USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.761 X(o=-6.1,f=-5.8) USER MOD Set 1.2: A 95 ASN : amide:sc= -5.33! C(o=-6.1!,f=-11!) USER MOD Set 2.1: A 53 GLN :FLIP amide:sc= 0.499 F(o=2.3,f=3.3) USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= 1.71 F(o=0.84,f=3.3) USER MOD Set 2.3: A 57 HIS : no HD1:sc= 1.04 K(o=3.3,f=-3.8!) USER MOD Set 3.1: A 43 ASN : amide:sc= -3.09! C(o=-3.9!,f=-6.8!) USER MOD Set 3.2: A 59 SER OG : rot 100:sc= 1.79 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -2.62! USER MOD Set 4.1: A 14 ASN : amide:sc= 1.12 K(o=3,f=0.34) USER MOD Set 4.2: A 18 THR OG1 : rot -77:sc= 1.86 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.23 (180deg=0.979) USER MOD Single : A 2 SER OG : rot -145:sc= -0.799 USER MOD Single : A 3 TYR OH : rot 0:sc= -0.0359 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 130:sc= -1.62 USER MOD Single : A 9 ASN : amide:sc= 1.1 K(o=1.1,f=-0.89) USER MOD Single : A 13 THR OG1 : rot -100:sc= -1.85! USER MOD Single : A 23 CYS SG : rot -84:sc= -3.57! USER MOD Single : A 25 ASN : amide:sc= -2.18! C(o=-2.2!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.134 K(o=0.13,f=-6.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 164:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -94:sc= 1.2 USER MOD Single : A 40 CYS SG : rot -37:sc= -0.468 USER MOD Single : A 45 ASN : amide:sc= -0.0322 K(o=-0.032,f=-1.3!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0262 (180deg=-0.248) USER MOD Single : A 72 THR OG1 : rot 32:sc= 0.67 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0.512) USER MOD Single : A 77 THR OG1 : rot 61:sc= 0.591 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.05 F(o=-5.3!,f=-2) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0155 F(o=-0.78!,f=-0.016) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0556 F(o=-1.1,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.718 15.316 0.856 1.00 0.00 N ATOM 2 CA MET A 1 1.750 14.586 0.090 1.00 0.00 C ATOM 3 C MET A 1 1.970 13.212 0.693 1.00 0.00 C ATOM 4 O MET A 1 1.691 12.991 1.868 1.00 0.00 O ATOM 5 CB MET A 1 3.067 15.367 0.085 1.00 0.00 C ATOM 6 CG MET A 1 3.076 16.550 -0.870 1.00 0.00 C ATOM 7 SD MET A 1 1.768 17.743 -0.528 1.00 0.00 S ATOM 8 CE MET A 1 2.097 18.963 -1.795 1.00 0.00 C ATOM 0 H1 MET A 1 0.762 16.328 0.620 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.222 14.944 0.613 1.00 0.00 H new ATOM 0 H3 MET A 1 0.888 15.190 1.874 1.00 0.00 H new ATOM 0 HA MET A 1 1.404 14.476 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.270 15.725 1.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.879 14.690 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.042 17.051 -0.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.970 16.186 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.370 19.772 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.102 19.364 -1.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.019 18.497 -2.777 1.00 0.00 H new ATOM 16 N SER A 2 2.436 12.286 -0.121 1.00 0.00 N ATOM 17 CA SER A 2 2.707 10.940 0.340 1.00 0.00 C ATOM 18 C SER A 2 4.187 10.619 0.203 1.00 0.00 C ATOM 19 O SER A 2 4.961 11.452 -0.266 1.00 0.00 O ATOM 20 CB SER A 2 1.858 9.936 -0.430 1.00 0.00 C ATOM 21 OG SER A 2 1.613 10.394 -1.749 1.00 0.00 O ATOM 0 H SER A 2 2.635 12.443 -1.109 1.00 0.00 H new ATOM 0 HA SER A 2 2.443 10.871 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.366 8.972 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.912 9.780 0.088 1.00 0.00 H new ATOM 0 HG SER A 2 0.716 10.117 -2.030 1.00 0.00 H new ATOM 26 N TYR A 3 4.577 9.425 0.611 1.00 0.00 N ATOM 27 CA TYR A 3 5.967 9.008 0.542 1.00 0.00 C ATOM 28 C TYR A 3 6.497 9.071 -0.888 1.00 0.00 C ATOM 29 O TYR A 3 7.612 9.537 -1.120 1.00 0.00 O ATOM 30 CB TYR A 3 6.128 7.594 1.112 1.00 0.00 C ATOM 31 CG TYR A 3 5.661 6.480 0.201 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.314 6.296 -0.081 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.578 5.617 -0.385 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.895 5.284 -0.921 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.168 4.603 -1.226 1.00 0.00 C ATOM 36 CZ TYR A 3 4.826 4.440 -1.493 1.00 0.00 C ATOM 37 OH TYR A 3 4.413 3.433 -2.334 1.00 0.00 O ATOM 0 H TYR A 3 3.946 8.722 0.996 1.00 0.00 H new ATOM 0 HA TYR A 3 6.555 9.700 1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.179 7.432 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.576 7.532 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.583 6.955 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.631 5.742 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.844 5.153 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.895 3.941 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 3 3.437 3.458 -2.419 1.00 0.00 H new ATOM 46 N ALA A 4 5.675 8.640 -1.843 1.00 0.00 N ATOM 47 CA ALA A 4 6.053 8.616 -3.255 1.00 0.00 C ATOM 48 C ALA A 4 6.393 10.008 -3.775 1.00 0.00 C ATOM 49 O ALA A 4 7.070 10.152 -4.789 1.00 0.00 O ATOM 50 CB ALA A 4 4.937 8.000 -4.088 1.00 0.00 C ATOM 0 H ALA A 4 4.731 8.299 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 4 6.950 8.003 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.231 7.988 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.752 6.980 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.028 8.591 -3.972 1.00 0.00 H new ATOM 56 N ASP A 5 5.935 11.031 -3.064 1.00 0.00 N ATOM 57 CA ASP A 5 6.189 12.410 -3.456 1.00 0.00 C ATOM 58 C ASP A 5 7.670 12.744 -3.300 1.00 0.00 C ATOM 59 O ASP A 5 8.182 13.672 -3.924 1.00 0.00 O ATOM 60 CB ASP A 5 5.339 13.361 -2.612 1.00 0.00 C ATOM 61 CG ASP A 5 5.229 14.738 -3.225 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.385 14.916 -4.133 1.00 0.00 O ATOM 63 OD2 ASP A 5 5.970 15.646 -2.802 1.00 0.00 O ATOM 0 H ASP A 5 5.385 10.930 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 5 5.916 12.531 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.341 12.940 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.773 13.444 -1.616 1.00 0.00 H new ATOM 67 N SER A 6 8.356 11.974 -2.463 1.00 0.00 N ATOM 68 CA SER A 6 9.773 12.171 -2.224 1.00 0.00 C ATOM 69 C SER A 6 10.500 10.828 -2.152 1.00 0.00 C ATOM 70 O SER A 6 11.450 10.660 -1.383 1.00 0.00 O ATOM 71 CB SER A 6 9.977 12.962 -0.932 1.00 0.00 C ATOM 72 OG SER A 6 9.325 14.220 -0.996 1.00 0.00 O ATOM 0 H SER A 6 7.946 11.203 -1.937 1.00 0.00 H new ATOM 0 HA SER A 6 10.193 12.738 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.591 12.391 