -3.553 1.00 1.00 H new ATOM 790 N ASN A 52 1.140 -5.277 0.080 1.00 1.00 N ATOM 791 CA ASN A 52 1.655 -6.560 0.445 1.00 1.00 C ATOM 792 C ASN A 52 1.067 -7.497 -0.552 1.00 1.00 C ATOM 793 O ASN A 52 0.297 -7.111 -1.430 1.00 1.00 O ATOM 794 CB ASN A 52 1.351 -6.833 1.928 1.00 1.00 C ATOM 795 CG ASN A 52 1.842 -8.160 2.488 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.733 -8.804 1.937 1.00 1.00 O ATOM 797 ND2 ASN A 52 1.297 -8.586 3.658 1.00 1.00 N ATOM 0 H ASN A 52 0.304 -5.370 -0.497 1.00 1.00 H new ATOM 0 HA ASN A 52 2.739 -6.663 0.400 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.790 -6.030 2.520 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.272 -6.781 2.070 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.627 -9.449 4.090 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.559 -8.042 4.104 1.00 1.00 H new ATOM 804 N ARG A 53 1.485 -8.776 -0.549 1.00 1.00 N ATOM 805 CA ARG A 53 1.421 -9.586 -1.725 1.00 1.00 C ATOM 806 C ARG A 53 1.310 -11.042 -1.433 1.00 1.00 C ATOM 807 O ARG A 53 1.826 -11.547 -0.435 1.00 1.00 O ATOM 808 CB ARG A 53 2.663 -9.198 -2.548 1.00 1.00 C ATOM 809 CG ARG A 53 3.316 -10.167 -3.536 1.00 1.00 C ATOM 810 CD ARG A 53 4.199 -11.301 -3.010 1.00 1.00 C ATOM 811 NE ARG A 53 5.076 -10.747 -1.939 1.00 1.00 N ATOM 812 CZ ARG A 53 6.294 -11.226 -1.554 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.989 -12.215 -2.189 1.00 1.00 N ATOM 814 NH2 ARG A 53 6.850 -10.674 -0.435 1.00 1.00 N ATOM 0 H ARG A 53 1.868 -9.249 0.270 1.00 1.00 H new ATOM 0 HA ARG A 53 0.510 -9.399 -2.293 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.399 -8.304 -3.113 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.435 -8.909 -1.835 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.518 -10.621 -4.124 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.920 -9.575 -4.223 1.00 1.00 H new ATOM 0 HD2 ARG A 53 3.584 -12.111 -2.617 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.801 -11.720 -3.816 1.00 1.00 H new ATOM 0 HE ARG A 53 4.730 -9.926 -1.443 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.601 -12.657 -3.022 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.897 -12.512 -1.830 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.356 -9.939 0.071 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.759 -10.997 -0.105 1.00 1.00 H new ATOM 828 N GLN A 54 0.611 -11.773 -2.319 1.00 1.00 N ATOM 829 CA GLN A 54 0.253 -13.148 -2.158 1.00 1.00 C ATOM 830 C GLN A 54 0.792 -13.997 -3.256 1.00 1.00 C ATOM 831 O GLN A 54 0.228 -14.118 -4.343 1.00 1.00 O ATOM 832 CB GLN A 54 -1.282 -13.232 -2.092 1.00 1.00 C ATOM 833 CG GLN A 54 -1.849 -13.013 -0.688 1.00 1.00 C ATOM 834 CD GLN A 54 -1.437 -14.128 0.261 1.00 1.00 C ATOM 835 OE1 GLN A 54 -1.065 -15.232 -0.137 1.00 1.00 O ATOM 836 NE2 GLN A 54 -1.504 -13.842 1.589 1.00 1.00 N ATOM 0 H GLN A 54 0.276 -11.381 -3.199 1.00 1.00 H new ATOM 0 HA GLN A 54 0.692 -13.532 -1.237 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -1.707 -12.489 -2.766 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -1.600 -14.210 -2.454 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.501 -12.056 -0.299 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.937 -12.960 -0.738 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -1.815 -12.921 1.897 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -1.243 -14.549 2.277 1.00 1.00 H new ATOM 845 N GLU A 55 1.938 -14.649 -2.990 1.00 1.00 N ATOM 846 CA GLU A 55 2.697 -15.438 -3.911 1.00 1.00 C ATOM 847 C GLU A 55 2.088 -16.727 -4.344 1.00 1.00 C ATOM 848 O GLU A 55 2.188 -17.004 -5.539 1.00 1.00 O ATOM 849 CB GLU A 55 4.135 -15.583 -3.384 1.00 1.00 C ATOM 850 CG GLU A 55 5.187 -15.987 -4.416 1.00 1.00 C ATOM 851 CD GLU A 55 6.585 -15.718 -3.880 1.00 1.00 C ATOM 852 OE1 GLU A 55 6.869 -14.530 -3.571 1.00 1.00 O ATOM 853 OE2 GLU A 55 7.405 -16.664 -3.735 1.00 1.00 O ATOM 0 H GLU A 55 2.364 -14.622 -2.064 1.00 1.00 H new ATOM 0 HA GLU A 55 2.703 -14.887 -4.851 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.436 -14.634 -2.940 1.00 1.00 H new ATOM 0 HB3 GLU A 55 4.135 -16.324 -2.584 1.00 1.00 H new ATOM 0 HG2 GLU A 55 5.081 -17.044 -4.659 1.00 1.00 H new ATOM 0 HG3 GLU A 55 5.032 -15.431 -5.340 1.00 1.00 H new ATOM 860 N PRO A 56 1.430 -17.558 -3.590 1.00 1.00 N ATOM 861 CA PRO A 56 0.786 -18.723 -4.120 1.00 1.00 C ATOM 862 C PRO A 56 -0.428 -18.449 -4.940 1.00 1.00 C ATOM 863 O PRO A 56 -0.843 -19.304 -5.721 1.00 1.00 O ATOM 864 CB PRO A 56 0.381 -19.555 -2.905 1.00 1.00 C ATOM 865 CG PRO A 56 1.376 -19.113 -1.820 1.00 1.00 C ATOM 866 CD PRO A 56 1.532 -17.618 -2.140 1.00 1.00 C ATOM 0 HA PRO A 56 1.480 -19.221 -4.797 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -0.649 -19.358 -2.609 1.00 1.00 H new ATOM 0 HB3 PRO A 56 0.456 -20.623 -3.107 1.00 1.00 H new ATOM 0 HG2 PRO A 56 0.988 -19.279 -0.815 1.00 1.00 H new ATOM 0 HG3 PRO A 56 2.323 -19.648 -1.889 1.00 1.00 H new ATOM 0 HD2 PRO A 56 0.755 -17.023 -1.660 1.00 1.00 H new ATOM 0 HD3 PRO A 56 2.490 -17.232 -1.791 1.00 1.00 H new ATOM 874 N LEU A 57 -1.075 -17.286 -4.748 1.00 1.00 N ATOM 875 CA LEU A 57 -2.369 -17.017 -5.296 1.00 1.00 C ATOM 876 C LEU A 57 -2.267 -16.309 -6.604 1.00 1.00 C ATOM 877 O LEU A 57 -3.117 -16.480 -7.477 1.00 1.00 O ATOM 878 CB LEU A 57 -3.234 -16.170 -4.348 1.00 1.00 C ATOM 879 CG LEU A 57 -3.219 -16.733 -2.917 1.00 1.00 C ATOM 880 CD1 LEU A 57 -4.034 -15.829 -1.978 1.00 1.00 C ATOM 881 CD2 LEU A 57 -3.730 -18.179 -2.806 1.00 1.00 C ATOM 0 H LEU A 57 -0.691 -16.516 -4.200 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.844 -17.988 -5.438 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.868 -15.143 -4.340 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -4.259 -16.140 -4.718 1.00 1.00 H new ATOM 0 HG LEU A 57 -2.171 -16.750 -2.619 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -4.014 -16.241 -0.969 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -3.602 -14.828 -1.970 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -5.065 -15.776 -2.328 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -3.687 -18.501 -1.766 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.760 -18.229 -3.159 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -3.106 -18.833 -3.414 1.00 1.00 H new ATOM 893 N HIS A 58 -1.196 -15.506 -6.731 1.00 1.00 N ATOM 894 CA HIS A 58 -0.801 -14.754 -7.882 1.00 1.00 C ATOM 895 C HIS A 58 -1.502 -13.439 -7.900 1.00 1.00 C ATOM 896 O HIS A 58 -2.192 -13.103 -8.860 1.00 1.00 O ATOM 897 CB HIS A 58 -1.004 -15.463 -9.231 1.00 1.00 C ATOM 898 CG HIS A 58 -0.629 -16.914 -9.280 1.00 1.00 C ATOM 899 ND1 HIS A 58 0.025 -17.726 -8.406 1.00 1.00 N flip ATOM 900 CD2 HIS A 58 -1.041 -17.711 -10.315 1.00 1.00 C flip ATOM 901 CE1 HIS A 58 -0.010 -18.989 -8.936 1.00 1.00 C flip ATOM 902 NE2 HIS A 58 -0.668 -18.956 -10.081 1.00 1.00 N flip ATOM 0 H HIS A 58 -0.548 -15.372 -5.955 1.00 1.00 H new ATOM 0 HA HIS A 58 0.276 -14.626 -7.778 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -2.053 -15.371 -9.512 