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.043 13.110 -0.756 1.00 0.00 H new ATOM 0 HG SER A 6 9.469 14.706 -0.157 1.00 0.00 H new ATOM 77 N SER A 7 10.048 9.867 -2.949 1.00 0.00 N ATOM 78 CA SER A 7 10.668 8.552 -2.981 1.00 0.00 C ATOM 79 C SER A 7 10.517 7.934 -4.363 1.00 0.00 C ATOM 80 O SER A 7 9.760 8.434 -5.197 1.00 0.00 O ATOM 81 CB SER A 7 10.063 7.629 -1.918 1.00 0.00 C ATOM 82 OG SER A 7 8.692 7.396 -2.158 1.00 0.00 O ATOM 0 H SER A 7 9.255 9.976 -3.581 1.00 0.00 H new ATOM 0 HA SER A 7 11.728 8.672 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.599 6.680 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.191 8.075 -0.932 1.00 0.00 H new ATOM 0 HG SER A 7 8.514 6.433 -2.128 1.00 0.00 H new ATOM 87 N ARG A 8 11.248 6.860 -4.600 1.00 0.00 N ATOM 88 CA ARG A 8 11.206 6.169 -5.876 1.00 0.00 C ATOM 89 C ARG A 8 11.489 4.690 -5.666 1.00 0.00 C ATOM 90 O ARG A 8 11.899 4.290 -4.572 1.00 0.00 O ATOM 91 CB ARG A 8 12.225 6.775 -6.845 1.00 0.00 C ATOM 92 CG ARG A 8 13.666 6.651 -6.378 1.00 0.00 C ATOM 93 CD ARG A 8 14.618 7.341 -7.338 1.00 0.00 C ATOM 94 NE ARG A 8 14.487 6.826 -8.700 1.00 0.00 N ATOM 95 CZ ARG A 8 15.168 7.294 -9.741 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.052 8.272 -9.577 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.967 6.780 -10.945 1.00 0.00 N ATOM 0 H ARG A 8 11.883 6.444 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 8 10.212 6.283 -6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.124 6.288 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.990 7.829 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.768 7.088 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.933 5.598 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.423 8.413 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.643 7.203 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 8 13.833 6.060 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.210 8.666 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.573 8.628 -10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.291 6.027 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.488 7.137 -11.746 1.00 0.00 H new ATOM 108 N ASN A 9 11.265 3.890 -6.708 1.00 0.00 N ATOM 109 CA ASN A 9 11.504 2.446 -6.647 1.00 0.00 C ATOM 110 C ASN A 9 10.639 1.802 -5.570 1.00 0.00 C ATOM 111 O ASN A 9 11.134 1.091 -4.695 1.00 0.00 O ATOM 112 CB ASN A 9 12.993 2.159 -6.393 1.00 0.00 C ATOM 113 CG ASN A 9 13.862 2.479 -7.598 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.457 2.270 -8.740 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.051 3.013 -7.359 1.00 0.00 N ATOM 0 H ASN A 9 10.917 4.218 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 9 11.229 2.010 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.332 2.745 -5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.117 1.109 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.662 3.265 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.355 3.172 -6.398 1.00 0.00 H new ATOM 121 N ALA A 10 9.340 2.064 -5.645 1.00 0.00 N ATOM 122 CA ALA A 10 8.396 1.527 -4.680 1.00 0.00 C ATOM 123 C ALA A 10 7.852 0.179 -5.133 1.00 0.00 C ATOM 124 O ALA A 10 7.241 0.064 -6.200 1.00 0.00 O ATOM 125 CB ALA A 10 7.257 2.509 -4.454 1.00 0.00 C ATOM 0 H ALA A 10 8.918 2.647 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 10 8.924 1.376 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.557 2.094 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.657 3.449 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.739 2.689 -5.396 1.00 0.00 H new ATOM 131 N VAL A 11 8.089 -0.835 -4.319 1.00 0.00 N ATOM 132 CA VAL A 11 7.629 -2.186 -4.607 1.00 0.00 C ATOM 133 C VAL A 11 6.747 -2.694 -3.472 1.00 0.00 C ATOM 134 O VAL A 11 6.666 -2.065 -2.413 1.00 0.00 O ATOM 135 CB VAL A 11 8.812 -3.161 -4.812 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.658 -2.740 -6.004 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.666 -3.255 -3.557 1.00 0.00 C ATOM 0 H VAL A 11 8.604 -0.748 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 11 7.055 -2.145 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 11 8.400 -4.149 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.484 -3.440 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.043 -2.739 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.054 -1.739 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.490 -3.947 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.064 -2.270 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.057 -3.615 -2.728 1.00 0.00 H new ATOM 147 N LEU A 12 6.105 -3.835 -3.688 1.00 0.00 N ATOM 148 CA LEU A 12 5.226 -4.425 -2.687 1.00 0.00 C ATOM 149 C LEU A 12 5.909 -5.613 -2.031 1.00 0.00 C ATOM 150 O LEU A 12 6.214 -6.606 -2.697 1.00 0.00 O ATOM 151 CB LEU A 12 3.903 -4.894 -3.314 1.00 0.00 C ATOM 152 CG LEU A 12 2.923 -3.799 -3.751 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.680 -2.818 -2.617 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.416 -3.083 -5.002 1.00 0.00 C ATOM 0 H LEU A 12 6.177 -4.372 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 12 5.010 -3.659 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.137 -5.508 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.396 -5.538 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 12 1.974 -4.274 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.982 -2.048 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.260 -3.347 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.623 -2.354 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.699 -2.313 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.383 -2.622 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.519 -3.801 -5.816 1.00 0.00 H new ATOM 165 N THR A 13 6.161 -5.509 -0.739 1.00 0.00 N ATOM 166 CA THR A 13 6.806 -6.581 -0.002 1.00 0.00 C ATOM 167 C THR A 13 5.834 -7.239 0.972 1.00 0.00 C ATOM 168 O THR A 13 4.732 -6.722 1.212 1.00 0.00 O ATOM 169 CB THR A 13 8.048 -6.075 0.759 1.00 0.00 C ATOM 170 OG1 THR A 13 7.721 -4.920 1.542 1.00 0.00 O ATOM 171 CG2 THR A 13 9.169 -5.734 -0.207 1.00 0.00 C ATOM 0 H THR A 13 5.928 -4.691 -0.177 1.00 0.00 H new ATOM 0 HA THR A 13 7.129 -7.323 -0.732 1.00 0.00 H new ATOM 0 HB THR A 13 8.384 -6.873 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.011 -4.112 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.035 -5.379 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.443 -6.623 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.835 -4.955 -0.892 1.00 0.00 H new ATOM 179 N ASN