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.424 -14.934 -9.987 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -1.585 -17.374 -11.185 1.00 1.00 H new ATOM 0 HE1 HIS A 58 0.429 -19.869 -8.490 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -0.856 -19.757 -10.683 1.00 1.00 H new ATOM 910 N GLN A 59 -1.371 -12.625 -6.838 1.00 1.00 N ATOM 911 CA GLN A 59 -2.030 -11.359 -6.749 1.00 1.00 C ATOM 912 C GLN A 59 -1.289 -10.472 -5.810 1.00 1.00 C ATOM 913 O GLN A 59 -0.548 -10.929 -4.940 1.00 1.00 O ATOM 914 CB GLN A 59 -3.484 -11.482 -6.260 1.00 1.00 C ATOM 915 CG GLN A 59 -3.627 -12.195 -4.914 1.00 1.00 C ATOM 916 CD GLN A 59 -4.941 -12.952 -4.786 1.00 1.00 C ATOM 917 OE1 GLN A 59 -5.638 -12.799 -3.629 1.00 1.00 O flip ATOM 918 NE2 GLN A 59 -5.332 -13.717 -5.668 1.00 1.00 N flip ATOM 0 H GLN A 59 -0.797 -12.850 -6.026 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.045 -10.939 -7.755 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.915 -10.484 -6.179 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -4.065 -12.021 -7.009 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -2.798 -12.891 -4.786 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.555 -11.462 -4.110 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -4.796 -13.819 -6.530 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -6.192 -14.249 -5.537 1.00 1.00 H new ATOM 927 N VAL A 60 -1.478 -9.148 -5.954 1.00 1.00 N ATOM 928 CA VAL A 60 -0.944 -8.198 -5.030 1.00 1.00 C ATOM 929 C VAL A 60 -2.120 -7.453 -4.495 1.00 1.00 C ATOM 930 O VAL A 60 -3.137 -7.376 -5.181 1.00 1.00 O ATOM 931 CB VAL A 60 0.053 -7.285 -5.681 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.623 -6.242 -4.706 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.220 -8.122 -6.232 1.00 1.00 C ATOM 0 H VAL A 60 -2.007 -8.732 -6.720 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.392 -8.690 -4.229 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.468 -6.753 -6.477 1.00 1.00 H new ATOM 0 HG11 VAL A 60 1.339 -5.608 -5.229 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.188 -5.628 -4.315 1.00 1.00 H new ATOM 0 HG13 VAL A 60 1.123 -6.750 -3.881 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.948 -7.464 -6.706 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.698 -8.662 -5.415 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.842 -8.834 -6.966 1.00 1.00 H new ATOM 943 N TRP A 61 -2.101 -6.917 -3.261 1.00 1.00 N ATOM 944 CA TRP A 61 -3.202 -6.153 -2.763 1.00 1.00 C ATOM 945 C TRP A 61 -2.987 -4.678 -2.791 1.00 1.00 C ATOM 946 O TRP A 61 -1.862 -4.188 -2.699 1.00 1.00 O ATOM 947 CB TRP A 61 -3.718 -6.680 -1.412 1.00 1.00 C ATOM 948 CG TRP A 61 -3.138 -6.172 -0.114 1.00 1.00 C ATOM 949 CD1 TRP A 61 -1.929 -5.575 0.096 1.00 1.00 C ATOM 950 CD2 TRP A 61 -3.852 -6.082 1.134 1.00 1.00 C ATOM 951 NE1 TRP A 61 -1.855 -5.077 1.370 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.011 -5.417 2.034 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.103 -6.493 1.504 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -3.415 -5.189 3.320 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.502 -6.245 2.796 1.00 1.00 C ATOM 956 CH2 TRP A 61 -4.670 -5.613 3.691 1.00 1.00 C ATOM 0 H TRP A 61 -1.323 -7.013 -2.608 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.011 -6.310 -3.476 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.790 -6.487 -1.381 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.589 -7.762 -1.419 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.141 -5.505 -0.639 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.076 -4.545 1.759 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.755 -6.995 0.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -2.767 -4.690 4.025 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.487 -6.552 3.114 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -5.008 -5.447 4.703 1.00 1.00 H new ATOM 967 N LEU A 62 -4.080 -3.905 -2.912 1.00 1.00 N ATOM 968 CA LEU A 62 -4.078 -2.494 -2.677 1.00 1.00 C ATOM 969 C LEU A 62 -5.101 -2.225 -1.629 1.00 1.00 C ATOM 970 O LEU A 62 -6.292 -2.197 -1.936 1.00 1.00 O ATOM 971 CB LEU A 62 -4.506 -1.702 -3.924 1.00 1.00 C ATOM 972 CG LEU A 62 -3.469 -1.638 -5.057 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.041 -0.880 -6.266 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.138 -1.014 -4.603 1.00 1.00 C ATOM 0 H LEU A 62 -4.993 -4.272 -3.181 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.070 -2.191 -2.394 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.421 -2.145 -4.317 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.749 -0.684 -3.620 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.252 -2.665 -5.351 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.294 -0.844 -7.059 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.931 -1.393 -6.629 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.303 0.135 -5.968 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -1.441 -0.993 -5.441 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.314 0.003 -4.252 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.714 -1.609 -3.794 1.00 1.00 H new ATOM 986 N ALA A 63 -4.706 -2.010 -0.361 1.00 1.00 N ATOM 987 CA ALA A 63 -5.621 -1.560 0.642 1.00 1.00 C ATOM 988 C ALA A 63 -5.445 -0.103 0.893 1.00 1.00 C ATOM 989 O ALA A 63 -4.401 0.361 1.352 1.00 1.00 O ATOM 990 CB ALA A 63 -5.502 -2.419 1.911 1.00 1.00 C ATOM 0 H ALA A 63 -3.751 -2.148 -0.030 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.642 -1.688 0.284 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.207 -2.060 2.661 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.727 -3.458 1.670 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.488 -2.350 2.304 1.00 1.00 H new ATOM 996 N THR A 64 -6.473 0.684 0.525 1.00 1.00 N ATOM 997 CA THR A 64 -6.415 2.079 0.218 1.00 1.00 C ATOM 998 C THR A 64 -7.263 2.922 1.106 1.00 1.00 C ATOM 999 O THR A 64 -7.085 2.953 2.323 1.00 1.00 O ATOM 1000 CB THR A 64 -6.738 2.324 -1.226 1.00 1.00 C ATOM 1001 OG1 THR A 64 -8.025 1.839 -1.584 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.733 1.597 -2.135 1.00 1.00 C ATOM 0 H THR A 64 -7.419 0.313 0.436 1.00 1.00 H new ATOM 0 HA THR A 64 -5.386 2.386 0.407 1.00 1.00 H new ATOM 0 HB THR A 64 -6.697 3.405 -1.358 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.192 2.022 -2.532 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.983 1.786 -3.179 1.00 1.00 H new ATOM 0 HG22 THR A 64 -4.727 1.963 -1.931 1.00 1.00 H new ATOM 0 HG23 THR A 64 -5.775 0.525 -1.940 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.206 3.694 0.538 1.00 1.00 N ATOM 1011 CA LYS A 65 -8.981 4.699 1.198 1.00 1.00 C ATOM 1012 C LYS A 65 -10.305 4.156 1.613 1.00 1.00 C ATOM 1013 O LYS A 65 -10.607 4.019 2.796 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.155 5.926 0.287 1.00 1.00 C ATOM 1015 CG LYS A 65 -9.534 7.220 1.010 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.013 7.486 1.303 1.00 1.00 C ATOM 1017 CE LYS A 65 -11.199 8.892 1.878 1.00 1.00 C ATOM 1018 NZ LYS A 65 -12.605 9.181 2.236 1.00 1.00 N ATOM 0 H LYS A 65 -8.443 3.610 -0.451 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.448 5.011 2.096 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -8.225 6.091 -0.257 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -9.923 5.703 -0.454 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -8.999 7.238 1.960 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -9.158 8.054 0.417 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -11.596 7.380 0.388 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.389 6.745 2.008 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.573 9.004 2.763 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -10.856 9.626 1.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -12.674 10.145 2.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -13.202 9.102 1.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -12.928 8.499 2.952 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.157 3.810 0.630 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.484 3.339 0.875 1.00 1.00 C ATOM 1034 C GLN A 66 -12.517 1.915 1.312 1.00 1.00 C ATOM 1035 O GLN A 66 -13.413 1.478 2.034 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.285 3.514 -0.426 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.792 3.277 -0.299 1.00 1.00 C ATOM 1038 CD GLN A 66 -15.489 3.468 -1.639 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -16.251 4.411 -1.844 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -15.215 2.545 -2.599 1.00 1.00 N ATOM 0 H GLN A 66 -10.916 3.859 -0.360 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.918 3.916 1.691 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -13.122 4.524 -0.801 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.887 2.828 -1.174 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.975 2.268 0.070 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -15.212 3.965 0.435 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -14.578 1.774 -2.398 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -15.646 2.624 -3.520 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.481 1.132 0.964 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.388 -0.244 1.345 1.00 1.00 C ATOM 1051 C GLY A 67 -10.236 -0.891 0.657 1.00 1.00 C ATOM 1052 O GLY A 67 -9.311 -1.393 1.294 1.00 1.00 O ATOM 0 H GLY A 67 -10.692 1.460 0.407 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.267 -0.322 2.425 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.312 -0.763 1.090 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.267 -0.901 -0.688 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.265 -1.518 -1.502 1.00 1.00 C ATOM 1058 C GLY A 68 -9.549 -2.957 -1.764 1.00 1.00 C ATOM 1059 O GLY A 68 -10.489 -3.507 -1.192 1.00 1.00 O ATOM 0 H GLY A 68 -11.015 -0.465 -1.227 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -9.194 -0.986 -2.451 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.296 -1.426 -1.012 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.795 -3.595 -2.676 1.00 1.00 N ATOM 1064 CA TYR A 69 -8.912 -4.970 -3.049 1.00 1.00 C ATOM 1065 C TYR A 69 -7.712 -5.393 -3.827 1.00 1.00 C ATOM 1066 O TYR A 69 -6.839 -4.579 -4.121 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.244 -5.329 -3.729 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.072 -6.342 -3.013 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.096 -6.462 -1.644 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.896 -7.171 -3.735 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -11.920 -7.363 -1.011 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.713 -8.098 -3.128 1.00 1.00 C ATOM 1073 CZ TYR A 69 -12.734 -8.183 -1.755 1.00 1.00 C ATOM 1074 OH TYR A 69 -13.574 -9.092 -1.079 1.00 1.00 O ATOM 0 H TYR A 69 -8.053 -3.117 -3.187 1.00 1.00 H new ATOM 0 HA TYR A 69 -8.939 -5.553 -2.128 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -10.832 -4.418 -3.843 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.033 -5.700 -4.732 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -10.451 -5.832 -1.050 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -11.903 -7.093 -4.812 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -11.927 -7.426 0.067 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -13.332 -8.752 -3.724 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.093 -9.606 -1.732 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.562 -6.696 -4.122 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.432 -7.217 -4.829 1.00 1.00 C ATOM 1086 C HIS A 70 -6.414 -6.963 -6.297 1.00 1.00 C ATOM 1087 O HIS A 70 -7.434 -6.640 -6.904 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.125 -8.693 -4.527 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.012 -9.771 -5.075 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.152 -10.079 -6.403 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -7.696 -10.727 -4.389 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -7.901 -11.160 -6.520 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -8.240 -11.577 -5.315 1.00 1.00 N ATOM 0 H HIS A 70 -8.245 -7.408 -3.862 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.620 -6.619 -4.415 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.114 -8.893 -4.882 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.110 -8.806 -3.443 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -6.743 -9.556 -7.178 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -7.792 -10.801 -3.316 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -8.189 -11.627 -7.450 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.220 -7.043 -6.910 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.030 -6.826 -8.310 1.00 1.00 C ATOM 1103 C PHE A 71 -4.442 -7.985 -9.039 1.00 1.00 C ATOM 1104 O PHE A 71 -3.529 -8.661 -8.566 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.342 -5.483 -8.608 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.959 -5.222 -8.117 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -2.732 -4.774 -6.838 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -1.913 -5.202 -9.010 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.498 -4.295 -6.466 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -0.665 -4.755 -8.645 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.462 -4.283 -7.370 1.00 1.00 C ATOM 0 H PHE A 71 -4.357 -7.266 -6.414 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.033 -6.746 -8.729 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.329 -5.360 -9.691 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -4.981 -4.697 -8.206 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -3.534 -4.798 -6.115 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.076 -5.545 -10.021 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.342 -3.928 -5.462 1.00 1.00 H new ATOM 0 HE2 PHE A 71 0.149 -4.775 -9.354 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.507 -3.904 -7.080 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.014 -8.252 -10.226 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.732 -9.365 -11.078 1.00 1.00 C ATOM 1123 C ASP A 72 -4.428 -8.847 -12.442 1.00 1.00 C ATOM 1124 O ASP A 72 -4.596 -7.661 -12.720 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.953 -10.288 -11.224 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.474 -10.850 -9.909 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -7.067 -10.090 -9.097 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.415 -12.098 -9.751 1.00 1.00 O ATOM 0 H ASP A 72 -5.730 -7.641 -10.620 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.902 -9.920 -10.641 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.755 -9.735 -11.713 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.691 -11.117 -11.881 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.984 -9.699 -13.384 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.691 -9.340 -14.737 1.00 1.00 C ATOM 1135 C LEU A 73 -4.789 -9.729 -15.665 1.00 1.00 C ATOM 1136 O LEU A 73 -5.039 -10.909 -15.905 1.00 1.00 O ATOM 1137 CB LEU A 73 -2.428 -10.116 -15.145 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.112 -9.466 -14.684 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.052 -10.470 -14.745 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -0.777 -8.225 -15.528 1.00 1.00 C ATOM 0 H LEU A 73 -3.821 -10.687 -13.192 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.563 -8.259 -14.798 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -2.486 -11.124 -14.734 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -2.411 -10.215 -16.230 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.251 -9.154 -13.649 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.970 -9.984 -14.414 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -0.164 -11.318 -14.095 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.177 -10.821 -15.769 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.158 -7.788 -15.178 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.673 -8.514 -16.574 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.578 -7.492 -15.431 1.00 1.00 H new ATOM 1152 N LYS A 74 -5.441 -8.744 -16.307 1.00 1.00 N ATOM 1153 CA LYS A 74 -6.050 -8.952 -17.583 1.00 1.00 C ATOM 1154 C LYS A 74 -5.029 -9.185 -18.644 1.00 1.00 C ATOM 1155 O LYS A 74 -5.135 -10.146 -19.403 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.987 -7.804 -17.995 1.00 1.00 C ATOM 1157 CG LYS A 74 -8.332 -7.741 -17.269 1.00 1.00 C ATOM 1158 CD LYS A 74 -9.151 -9.032 -17.307 1.00 1.00 C ATOM 1159 CE LYS A 74 -10.641 -8.925 -16.972 1.00 1.00 C ATOM 1160 NZ LYS A 74 -10.928 -8.551 -15.570 1.00 1.00 N ATOM 0 H LYS A 74 -5.547 -7.798 -15.940 1.00 1.00 H new ATOM 0 HA LYS A 74 -6.661 -9.848 -17.477 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.465 -6.861 -17.834 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -7.178 -7.884 -19.065 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -8.153 -7.473 -16.228 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.926 -6.939 -17.707 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -9.059 -9.461 -18.305 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -8.698 -9.740 -16.612 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -11.097 -8.187 -17.632 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -11.118 -9.882 -17.185 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -11.486 -9.303 -15.117 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -10.034 -8.426 -15.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -11.466 -7.661 -15.551 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.968 -8.364 -18.737 1.00 1.00 N ATOM 1175 CA GLY A 75 -2.942 -8.618 -19.701 1.00 1.00 C ATOM 1176 C GLY A 75 -1.835 -7.620 -19.691 1.00 1.00 C ATOM 1177 O GLY A 75 -0.779 -7.830 -19.095 1.00 1.00 O ATOM 0 H GLY A 75 -3.821 -7.538 -18.156 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -2.525 -9.609 -19.519 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -3.389 -8.638 -20.695 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.046 -6.470 -20.357 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.201 -5.318 -20.308 1.00 1.00 C ATOM 1183 C ASP A 76 -1.646 -4.432 -19.197 1.00 1.00 C ATOM 1184 O ASP A 76 -1.006 -3.438 -18.855 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.303 -4.548 -21.634 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.071 -4.778 -22.499 1.00 1.00 C ATOM 1187 OD1 ASP A 76 1.033 -4.330 -22.086 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -0.194 -5.344 -23.617 1.00 1.00 O ATOM 0 H ASP A 76 -2.854 -6.338 -20.965 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.170 -5.631 -20.145 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.195 -4.865 -22.174 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.415 -3.483 -21.432 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.802 -4.765 -18.595 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.499 -3.985 -17.621 1.00 1.00 C ATOM 1195 C GLU A 77 -3.641 -4.910 -16.460 1.00 1.00 C ATOM 1196 O GLU A 77 -4.187 -6.006 -16.566 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.872 -3.557 -18.165 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.756 -2.491 -19.258 1.00 1.00 C ATOM 1199 CD GLU A 77 -5.953 -2.524 -20.199 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -5.960 -3.389 -21.113 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -6.907 -1.721 -20.014 1.00 1.00 O ATOM 0 H GLU A 77 -3.282 -5.640 -18.805 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.980 -3.064 -17.355 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -5.390 -4.429 -18.564 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.480 -3.171 -17.347 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -4.679 -1.505 -18.799 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -3.840 -2.650 -19.827 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.125 -4.469 -15.299 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.461 -5.070 -14.046 1.00 1.00 C ATOM 1210 C TRP A 78 -4.708 -4.387 -13.598 1.00 1.00 C ATOM 1211 O TRP A 78 -4.853 -3.172 -13.732 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.386 -4.878 -12.964 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.034 -5.519 -13.171 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.040 -5.075 -13.886 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.553 -6.598 -12.347 1.00 1.00 C ATOM 1216 NE1 TRP A 78 1.165 -5.775 -13.536 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.825 -6.696 -12.573 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.179 -7.402 -11.434 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.585 -7.570 -11.845 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.399 -8.251 -10.686 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.960 -8.322 -10.879 1.00 1.00 C ATOM 0 H TRP A 78 -2.470 -3.690 -15.228 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.566 -6.146 -14.183 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.229 -3.807 -12.838 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.791 -5.253 -12.024 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.008 -4.285 -14.622 1.00 1.00 H new ATOM 0 HE1 TRP A 78 2.098 -5.636 -13.925 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.251 -7.371 -11.305 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.646 -7.666 -12.024 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.862 -8.873 -9.934 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.549 -8.982 -10.259 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.712 -5.133 -13.106 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.001 -4.585 -12.820 1.00 1.00 C ATOM 1234 C ILE A 79 -7.375 -4.990 -11.435 1.00 1.00 C ATOM 1235 O ILE A 79 -6.882 -5.988 -10.911 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.988 -4.974 -13.881 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.648 -6.354 -13.721 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -7.422 -4.764 -15.294 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -7.721 -7.565 -13.618 1.00 1.00 C ATOM 0 H ILE A 79 -5.629 -6.129 -12.904 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.993 -3.495 -12.846 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.815 -4.280 -13.731 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -9.271 -6.329 -12.827 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -9.314 -6.510 -14.569 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -8.168 -5.058 -16.032 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -7.169 -3.713 -15.432 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -6.527 -5.372 -15.421 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -8.317 -8.471 -13.509 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -7.114 -7.636 -14.521 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -7.070 -7.452 -12.751 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.220 -4.204 -10.744 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.590 -4.489 -9.392 1.00 1.00 C ATOM 1253 C CYS A 80 -9.741 -5.429 -9.300 1.00 1.00 C ATOM 1254 O CYS A 80 -10.625 -5.443 -10.156 1.00 1.00 O ATOM 1255 CB CYS A 80 -8.870 -3.243 -8.535 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.416 -2.152 -8.519 1.00 1.00 S ATOM 0 H CYS A 80 -8.651 -3.362 -11.127 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.704 -4.970 -8.977 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.732 -2.706 -8.931 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.121 -3.542 -7.517 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.488 -1.318 -9.514 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.801 -6.287 -8.266 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.782 -7.318 -8.117 1.00 1.00 C ATOM 1264 C ASP A 81 -12.190 -6.853 -7.968 1.00 1.00 C ATOM 1265 O ASP A 81 -13.099 -7.436 -8.555 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.293 -8.224 -6.975 1.00 1.00 C ATOM 1267 CG ASP A 81 -11.015 -9.563 -6.896 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.020 -10.283 -7.930 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.546 -9.918 -5.811 1.00 1.00 O ATOM 0 H ASP A 81 -9.133 -6.261 -7.496 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.856 -7.878 -9.049 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.225 -8.405 -7.100 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.419 -7.698 -6.028 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.444 -5.768 -7.214 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.745 -5.185 -7.099 1.00 1.00 C ATOM 1276 C ARG A 82 -13.719 -3.712 -7.324 1.00 1.00 C ATOM 1277 O ARG A 82 -12.662 -3.118 -7.532 1.00 1.00 O ATOM 1278 CB ARG A 82 -14.465 -5.526 -5.784 1.00 1.00 C ATOM 1279 CG ARG A 82 -14.057 -4.739 -4.537 1.00 1.00 C ATOM 1280 CD ARG A 82 -14.756 -5.166 -3.245 1.00 1.00 C ATOM 1281 NE ARG A 82 -16.155 -4.658 -3.309 1.00 1.00 N ATOM 1282 CZ ARG A 82 -17.064 -4.734 -2.292 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -16.752 -5.191 -1.044 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -18.333 -4.300 -2.542 1.00 1.00 N ATOM 0 H ARG A 82 -11.728 -5.285 -6.672 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.331 -5.643 -7.896 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -15.535 -5.383 -5.938 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -14.311 -6.586 -5.580 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -12.980 -4.838 -4.400 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -14.260 -3.682 -4.710 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.746 -6.251 -3.143 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -14.239 -4.759 -2.376 1.00 1.00 H new ATOM 0 HE ARG A 82 -16.457 -4.220 -4.179 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -15.801 -5.496 -0.836 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -17.470 -5.227 -0.320 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -18.575 -3.935 -3.463 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -19.040 -4.341 -1.808 1.00 1.00 H new ATOM 1298 N SER A 83 -14.910 -3.089 -7.292 1.00 1.00 N ATOM 1299 CA SER A 83 -15.182 -1.685 -7.300 1.00 1.00 C ATOM 1300 C SER A 83 -14.960 -0.951 -8.576 1.00 1.00 C ATOM 1301 O SER A 83 -15.873 -0.309 -9.095 1.00 1.00 O ATOM 1302 CB SER A 83 -14.712 -0.899 -6.065 1.00 1.00 C ATOM 1303 OG SER A 83 -13.353 -0.490 -6.107 1.00 1.00 O ATOM 0 H SER A 83 -15.774 -3.630 -7.257 1.00 1.00 H new ATOM 0 HA SER A 83 -16.268 -1.723 -7.219 1.00 1.00 H new ATOM 0 HB2 SER A 83 -15.340 -0.016 -5.952 1.00 1.00 H new ATOM 0 HB3 SER A 83 -14.865 -1.515 -5.179 1.00 1.00 H new ATOM 0 HG SER A 83 -12.819 -1.176 -6.559 1.00 1.00 H new ATOM 1309 N GLY A 84 -13.747 -1.014 -9.154 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.448 -0.364 -10.393 1.00 1.00 C ATOM 1311 C GLY A 84 -12.133 -0.842 -10.907 1.00 1.00 C ATOM 1312 O GLY A 84 -11.077 -0.343 -10.519 1.00 1.00 O ATOM 0 H GLY A 84 -12.960 -1.525 -8.754 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.231 -0.572 -11.122 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -13.423 0.716 -10.251 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.121 -1.866 -11.779 1.00 1.00 N ATOM 1317 CA GLU A 85 -10.919 -2.575 -12.095 1.00 1.00 C ATOM 1318 C GLU A 85 -9.900 -1.887 -12.937 1.00 1.00 C ATOM 1319 O GLU A 85 -9.940 -1.874 -14.166 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.303 -3.961 -12.641 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.934 -4.064 -14.030 1.00 1.00 C ATOM 1322 CD GLU A 85 -12.117 -5.517 -14.444 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -12.879 -6.253 -13.762 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -11.531 -5.941 -15.476 1.00 1.00 O ATOM 0 H GLU A 85 -12.949 -2.205 -12.268 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.373 -2.651 -11.155 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -10.402 -4.575 -12.643 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.995 -4.414 -11.931 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -12.899 -3.558 -14.032 