A 14 6.241 -8.391 1.510 1.00 0.00 N ATOM 180 CA ASN A 14 5.431 -9.146 2.467 1.00 0.00 C ATOM 181 C ASN A 14 4.070 -9.486 1.878 1.00 0.00 C ATOM 182 O ASN A 14 3.031 -9.141 2.441 1.00 0.00 O ATOM 183 CB ASN A 14 5.265 -8.366 3.773 1.00 0.00 C ATOM 184 CG ASN A 14 6.539 -8.317 4.590 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.339 -9.252 4.575 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.741 -7.222 5.302 1.00 0.00 N ATOM 0 H ASN A 14 7.139 -8.825 1.295 1.00 0.00 H new ATOM 0 HA ASN A 14 5.953 -10.078 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.944 -7.349 3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.474 -8.824 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.585 -7.129 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.053 -6.470 5.287 1.00 0.00 H new ATOM 192 N GLY A 15 4.084 -10.143 0.727 1.00 0.00 N ATOM 193 CA GLY A 15 2.846 -10.519 0.066 1.00 0.00 C ATOM 194 C GLY A 15 2.257 -9.381 -0.745 1.00 0.00 C ATOM 195 O GLY A 15 1.711 -9.593 -1.831 1.00 0.00 O ATOM 0 H GLY A 15 4.933 -10.424 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.031 -11.371 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.122 -10.842 0.813 1.00 0.00 H new ATOM 199 N GLY A 16 2.367 -8.177 -0.214 1.00 0.00 N ATOM 200 CA GLY A 16 1.844 -7.010 -0.886 1.00 0.00 C ATOM 201 C GLY A 16 1.138 -6.091 0.078 1.00 0.00 C ATOM 202 O GLY A 16 0.128 -5.479 -0.257 1.00 0.00 O ATOM 0 H GLY A 16 2.815 -7.985 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.658 -6.473 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.152 -7.319 -1.670 1.00 0.00 H new ATOM 206 N ARG A 17 1.675 -6.000 1.282 1.00 0.00 N ATOM 207 CA ARG A 17 1.090 -5.165 2.315 1.00 0.00 C ATOM 208 C ARG A 17 2.081 -4.107 2.777 1.00 0.00 C ATOM 209 O ARG A 17 1.693 -3.066 3.314 1.00 0.00 O ATOM 210 CB ARG A 17 0.669 -6.027 3.506 1.00 0.00 C ATOM 211 CG ARG A 17 1.833 -6.718 4.199 1.00 0.00 C ATOM 212 CD ARG A 17 1.362 -7.599 5.340 1.00 0.00 C ATOM 213 NE ARG A 17 2.476 -8.138 6.116 1.00 0.00 N ATOM 214 CZ ARG A 17 2.792 -7.729 7.345 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.103 -6.751 7.927 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.801 -8.297 7.991 1.00 0.00 N ATOM 0 H ARG A 17 2.519 -6.496 1.569 1.00 0.00 H new ATOM 0 HA ARG A 17 0.215 -4.667 1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.146 -5.402 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.040 -6.782 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.381 -7.321 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.527 -5.969 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.709 -7.023 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.768 -8.421 4.941 1.00 0.00 H new ATOM 0 HE ARG A 17 3.046 -8.870 5.693 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.328 -6.309 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.350 -6.443 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.334 -9.045 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.044 -7.986 8.931 1.00 0.00 H new ATOM 227 N THR A 18 3.356 -4.382 2.573 1.00 0.00 N ATOM 228 CA THR A 18 4.402 -3.471 2.978 1.00 0.00 C ATOM 229 C THR A 18 4.958 -2.713 1.775 1.00 0.00 C ATOM 230 O THR A 18 5.203 -3.294 0.715 1.00 0.00 O ATOM 231 CB THR A 18 5.535 -4.241 3.676 1.00 0.00 C ATOM 232 OG1 THR A 18 4.975 -5.215 4.572 1.00 0.00 O ATOM 233 CG2 THR A 18 6.444 -3.298 4.450 1.00 0.00 C ATOM 0 H THR A 18 3.690 -5.236 2.126 1.00 0.00 H new ATOM 0 HA THR A 18 3.974 -2.751 3.675 1.00 0.00 H new ATOM 0 HB THR A 18 6.131 -4.740 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.659 -4.768 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.236 -3.871 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.886 -2.574 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.863 -2.772 5.207 1.00 0.00 H new ATOM 241 N LEU A 19 5.125 -1.411 1.940 1.00 0.00 N ATOM 242 CA LEU A 19 5.662 -0.565 0.887 1.00 0.00 C ATOM 243 C LEU A 19 7.156 -0.383 1.066 1.00 0.00 C ATOM 244 O LEU A 19 7.597 0.180 2.066 1.00 0.00 O ATOM 245 CB LEU A 19 4.993 0.811 0.896 1.00 0.00 C ATOM 246 CG LEU A 19 3.535 0.843 0.456 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.002 2.264 0.530 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.390 0.292 -0.952 1.00 0.00 C ATOM 0 H LEU A 19 4.894 -0.914 2.800 1.00 0.00 H new ATOM 0 HA LEU A 19 5.461 -1.056 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.057 1.219 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.563 1.475 0.247 1.00 0.00 H new ATOM 0 HG LEU A 19 2.952 0.214 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.959 2.278 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.075 2.627 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.589 2.907 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.342 0.323 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.980 0.896 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.744 -0.739 -0.978 1.00 0.00 H new ATOM 259 N ARG A 20 7.927 -0.868 0.113 1.00 0.00 N ATOM 260 CA ARG A 20 9.371 -0.729 0.166 1.00 0.00 C ATOM 261 C ARG A 20 9.823 0.230 -0.926 1.00 0.00 C ATOM 262 O ARG A 20 9.584 -0.019 -2.107 1.00 0.00 O ATOM 263 CB ARG A 20 10.038 -2.090 -0.028 1.00 0.00 C ATOM 264 CG ARG A 20 11.547 -2.048 0.008 1.00 0.00 C ATOM 265 CD ARG A 20 12.118 -3.256 -0.705 1.00 0.00 C ATOM 266 NE ARG A 20 13.569 -3.261 -0.684 1.00 0.00 N ATOM 267 CZ ARG A 20 14.336 -2.924 -1.721 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.780 -2.487 -2.847 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.655 -3.017 -1.629 1.00 0.00 N ATOM 0 H ARG A 20 7.579 -1.362 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 20 9.660 -0.335 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.686 -2.769 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.720 -2.506 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.905 -1.134 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.894 -2.028 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.745 -4.165 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.770 -3.266 -1.738 1.00 0.00 H new ATOM 0 HE ARG A 20 14.032 -3.541 0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.765 -2.409 -2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.368 -2.229 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.084 -3.347 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.241 -2.759 -2.423 1.00 0.00 H new ATOM 280 N ALA A 21 10.466 1.321 -0.537 1.00 0.00 N ATOM 281 CA ALA A 21 10.932 2.304 -1.505 1.00 0.00 C ATOM 282 C ALA A 21 12.131 3.076 -0.981 1.00 0.00 C ATOM 283 O ALA A 21 12.438 3.034 0.215 1.00 0.00 O ATOM 284 CB ALA A 21 9.805 3.264 -1.847 1.00 0.00 C ATOM 0 H ALA A 21 10.676 1.548 0.435 1.00 0.00 H new ATOM 0 HA ALA A 21 11.244 1.772 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.159 3.997 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.970 2.708 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.477 3.777 -0.943 1.00 0.00 H new ATOM 290 N GLU A 22 12.795 3.792 -1.881 1.00 0.00 N ATOM 291 CA GLU A 22 13.936 4.610 -1.513 1.00 0.00 C ATOM 292 C GLU A 22 13.407 5.981 -1.156 1.00 0.00 C ATOM 293 O GLU A 22 12.998 6.743 -2.030 1.00 0.00 O ATOM 294 CB GLU A 22 14.940 4.705 -2.671 1.00 0.00 C ATOM 295 CG GLU A 22 15.403 3.343 -3.168 1.00 0.00 C ATOM 296 CD GLU A 22 16.490 3.429 -4.218 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.291 4.127 -5.230 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.540 2.772 -4.045 1.00 0.00 O ATOM 0 H GLU A 22 12.559 3.820 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 22 14.464 4.167 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.484 5.251 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.807 5.282 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.769 2.760 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.550 2.805 -3.581 1.00 0.00 H new ATOM 303 N CYS A 23 13.387 6.278 0.130 1.00 0.00 N ATOM 304 CA CYS A 23 12.861 7.537 0.608 1.00 0.00 C ATOM 305 C CYS A 23 13.959 8.574 0.738 1.00 0.00 C ATOM 306 O CYS A 23 15.002 8.312 1.331 1.00 0.00 O ATOM 307 CB CYS A 23 12.175 7.319 1.952 1.00 0.00 C ATOM 308 SG CYS A 23 10.896 6.044 1.915 1.00 0.00 S ATOM 0 H CYS A 23 13.732 5.659 0.864 1.00 0.00 H new ATOM 0 HA CYS A 23 12.136 7.911 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.926 7.047 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.730 8.259 2.280 1.00 0.00 H new ATOM 0 HG CYS A 23 9.779 6.561 1.496 1.00 0.00 H new ATOM 313 N ARG A 24 13.733 9.737 0.154 1.00 0.00 N ATOM 314 CA ARG A 24 14.683 10.812 0.219 1.00 0.00 C ATOM 315 C ARG A 24 14.609 11.502 1.573 1.00 0.00 C ATOM 316 O ARG A 24 13.575 12.066 1.936 1.00 0.00 O ATOM 317 CB ARG A 24 14.367 11.801 -0.887 1.00 0.00 C ATOM 318 CG ARG A 24 15.516 12.712 -1.230 1.00 0.00 C ATOM 319 CD ARG A 24 15.197 13.509 -2.470 1.00 0.00 C ATOM 320 NE ARG A 24 14.253 14.597 -2.200 1.00 0.00 N ATOM 321 CZ ARG A 24 14.468 15.876 -2.517 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.622 16.256 -3.049 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.527 16.785 -2.283 1.00 0.00 N ATOM 0 H ARG A 24 12.888 9.954 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 24 15.692 10.420 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.071 11.251 -1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.511 12.406 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.716 13.386 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.420 12.125 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.118 13.923 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.779 12.847 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 24 13.374 14.362 -1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.356 15.568 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.776 17.236 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.641 16.505 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.691 17.762 -2.525 1.00 0.00 H new ATOM 334 N ASN A 25 15.691 11.435 2.331 1.00 0.00 N ATOM 335 CA ASN A 25 15.732 12.074 3.635 1.00 0.00 C ATOM 336 C ASN A 25 16.124 13.538 3.481 1.00 0.00 C ATOM 337 O ASN A 25 16.525 13.944 2.387 1.00 0.00 O ATOM 338 CB ASN A 25 16.691 11.350 4.594 1.00 0.00 C ATOM 339 CG ASN A 25 18.136 11.321 4.119 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.599 12.217 3.422 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.858 10.283 4.497 1.00 0.00 N ATOM 0 H ASN A 25 16.548 10.948 2.068 1.00 0.00 H new ATOM 0 HA ASN A 25 14.736 12.015 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.649 11.836 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.345 10.326 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.834 10.208 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.440 9.555 5.077 1.00 0.00 H new ATOM 347 N ALA A 26 16.026 14.308 4.562 1.00 0.00 N ATOM 348 CA ALA A 26 16.358 15.740 4.545 1.00 0.00 C ATOM 349 C ALA A 26 17.739 16.017 3.945 1.00 0.00 C ATOM 350 O ALA A 26 17.952 17.045 3.301 1.00 0.00 O ATOM 351 CB ALA A 26 16.280 16.306 5.955 1.00 0.00 C ATOM 0 H ALA A 26 15.717 13.965 5.471 1.00 0.00 H new ATOM 0 HA ALA A 26 15.626 16.233 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.527 17.367 5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.270 16.176 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.987 15.781 6.597 1.00 0.00 H new ATOM 357 N ASP A 27 18.658 15.078 4.123 1.00 0.00 N ATOM 358 CA ASP A 27 20.021 15.226 3.616 1.00 0.00 C ATOM 359 C ASP A 27 20.053 15.045 2.099 1.00 0.00 C ATOM 360 O ASP A 27 21.043 15.356 1.431 1.00 0.00 O ATOM 361 CB ASP A 27 20.932 14.203 4.303 1.00 0.00 C ATOM 362 CG ASP A 27 22.369 14.261 3.825 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.078 15.229 4.170 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.804 13.325 3.123 1.00 0.00 O ATOM 0 H ASP A 27 18.486 14.202 4.616 1.00 0.00 H new ATOM 0 HA ASP A 27 20.380 16.231 3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.908 14.371 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.539 13.202 4.128 1.00 0.00 H new ATOM 368 N GLY A 28 18.943 14.563 1.560 1.00 0.00 N ATOM 369 CA GLY A 28 18.839 14.325 0.137 1.00 0.00 C ATOM 370 C GLY A 28 19.377 12.962 -0.214 1.00 0.00 C ATOM 371 O GLY A 28 19.803 12.719 -1.343 1.00 0.00 O ATOM 0 H GLY A 28 18.104 14.330 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.797 14.402 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.392 15.091 -0.407 1.00 0.00 H new ATOM 375 N ASN A 29 19.349 12.069 0.765 1.00 0.00 N ATOM 376 CA ASN A 29 19.865 10.716 0.581 1.00 0.00 C ATOM 377 C ASN A 29 18.717 9.730 0.440 1.00 0.00 C ATOM 378 O ASN A 29 17.610 9.984 0.915 1.00 0.00 O ATOM 379 CB ASN A 29 20.746 10.310 1.770 1.00 0.00 C ATOM 380 CG ASN A 29 21.851 9.334 1.387 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.712 8.543 0.452 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.961 9.378 2.111 1.00 0.00 N ATOM 0 H ASN A 29 18.975 12.255 1.696 1.00 0.00 H new ATOM 0 HA ASN A 29 20.466 10.701 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.193 11.204 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.121 