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -11.304 -3.552 -14.758 1.00 1.00 H new ATOM 1331 N THR A 86 -8.881 -1.278 -12.304 1.00 1.00 N ATOM 1332 CA THR A 86 -7.745 -0.731 -12.977 1.00 1.00 C ATOM 1333 C THR A 86 -6.661 -0.403 -12.007 1.00 1.00 C ATOM 1334 O THR A 86 -6.900 0.371 -11.081 1.00 1.00 O ATOM 1335 CB THR A 86 -7.978 0.567 -13.693 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.038 0.493 -14.635 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.755 0.974 -14.532 1.00 1.00 C ATOM 0 H THR A 86 -8.847 -1.163 -11.291 1.00 1.00 H new ATOM 0 HA THR A 86 -7.496 -1.513 -13.694 1.00 1.00 H new ATOM 0 HB THR A 86 -8.200 1.277 -12.897 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.321 -0.440 -14.737 1.00 1.00 H new ATOM 0 HG21 THR A 86 -6.958 1.918 -15.037 1.00 1.00 H new ATOM 0 HG22 THR A 86 -5.889 1.090 -13.880 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.550 0.203 -15.274 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.430 -0.908 -12.202 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.270 -0.577 -11.435 1.00 1.00 C ATOM 1347 C PHE A 87 -3.961 0.871 -11.257 1.00 1.00 C ATOM 1348 O PHE A 87 -4.376 1.435 -10.245 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.008 -1.378 -11.797 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.347 -1.194 -13.118 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -3.002 -0.877 -14.286 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.994 -1.428 -13.179 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -2.337 -0.826 -15.487 1.00 1.00 C ATOM 1354 CE2 PHE A 87 -0.311 -1.382 -14.371 1.00 1.00 C ATOM 1355 CZ PHE A 87 -0.987 -1.088 -15.533 1.00 1.00 C ATOM 0 H PHE A 87 -5.234 -1.587 -12.938 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.597 -0.907 -10.449 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -2.262 -1.165 -11.032 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.262 -2.434 -11.709 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -4.060 -0.664 -14.258 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.456 -1.653 -12.270 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -2.872 -0.581 -16.392 1.00 1.00 H new ATOM 0 HE2 PHE A 87 0.751 -1.576 -14.395 1.00 1.00 H new ATOM 0 HZ PHE A 87 -0.461 -1.063 -16.476 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.243 1.547 -12.170 1.00 1.00 N ATOM 1366 CA TRP A 88 -2.813 2.895 -11.959 1.00 1.00 C ATOM 1367 C TRP A 88 -3.934 3.849 -11.727 1.00 1.00 C ATOM 1368 O TRP A 88 -3.820 4.719 -10.863 1.00 1.00 O ATOM 1369 CB TRP A 88 -1.959 3.517 -13.077 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.857 2.728 -13.742 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.749 2.431 -15.071 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.407 2.372 -13.149 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.489 1.917 -15.344 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.211 1.861 -14.175 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.886 2.488 -11.872 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.491 1.450 -13.923 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.168 2.053 -11.626 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.960 1.559 -12.635 1.00 1.00 C ATOM 0 H TRP A 88 -2.957 1.154 -13.067 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.197 2.768 -11.069 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.644 3.834 -13.863 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.504 4.419 -12.667 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.530 2.581 -15.802 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.822 1.624 -16.263 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.278 2.907 -11.084 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.114 1.052 -14.711 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.560 2.101 -10.621 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.971 1.250 -12.412 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.059 3.721 -12.452 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.165 4.622 -12.354 1.00 1.00 C ATOM 1391 C ASP A 89 -6.889 4.569 -11.051 1.00 1.00 C ATOM 1392 O ASP A 89 -7.258 5.604 -10.498 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.088 4.407 -13.564 1.00 1.00 C ATOM 1394 CG ASP A 89 -7.974 5.612 -13.847 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -7.447 6.688 -14.236 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -9.222 5.465 -13.737 1.00 1.00 O ATOM 0 H ASP A 89 -5.204 2.969 -13.126 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.771 5.638 -12.376 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.482 4.191 -14.444 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.715 3.533 -13.387 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.111 3.390 -10.446 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.754 3.327 -9.170 1.00 1.00 C ATOM 1403 C LEU A 90 -6.847 3.719 -8.055 1.00 1.00 C ATOM 1404 O LEU A 90 -7.209 4.454 -7.139 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.331 1.932 -8.878 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.223 1.895 -7.625 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.449 2.819 -7.714 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.703 0.468 -7.307 1.00 1.00 C ATOM 0 H LEU A 90 -6.848 2.485 -10.836 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.572 4.045 -9.225 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.911 1.598 -9.739 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.510 1.225 -8.753 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.584 2.260 -6.821 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.031 2.741 -6.796 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.119 3.849 -7.848 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.067 2.523 -8.562 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -10.330 0.485 -6.415 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.279 0.082 -8.148 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.841 -0.175 -7.132 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.588 3.252 -8.126 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.458 3.672 -7.354 1.00 1.00 C ATOM 1422 C LEU A 91 -4.297 5.151 -7.299 1.00 1.00 C ATOM 1423 O LEU A 91 -4.125 5.735 -6.230 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.216 2.999 -7.964 1.00 1.00 C ATOM 1425 CG LEU A 91 -1.830 3.121 -7.309 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.191 4.520 -7.366 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.795 2.519 -5.894 1.00 1.00 C ATOM 0 H LEU A 91 -5.340 2.513 -8.784 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.603 3.369 -6.317 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.438 1.934 -8.039 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.119 3.377 -8.982 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.186 2.512 -7.944 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.217 4.496 -6.876 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.067 4.821 -8.406 