9.858 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.733 8.745 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.043 10.045 2.878 1.00 0.00 H new ATOM 388 N TRP A 30 18.988 8.605 -0.198 1.00 0.00 N ATOM 389 CA TRP A 30 17.978 7.581 -0.406 1.00 0.00 C ATOM 390 C TRP A 30 18.091 6.493 0.644 1.00 0.00 C ATOM 391 O TRP A 30 19.104 5.799 0.729 1.00 0.00 O ATOM 392 CB TRP A 30 18.112 6.963 -1.796 1.00 0.00 C ATOM 393 CG TRP A 30 17.875 7.938 -2.901 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.795 8.407 -3.789 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.638 8.573 -3.227 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.199 9.293 -4.651 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.877 9.412 -4.324 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.352 8.512 -2.694 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.876 10.189 -4.897 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.358 9.279 -3.267 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.623 10.108 -4.358 1.00 0.00 C ATOM 0 H TRP A 30 19.904 8.376 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 30 17.001 8.057 -0.321 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.110 6.539 -1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.404 6.139 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.837 8.124 -3.811 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.667 9.784 -5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.137 7.876 -1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.082 10.834 -5.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.357 9.237 -2.864 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.823 10.696 -4.784 1.00 0.00 H new ATOM 411 N VAL A 31 17.060 6.364 1.456 1.00 0.00 N ATOM 412 CA VAL A 31 17.027 5.350 2.491 1.00 0.00 C ATOM 413 C VAL A 31 15.865 4.396 2.260 1.00 0.00 C ATOM 414 O VAL A 31 14.726 4.823 2.057 1.00 0.00 O ATOM 415 CB VAL A 31 16.937 5.962 3.907 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.286 6.523 4.332 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.875 7.050 3.972 1.00 0.00 C ATOM 0 H VAL A 31 16.229 6.954 1.418 1.00 0.00 H new ATOM 0 HA VAL A 31 17.966 4.800 2.432 1.00 0.00 H new ATOM 0 HB VAL A 31 16.651 5.166 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.204 6.950 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.027 5.723 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.595 7.298 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.836 7.461 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.123 7.843 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.904 6.627 3.715 1.00 0.00 H new ATOM 427 N THR A 32 16.162 3.107 2.257 1.00 0.00 N ATOM 428 CA THR A 32 15.147 2.095 2.044 1.00 0.00 C ATOM 429 C THR A 32 14.282 1.942 3.288 1.00 0.00 C ATOM 430 O THR A 32 14.735 1.433 4.316 1.00 0.00 O ATOM 431 CB THR A 32 15.786 0.736 1.691 1.00 0.00 C ATOM 432 OG1 THR A 32 16.751 0.912 0.644 1.00 0.00 O ATOM 433 CG2 THR A 32 14.728 -0.263 1.246 1.00 0.00 C ATOM 0 H THR A 32 17.102 2.738 2.400 1.00 0.00 H new ATOM 0 HA THR A 32 14.525 2.417 1.208 1.00 0.00 H new ATOM 0 HB THR A 32 16.277 0.346 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.156 0.047 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.204 -1.213 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.008 -0.413 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.213 0.121 0.365 1.00 0.00 H new ATOM 441 N SER A 33 13.042 2.391 3.185 1.00 0.00 N ATOM 442 CA SER A 33 12.107 2.315 4.290 1.00 0.00 C ATOM 443 C SER A 33 10.870 1.528 3.886 1.00 0.00 C ATOM 444 O SER A 33 10.465 1.551 2.721 1.00 0.00 O ATOM 445 CB SER A 33 11.716 3.723 4.743 1.00 0.00 C ATOM 446 OG SER A 33 12.842 4.435 5.231 1.00 0.00 O ATOM 0 H SER A 33 12.660 2.815 2.340 1.00 0.00 H new ATOM 0 HA SER A 33 12.588 1.798 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.272 4.266 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.957 3.660 5.522 1.00 0.00 H new ATOM 0 HG SER A 33 12.632 5.392 5.270 1.00 0.00 H new ATOM 451 N GLU A 34 10.283 0.824 4.847 1.00 0.00 N ATOM 452 CA GLU A 34 9.094 0.029 4.592 1.00 0.00 C ATOM 453 C GLU A 34 7.997 0.348 5.600 1.00 0.00 C ATOM 454 O GLU A 34 8.271 0.596 6.775 1.00 0.00 O ATOM 455 CB GLU A 34 9.427 -1.462 4.638 1.00 0.00 C ATOM 456 CG GLU A 34 10.366 -1.912 3.535 1.00 0.00 C ATOM 457 CD GLU A 34 10.643 -3.398 3.583 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.459 -3.822 4.428 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.046 -4.146 2.780 1.00 0.00 O ATOM 0 H GLU A 34 10.614 0.790 5.811 1.00 0.00 H new ATOM 0 HA GLU A 34 8.731 0.281 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.877 -1.695 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.502 -2.034 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.934 -1.657 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.306 -1.367 3.618 1.00 0.00 H new ATOM 464 N LEU A 35 6.759 0.351 5.127 1.00 0.00 N ATOM 465 CA LEU A 35 5.603 0.633 5.972 1.00 0.00 C ATOM 466 C LEU A 35 4.507 -0.378 5.662 1.00 0.00 C ATOM 467 O LEU A 35 4.205 -0.630 4.494 1.00 0.00 O ATOM 468 CB LEU A 35 5.100 2.067 5.722 1.00 0.00 C ATOM 469 CG LEU A 35 4.198 2.691 6.804 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.804 2.086 6.789 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.826 2.534 8.179 1.00 0.00 C ATOM 0 H LEU A 35 6.526 0.159 4.153 1.00 0.00 H new ATOM 0 HA LEU A 35 5.885 0.551 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.969 2.713 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.553 2.074 4.779 1.00 0.00 H new ATOM 0 HG LEU A 35 4.103 3.753 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.197 2.551 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.343 2.258 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.871 1.014 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.174 2.981 8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.960 1.475 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.795 3.034 8.196 1.00 0.00 H new ATOM 482 N ASP A 36 3.926 -0.961 6.699 1.00 0.00 N ATOM 483 CA ASP A 36 2.864 -1.949 6.528 1.00 0.00 C ATOM 484 C ASP A 36 1.516 -1.252 6.497 1.00 0.00 C ATOM 485 O ASP A 36 1.049 -0.732 7.511 1.00 0.00 O ATOM 486 CB ASP A 36 2.895 -2.975 7.662 1.00 0.00 C ATOM 487 CG ASP A 36 4.252 -3.623 7.813 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.571 -4.543 7.035 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.014 -3.207 8.713 1.00 0.00 O ATOM 0 H ASP A 36 4.170 -0.769 7.671 1.00 0.00 H new ATOM 0 HA ASP A 36 3.022 -2.472 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.622 -2.487 8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.146 -3.745 7.473 1.00 0.00 H new ATOM 493 N LEU A 37 0.891 -1.244 5.331 1.00 0.00 N ATOM 494 CA LEU A 37 -0.396 -0.584 5.157 1.00 0.00 C ATOM 495 C LEU A 37 -1.545 -1.465 5.616 1.00 0.00 C ATOM 496 O LEU A 37 -2.626 -0.968 5.924 1.00 0.00 O ATOM 497 CB LEU A 37 -0.620 -0.227 3.690 1.00 0.00 C ATOM 498 CG LEU A 37 0.629 0.134 2.895 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.250 0.482 1.471 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.368 1.286 3.549 1.00 0.00 C ATOM 0 H LEU A 37 1.254 -1.688 4.488 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.374 0.319 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.107 -1.071 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.313 0.613 3.642 1.00 0.00 H new ATOM 0 HG LEU A 37 1.296 -0.728 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.147 0.739 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.238 -0.374 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.433 1.332 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.256 1.527 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.716 2.158 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.664 1.002 4.559 1.00 0.00 H new ATOM 511 N ASP A 38 -1.308 -2.770 5.686 1.00 0.00 N ATOM 512 CA ASP A 38 -2.357 -3.705 6.085 1.00 0.00 C ATOM 513 C ASP A 38 -2.752 -3.503 7.539 1.00 0.00 C ATOM 514 O ASP A 38 -3.680 -4.135 8.026 1.00 0.00 O ATOM 515 CB ASP A 38 -1.944 -5.161 5.838 1.00 0.00 C ATOM 516 CG ASP A 38 -0.954 -5.690 6.854 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.148 -5.120 6.970 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.265 -6.707 7.506 1.00 0.00 O ATOM 0 H ASP A 38 -0.409 -3.203 5.474 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.226 -3.494 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.834 -5.790 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.509 -5.243 4.842 1.00 0.00 H new ATOM 522 N THR A 39 -2.044 -2.627 8.227 1.00 0.00 N ATOM 523 CA THR A 39 -2.349 -2.326 9.611 1.00 0.00 C ATOM 524 C THR A 39 -3.616 -1.478 9.701 1.00 0.00 C ATOM 525 O THR A 39 -4.352 -1.536 10.690 1.00 0.00 O ATOM 526 CB THR A 39 -1.182 -1.573 10.277 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.831 -0.425 9.488 1.00 0.00 O ATOM 528 CG2 THR A 39 0.028 -2.484 10.428 1.00 0.00 C ATOM 0 H THR A 39 -1.251 -2.110 7.847 1.00 0.00 H new ATOM 0 HA THR A 39 -2.505 -3.269 10.134 1.00 0.00 H new ATOM 0 HB THR A 39 -1.498 -1.249 11.269 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.097 -0.657 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.841 -1.933 10.900 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.237 -3.341 11.047 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.347 -2.831 9.445 1.00 0.00 H new ATOM 536 N CYS A 40 -3.877 -0.702 8.652 1.00 0.00 N ATOM 537 CA CYS A 40 -5.046 0.165 8.619 1.00 0.00 C ATOM 538 C CYS A 40 -5.896 -0.068 7.364 1.00 0.00 C ATOM 539 O CYS A 40 -6.963 0.518 7.220 1.00 0.00 O ATOM 540 CB CYS A 40 -4.611 1.630 8.701 1.00 0.00 C ATOM 541 SG CYS A 40 -5.958 2.797 9.028 1.00 0.00 S ATOM 0 H CYS A 40 -3.294 -0.658 7.816 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.666 -0.079 9.482 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.862 1.730 9.487 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.128 1.905 7.763 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.029 2.409 8.402 1.00 0.00 H new ATOM 546 N ILE A 41 -5.441 -0.922 6.456 1.00 0.00 N ATOM 547 CA ILE A 41 -6.212 -1.201 5.249 1.00 0.00 C ATOM 548 C ILE A 41 -6.883 -2.568 5.343 1.00 0.00 C ATOM 549 O ILE A 41 -6.258 -3.551 5.747 1.00 0.00 O ATOM 550 CB ILE A 41 -5.351 -1.152 3.966 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.684 0.215 3.815 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.208 -1.455 2.743 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.834 0.337 2.568 1.00 0.00 C ATOM 0 H ILE A 41 -4.557 -1.426 6.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.965 -0.416 5.180 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.572 -1.910 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.454 0.986 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.062 0.406 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.589 -1.417 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.644 -2.449 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.005 -0.716 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.391 1.332 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.042 -0.412 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.456 0.178 1.687 1.00 0.00 H new ATOM 564 N GLY A 42 -8.155 -2.615 4.971 1.00 0.00 N ATOM 565 CA GLY A 42 -8.906 -3.854 5.002 1.00 0.00 C ATOM 566 C GLY A 42 -9.979 -3.878 3.935 1.00 0.00 C ATOM 567 O GLY A 42 -10.385 -2.819 3.442 1.00 0.00 O ATOM 0 H GLY A 42 -8.685 -1.807 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.228 -4.695 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.364 -3.979 5.983 1.00 0.00 H new ATOM 571 N ASN A 43 -10.434 -5.077 3.570 1.00 0.00 N ATOM 572 CA ASN A 43 -11.468 -5.226 2.544 1.00 0.00 C ATOM 573 C ASN A 43 -12.123 -6.617 2.560 1.00 0.00 C ATOM 574 O ASN A 43 -12.172 -7.292 1.531 1.00 0.00 O ATOM 575 CB ASN A 43 -10.886 -4.956 1.151 1.00 0.00 C ATOM 576 CG ASN A 43 -9.584 -5.692 0.889 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.505 -5.145 1.089 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.675 -6.938 0.459 1.00 0.00 N ATOM 0 H ASN A 43 -10.105 -5.957 3.968 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.240 -4.492 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.617 -5.247 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.719 -3.885 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.829 -7.479 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.591 -7.358 0.304 1.00 0.00 H new ATOM 584 N PRO A 44 -12.691 -7.052 3.700 1.00 0.00 N ATOM 585 CA PRO A 44 -13.338 -8.371 3.799 1.00 0.00 C ATOM 586 C PRO A 44 -14.596 -8.459 2.938 1.00 0.00 C ATOM 587 O PRO A 44 -15.001 -9.540 2.511 1.00 0.00 O ATOM 588 CB PRO A 44 -13.695 -8.486 5.282 1.00 0.00 C ATOM 589 CG PRO A 44 -13.790 -7.080 5.759 1.00 0.00 C ATOM 590 CD PRO A 44 -12.771 -6.308 4.972 1.00 0.00 C ATOM 0 HA PRO A 44 -12.689 -9.172 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.637 -9.016 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.933 -9.039 5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.791 -6.680 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.588 -7.016 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.082 -5.275 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.808 -6.277 5.482 1.00 0.00 H new ATOM 595 N ASN A 45 -15.207 -7.308 2.681 1.00 0.00 N ATOM 596 CA ASN A 45 -16.417 -7.247 1.870 1.00 0.00 C ATOM 597 C ASN A 45 -16.089 -6.906 0.426 1.00 0.00 C ATOM 598 O ASN A 45 -16.982 -6.746 -0.403 1.00 0.00 O ATOM 599 CB ASN A 45 -17.409 -6.225 2.433 1.00 0.00 C ATOM 600 CG ASN A 45 -18.072 -6.702 3.711 1.00 0.00 C ATOM 601 OD1 ASN A 45 -18.194 -7.903 3.953 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.513 -5.763 4.533 1.00 0.00 N ATOM 0 H ASN A 45 -14.884 -6.403 3.023 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.879 -8.234 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.889 -5.287 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.175 -6.017 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.974 -6.024 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.392 -4.779 4.295 1.00 0.00 H new ATOM 608 N GLY A 46 -14.804 -6.804 0.122 1.00 0.00 N ATOM 609 CA GLY A 46 -14.396 -6.494 -1.232 1.00 0.00 C ATOM 610 C GLY A 46 -14.267 -5.013 -1.492 1.00 0.00 C ATOM 611 O GLY A 46 -14.158 -4.584 -2.640 1.00 0.00 O ATOM 0 H GLY A 46 -14.039 -6.930 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.440 -6.976 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.121 -6.916 -1.928 1.00 0.00 H new ATOM 615 N PHE A 47 -14.293 -4.223 -0.437 1.00 0.00 N ATOM 616 CA PHE A 47 -14.169 -2.785 -0.581 1.00 0.00 C ATOM 617 C PHE A 47 -12.930 -2.297 0.142 1.00 0.00 C ATOM 618 O PHE A 47 -12.768 -2.521 1.341 1.00 0.00 O ATOM 619 CB PHE A 47 -15.420 -2.082 -0.068 1.00 0.00 C ATOM 620 CG PHE A 47 -16.672 -2.540 -0.766 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.734 -2.575 -2.153 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.782 -2.931 -0.040 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.882 -2.994 -2.797 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.932 -3.351 -0.678 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.984 -3.384 -2.059 1.00 0.00 C ATOM 0 H PHE A 47 -14.398 -4.549 0.524 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.066 -2.544 -1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.519 -2.262 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.308 -1.006 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.876 -2.271 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.749 -2.908 1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.919 -3.017 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.791 -3.654 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.882 -3.713 -2.560 1.00 0.00 H new ATOM 634 N LEU A 48 -12.073 -1.629 -0.602 1.00 0.00 N ATOM 635 CA LEU A 48 -10.816 -1.118 -0.077 1.00 0.00 C ATOM 636 C LEU A 48 -10.998 0.214 0.613 1.00 0.00 C ATOM 637 O LEU A 48 -11.710 1.091 0.119 1.00 0.00 O ATOM 638 CB LEU A 48 -9.812 -0.937 -1.209 1.00 0.00 C ATOM 639 CG LEU A 48 -8.849 -2.103 -1.446 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.600 -3.357 -1.825 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.843 -1.747 -2.523 1.00 0.00 C ATOM 0 H LEU A 48 -12.225 -1.423 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.451 -1.845 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.364 -0.754 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.224 -0.042 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.315 -2.295 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.892 -4.170 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.285 -3.628 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.166 -3.180 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.165 -2.586 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.368 -1.526 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.271 -0.872 -2.212 1.00 0.00 H new ATOM 652 N GLY A 49 -10.347 0.363 1.748 1.00 0.00 N ATOM 653 CA GLY A 49 -10.421 1.597 2.481 1.00 0.00 C ATOM 654 C GLY A 49 -9.600 1.538 3.741 1.00 0.00 C ATOM 655 O GLY A 49 -9.083 0.475 4.101 1.00 0.00 O ATOM 0 H GLY A 49 -9.764 -0.356 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.069 2.416 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.460 1.811 2.732 1.00 0.00 H new ATOM 659 N TRP A 50 -9.476 2.667 4.412 1.00 0.00 N ATOM 660 CA TRP A 50 -8.707 2.736 5.637 1.00 0.00 C ATOM 661 C TRP A 50 -9.636 2.564 6.830 1.00 0.00 C ATOM 662 O TRP A 50 -10.629 3.282 6.962 1.00 0.00 O ATOM 663 CB TRP A 50 -7.962 4.075 5.728 1.00 0.00 C ATOM 664 CG TRP A 50 -6.947 4.287 4.638 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.149 4.876 3.420 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.563 3.916 4.677 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.971 4.895 2.703 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.988 4.307 3.452 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.758 3.290 5.629 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.644 4.089 3.158 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.424 3.075 5.336 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.880 3.474 4.110 1.00 0.00 C ATOM 0 H TRP A 50 -9.899 3.550 4.128 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.968 1.935 5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.689 4.886 5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.460 4.135 6.694 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.093 5.269 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.852 5.284 1.768 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.169 2.979 6.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.221 4.395 2.