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -1.836 5.236 -6.856 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.795 2.631 -5.476 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -2.513 3.038 -5.260 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -2.052 1.461 -5.942 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.386 5.822 -8.462 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.456 7.240 -8.637 1.00 1.00 C ATOM 1441 C GLU A 92 -5.589 7.869 -7.902 1.00 1.00 C ATOM 1442 O GLU A 92 -5.375 8.797 -7.121 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.562 7.664 -10.111 1.00 1.00 C ATOM 1444 CG GLU A 92 -3.948 9.034 -10.410 1.00 1.00 C ATOM 1445 CD GLU A 92 -2.439 8.914 -10.563 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -1.738 8.599 -9.564 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -1.957 9.132 -11.708 1.00 1.00 O ATOM 0 H GLU A 92 -4.411 5.329 -9.354 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.512 7.595 -8.222 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.070 6.914 -10.731 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.613 7.677 -10.400 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -4.382 9.443 -11.323 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.185 9.730 -9.605 1.00 1.00 H new ATOM 1454 N GLN A 93 -6.831 7.381 -8.063 1.00 1.00 N ATOM 1455 CA GLN A 93 -7.968 7.834 -7.324 1.00 1.00 C ATOM 1456 C GLN A 93 -7.748 7.810 -5.851 1.00 1.00 C ATOM 1457 O GLN A 93 -7.900 8.823 -5.171 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.250 7.046 -7.637 1.00 1.00 C ATOM 1459 CG GLN A 93 -10.504 7.788 -7.167 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.720 6.881 -7.052 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.494 6.698 -7.992 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -11.922 6.294 -5.842 1.00 1.00 N ATOM 0 H GLN A 93 -7.052 6.644 -8.732 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.101 8.865 -7.651 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.314 6.868 -8.710 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.203 6.070 -7.154 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.307 8.247 -6.198 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -10.725 8.596 -7.864 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -11.267 6.461 -5.078 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.729 5.687 -5.698 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.286 6.666 -5.314 1.00 1.00 N ATOM 1472 CA ALA A 94 -6.876 6.498 -3.954 1.00 1.00 C ATOM 1473 C ALA A 94 -5.863 7.480 -3.475 1.00 1.00 C ATOM 1474 O ALA A 94 -6.034 8.088 -2.420 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.353 5.065 -3.757 1.00 1.00 C ATOM 0 H ALA A 94 -7.194 5.810 -5.861 1.00 1.00 H new ATOM 0 HA ALA A 94 -7.762 6.686 -3.348 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.039 4.931 -2.722 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.145 4.353 -3.991 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.504 4.893 -4.419 1.00 1.00 H new ATOM 1481 N ALA A 95 -4.768 7.714 -4.219 1.00 1.00 N ATOM 1482 CA ALA A 95 -3.735 8.643 -3.884 1.00 1.00 C ATOM 1483 C ALA A 95 -4.202 10.059 -3.859 1.00 1.00 C ATOM 1484 O ALA A 95 -4.059 10.774 -2.869 1.00 1.00 O ATOM 1485 CB ALA A 95 -2.581 8.530 -4.895 1.00 1.00 C ATOM 0 H ALA A 95 -4.595 7.230 -5.100 1.00 1.00 H new ATOM 0 HA ALA A 95 -3.406 8.383 -2.878 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -1.797 9.241 -4.634 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.176 7.518 -4.873 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -2.951 8.750 -5.896 1.00 1.00 H new ATOM 1491 N THR A 96 -4.826 10.501 -4.965 1.00 1.00 N ATOM 1492 CA THR A 96 -5.369 11.809 -5.172 1.00 1.00 C ATOM 1493 C THR A 96 -6.419 12.192 -4.190 1.00 1.00 C ATOM 1494 O THR A 96 -6.500 13.335 -3.739 1.00 1.00 O ATOM 1495 CB THR A 96 -5.915 11.997 -6.556 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.892 11.044 -6.944 1.00 1.00 O ATOM 1497 CG2 THR A 96 -4.745 11.860 -7.546 1.00 1.00 C ATOM 0 H THR A 96 -4.961 9.897 -5.776 1.00 1.00 H new ATOM 0 HA THR A 96 -4.513 12.468 -5.025 1.00 1.00 H new ATOM 0 HB THR A 96 -6.396 12.975 -6.563 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.509 10.143 -6.893 1.00 1.00 H new ATOM 0 HG21 THR A 96 -5.112 11.992 -8.564 1.00 1.00 H new ATOM 0 HG22 THR A 96 -3.994 12.620 -7.329 1.00 1.00 H new ATOM 0 HG23 THR A 96 -4.299 10.871 -7.447 1.00 1.00 H new ATOM 1505 N GLN A 97 -7.274 11.229 -3.801 1.00 1.00 N ATOM 1506 CA GLN A 97 -8.307 11.432 -2.834 1.00 1.00 C ATOM 1507 C GLN A 97 -7.849 11.423 -1.417 1.00 1.00 C ATOM 1508 O GLN A 97 -8.458 12.073 -0.566 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.543 10.543 -3.050 1.00 1.00 C ATOM 1510 CG GLN A 97 -9.503 9.150 -2.420 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.731 8.320 -2.764 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -10.639 7.225 -3.319 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.932 8.836 -2.390 1.00 1.00 N ATOM 0 H GLN A 97 -7.245 10.279 -4.171 1.00 1.00 H new ATOM 0 HA GLN A 97 -8.626 12.457 -3.024 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.414 11.069 -2.659 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.696 10.427 -4.123 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -8.608 8.627 -2.758 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.425 9.247 -1.337 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -11.976 9.746 -1.932 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.789 8.313 -2.568 1.00 1.00 H new ATOM 1522 N GLN A 98 -6.750 10.726 -1.078 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.127 10.811 0.207 1.00 1.00 C ATOM 1524 C GLN A 98 -5.368 12.082 0.380 1.00 1.00 C ATOM 1525 O GLN A 98 -5.382 12.685 1.452 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.196 9.610 0.442 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.909 8.263 0.585 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.281 7.908 2.016 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -7.062 8.580 2.690 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.726 6.772 2.516 1.00 1.00 N ATOM 0 H GLN A 98 -6.280 10.084 -1.717 1.00 1.00 H new ATOM 0 HA GLN A 98 -6.926 10.797 0.948 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -4.492 9.546 -0.388 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -4.611 9.793 1.343 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.814 8.277 -0.022 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.267 7.479 0.182 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.081 6.226 1.945 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.955 6.466 3.462 1.00 1.00 H new ATOM 1539 N ALA A 99 -4.680 12.559 -0.672 1.00 1.00 N ATOM 1540 CA ALA A 99 -3.915 13.767 -0.652 1.00 1.00 C ATOM 1541 C ALA A 99 -4.711 15.017 -0.806 1.00 1.00 C ATOM 1542 O ALA A 99 -4.518 15.973 -0.056 1.00 1.00 O ATOM 1543 CB ALA A 99 -2.863 13.700 -1.773 1.00 1.00 C ATOM 0 H ALA A 99 -4.656 12.083 -1.574 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.464 13.825 0.338 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.271 14.615 -1.771 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.209 12.844 -1.607 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.363 13.594 -2.736 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.646 15.073 -1.771 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.560 16.157 -1.965 1.00 1.00 C ATOM 1551 C GLY A 100 -6.534 16.817 -3.301 1.00 1.00 C ATOM 1552 O GLY A 100 -7.297 17.755 -3.528 1.00 1.00 O ATOM 0 H GLY A 100 -5.771 14.323 -2.451 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.570 15.788 -1.786 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.358 16.913 -1.207 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.677 16.374 -4.239 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.554 16.950 -5.541 1.00 1.00 C ATOM 1558 C GLU A 101 -5.057 15.932 -6.510 1.00 1.00 C ATOM 1559 O GLU A 101 -4.738 14.815 -6.107 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.617 18.169 -5.565 1.00 1.00 C ATOM 1561 CG GLU A 101 -3.131 17.906 -5.317 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.326 19.175 -5.565 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -2.618 20.222 -4.928 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.387 19.162 -6.404 1.00 1.00 O ATOM 0 H GLU A 101 -5.048 15.586 -4.084 1.00 1.00 H new ATOM 0 HA GLU A 101 -6.549 17.291 -5.826 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -4.718 18.655 -6.535 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.965 18.879 -4.815 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.980 17.565 -4.293 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.780 17.110 -5.973 1.00 1.00 H new ATOM 1571 N THR A 102 -4.980 16.239 -7.817 1.00 1.00 N ATOM 1572 CA THR A 102 -4.475 15.337 -8.805 1.00 1.00 C ATOM 1573 C THR A 102 -2.992 15.197 -8.753 1.00 1.00 C ATOM 1574 O THR A 102 -2.241 16.159 -8.902 1.00 1.00 O ATOM 1575 CB THR A 102 -4.851 15.635 -10.225 1.00 1.00 C ATOM 1576 OG1 THR A 102 -6.248 15.870 -10.308 1.00 1.00 O ATOM 1577 CG2 THR A 102 -4.550 14.436 -11.141 1.00 1.00 C ATOM 0 H THR A 102 -5.277 17.138 -8.197 1.00 1.00 H new ATOM 0 HA THR A 102 -4.969 14.407 -8.525 1.00 1.00 H new ATOM 0 HB THR A 102 -4.275 16.505 -10.539 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.492 16.066 -11.237 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.833 14.680 -12.165 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.485 14.208 -11.103 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.119 13.569 -10.805 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.520 13.952 -8.553 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.170 13.520 -8.365 1.00 1.00 C ATOM 1587 C VAL A 103 -0.982 12.566 -9.495 1.00 1.00 C ATOM 1588 O VAL A 103 -1.893 11.784 -9.765 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.023 12.838 -7.038 1.00 1.00 C ATOM 1590 CG1 VAL A 103 0.450 12.478 -6.779 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.465 13.770 -5.899 1.00 1.00 C ATOM 0 H VAL A 103 -3.163 13.160 -8.520 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.437 14.327 -8.361 1.00 1.00 H new ATOM 0 HB VAL A 103 -1.643 11.942 -7.065 1.00 1.00 H new ATOM 0 HG11 VAL A 103 0.539 11.984 -5.812 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.804 11.808 -7.563 1.00 1.00 H new ATOM 0 HG13 VAL A 103 1.052 13.387 -6.779 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.351 13.257 -4.944 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.848 14.669 -5.904 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.510 14.046 -6.040 1.00 1.00 H new ATOM 1601 N SER A 104 0.136 12.608 -10.240 1.00 1.00 N ATOM 1602 CA SER A 104 0.284 11.939 -11.495 1.00 1.00 C ATOM 1603 C SER A 104 1.158 10.732 -11.472 1.00 1.00 C ATOM 1604 O SER A 104 2.276 10.757 -10.962 1.00 1.00 O ATOM 1605 CB SER A 104 0.789 12.869 -12.611 1.00 1.00 C ATOM 1606 OG SER A 104 1.989 13.544 -12.265 1.00 1.00 O ATOM 0 H SER A 104 0.968 13.127 -9.958 1.00 1.00 H new ATOM 0 HA SER A 104 -0.734 11.609 -11.705 1.00 1.00 H new ATOM 0 HB2 SER A 104 0.954 12.285 -13.517 1.00 1.00 H new ATOM 0 HB3 SER A 104 0.018 13.604 -12.842 1.00 1.00 H new ATOM 0 HG SER A 104 2.267 14.119 -13.008 1.00 1.00 H new ATOM 1612 N PHE A 105 0.662 9.600 -12.002 1.00 1.00 N ATOM 1613 CA PHE A 105 1.381 8.402 -12.308 1.00 1.00 C ATOM 1614 C PHE A 105 0.889 7.861 -13.606 1.00 1.00 C ATOM 1615 O PHE A 105 1.642 7.280 -14.387 1.00 1.00 O ATOM 1616 CB PHE A 105 1.088 7.353 -11.222 1.00 1.00 C ATOM 1617 CG PHE A 105 2.101 6.299 -10.940 1.00 1.00 C ATOM 1618 CD1 PHE A 105 3.253 6.082 -11.660 1.00 1.00 C ATOM 1619 CD2 PHE A 105 1.882 5.567 -9.797 1.00 1.00 C ATOM 1620 CE1 PHE A 105 4.190 5.177 -11.219 1.00 1.00 C ATOM 1621 CE2 PHE A 105 2.817 4.670 -9.339 1.00 1.00 C ATOM 1622 CZ PHE A 105 3.979 4.480 -10.051 1.00 1.00 C ATOM 0 H PHE A 105 -0.327 9.518 -12.236 1.00 1.00 H new ATOM 0 HA PHE A 105 2.448 8.618 -12.359 1.00 1.00 H new ATOM 0 HB2 PHE A 105 0.902 7.888 -10.290 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.159 6.851 -11.492 1.00 1.00 H new ATOM 0 HD1 PHE A 105 3.423 6.626 -12.578 1.00 1.00 H new ATOM 0 HD2 PHE A 105 0.960 5.699 -9.250 1.00 1.00 H new ATOM 0 HE1 PHE A 105 5.092 5.013 -11.790 1.00 1.00 H new ATOM 0 HE2 PHE A 105 2.641 4.118 -8.427 1.00 1.00 H new ATOM 0 HZ PHE A 105 4.724 3.785 -9.694 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.422 8.004 -13.864 1.00 1.00 N ATOM 1633 CA ARG A 106 -1.143 7.351 -14.912 1.00 1.00 C ATOM 1634 C ARG A 106 -1.119 8.129 -16.220 1.00 1.00 C ATOM 1635 O ARG A 106 -1.788 9.190 -16.335 1.00 1.00 O ATOM 1636 CB ARG A 106 -2.579 7.190 -14.387 1.00 1.00 C ATOM 1637 CG ARG A 106 -3.458 6.219 -15.179 1.00 1.00 C ATOM 1638 CD ARG A 106 -4.241 6.799 -16.358 1.00 1.00 C ATOM 1639 NE ARG A 106 -5.319 7.678 -15.822 1.00 1.00 N ATOM 1640 CZ ARG A 106 -5.420 9.010 -16.109 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -4.386 9.744 -16.616 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -6.609 9.654 -15.936 1.00 1.00 N ATOM 1643 OXT ARG A 106 -0.429 7.698 -17.182 1.00 1.00 O ATOM 0 H ARG A 106 -1.017 8.615 -13.304 1.00 1.00 H new ATOM 0 HA ARG A 106 -0.683 6.392 -15.151 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.534 6.852 -13.352 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -3.059 8.169 -14.383 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -2.823 5.417 -15.555 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -4.170 5.766 -14.489 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -3.578 7.367 -17.010 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -4.670 5.997 -16.959 1.00 1.00 H new ATOM 0 HE ARG A 106 -6.019 7.263 -15.208 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -3.486 9.300 -16.798 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -4.514 10.737 -16.813 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -7.421 9.141 -15.593 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -6.686 10.648 -16.150 1.00 1.00 H new TER 1657 ARG A 106