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.791 2.591 6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.834 3.292 3.912 1.00 0.00 H new ATOM 682 N GLY A 51 -9.325 1.597 7.680 1.00 0.00 N ATOM 683 CA GLY A 51 -10.145 1.342 8.844 1.00 0.00 C ATOM 684 C GLY A 51 -9.855 0.000 9.491 1.00 0.00 C ATOM 685 O GLY A 51 -9.547 -0.062 10.682 1.00 0.00 O ATOM 0 H GLY A 51 -8.516 0.983 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.984 2.134 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.196 1.381 8.557 1.00 0.00 H new ATOM 689 N MET A 52 -9.943 -1.074 8.711 1.00 0.00 N ATOM 690 CA MET A 52 -9.703 -2.422 9.228 1.00 0.00 C ATOM 691 C MET A 52 -8.230 -2.803 9.050 1.00 0.00 C ATOM 692 O MET A 52 -7.377 -1.928 8.954 1.00 0.00 O ATOM 693 CB MET A 52 -10.610 -3.425 8.509 1.00 0.00 C ATOM 694 CG MET A 52 -11.081 -4.566 9.401 1.00 0.00 C ATOM 695 SD MET A 52 -12.010 -5.814 8.493 1.00 0.00 S ATOM 696 CE MET A 52 -12.394 -6.968 9.807 1.00 0.00 C ATOM 0 H MET A 52 -10.178 -1.039 7.719 1.00 0.00 H new ATOM 0 HA MET A 52 -9.936 -2.442 10.293 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.480 -2.899 8.116 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.075 -3.839 7.655 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.217 -5.033 9.874 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.704 -4.164 10.200 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.969 -7.801 9.403 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.468 -7.344 10.243 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.978 -6.463 10.576 1.00 0.00 H new ATOM 704 N GLN A 53 -7.922 -4.098 9.040 1.00 0.00 N ATOM 705 CA GLN A 53 -6.545 -4.542 8.882 1.00 0.00 C ATOM 706 C GLN A 53 -6.470 -5.884 8.154 1.00 0.00 C ATOM 707 O GLN A 53 -7.484 -6.570 7.986 1.00 0.00 O ATOM 708 CB GLN A 53 -5.867 -4.657 10.250 1.00 0.00 C ATOM 709 CG GLN A 53 -6.534 -5.658 11.175 1.00 0.00 C ATOM 710 CD GLN A 53 -5.766 -5.870 12.462 1.00 0.00 C ATOM 711 OE1 GLN A 53 -6.082 -5.087 13.477 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -4.900 -6.742 12.543 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.603 -4.851 9.139 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.024 -3.799 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.825 -4.945 10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.865 -3.678 10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.541 -5.313 11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.637 -6.612 10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.687 -7.326 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.396 -6.881 13.419 1.00 0.00 H new ATOM 719 N ASN A 54 -5.255 -6.240 7.740 1.00 0.00 N ATOM 720 CA ASN A 54 -4.970 -7.499 7.051 1.00 0.00 C ATOM 721 C ASN A 54 -5.672 -7.607 5.703 1.00 0.00 C ATOM 722 O ASN A 54 -6.278 -8.633 5.392 1.00 0.00 O ATOM 723 CB ASN A 54 -5.332 -8.698 7.936 1.00 0.00 C ATOM 724 CG ASN A 54 -4.237 -9.037 8.931 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.287 -8.433 10.107 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.350 -9.839 8.641 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.430 -5.655 7.875 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.898 -7.508 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.254 -8.482 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.527 -9.565 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.345 -10.285 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.619 -10.058 9.318 1.00 0.00 H new ATOM 732 N PHE A 55 -5.562 -6.565 4.888 1.00 0.00 N ATOM 733 CA PHE A 55 -6.185 -6.570 3.570 1.00 0.00 C ATOM 734 C PHE A 55 -5.472 -7.557 2.647 1.00 0.00 C ATOM 735 O PHE A 55 -6.075 -8.115 1.737 1.00 0.00 O ATOM 736 CB PHE A 55 -6.181 -5.165 2.952 1.00 0.00 C ATOM 737 CG PHE A 55 -4.889 -4.762 2.287 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.783 -4.410 3.038 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.791 -4.724 0.903 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.601 -4.030 2.428 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.613 -4.342 0.288 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.517 -3.995 1.052 1.00 0.00 C ATOM 0 H PHE A 55 -5.051 -5.712 5.114 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.222 -6.885 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.984 -5.106 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.411 -4.441 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.843 -4.432 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.644 -4.996 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.745 -3.761 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.550 -4.315 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.596 -3.697 0.573 1.00 0.00 H new ATOM 751 N SER A 56 -4.185 -7.779 2.909 1.00 0.00 N ATOM 752 CA SER A 56 -3.369 -8.692 2.112 1.00 0.00 C ATOM 753 C SER A 56 -3.919 -10.117 2.170 1.00 0.00 C ATOM 754 O SER A 56 -3.855 -10.861 1.191 1.00 0.00 O ATOM 755 CB SER A 56 -1.917 -8.660 2.611 1.00 0.00 C ATOM 756 OG SER A 56 -1.137 -9.689 2.027 1.00 0.00 O ATOM 0 H SER A 56 -3.681 -7.333 3.676 1.00 0.00 H new ATOM 0 HA SER A 56 -3.400 -8.364 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.474 -7.692 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.903 -8.765 3.696 1.00 0.00 H new ATOM 0 HG SER A 56 -0.219 -9.637 2.367 1.00 0.00 H new ATOM 761 N HIS A 57 -4.495 -10.479 3.308 1.00 0.00 N ATOM 762 CA HIS A 57 -5.048 -11.816 3.492 1.00 0.00 C ATOM 763 C HIS A 57 -6.409 -11.967 2.819 1.00 0.00 C ATOM 764 O HIS A 57 -6.995 -13.047 2.824 1.00 0.00 O ATOM 765 CB HIS A 57 -5.160 -12.151 4.978 1.00 0.00 C ATOM 766 CG HIS A 57 -3.854 -12.533 5.607 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.249 -11.795 6.604 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.045 -13.600 5.393 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.130 -12.389 6.971 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.984 -13.484 6.253 1.00 0.00 N ATOM 0 H HIS A 57 -4.592 -9.867 4.118 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.362 -12.517 3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.570 -11.290 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.868 -12.970 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.207 -14.393 4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.449 -12.037 7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.206 -14.140 6.325 1.00 0.00 H new ATOM 778 N SER A 58 -6.915 -10.886 2.247 1.00 0.00 N ATOM 779 CA SER A 58 -8.206 -10.918 1.579 1.00 0.00 C ATOM 780 C SER A 58 -8.136 -10.221 0.223 1.00 0.00 C ATOM 781 O SER A 58 -9.145 -9.750 -0.299 1.00 0.00 O ATOM 782 CB SER A 58 -9.268 -10.262 2.469 1.00 0.00 C ATOM 783 OG SER A 58 -9.332 -10.904 3.736 1.00 0.00 O ATOM 0 H SER A 58 -6.452 -9.977 2.232 1.00 0.00 H new ATOM 0 HA SER A 58 -8.483 -11.958 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.035 -9.206 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.241 -10.314 1.980 1.00 0.00 H new ATOM 0 HG SER A 58 -10.014 -10.469 4.289 1.00 0.00 H new ATOM 788 N SER A 59 -6.943 -10.163 -0.355 1.00 0.00 N ATOM 789 CA SER A 59 -6.771 -9.513 -1.649 1.00 0.00 C ATOM 790 C SER A 59 -5.819 -10.295 -2.543 1.00 0.00 C ATOM 791 O SER A 59 -4.881 -10.935 -2.068 1.00 0.00 O ATOM 792 CB SER A 59 -6.243 -8.091 -1.470 1.00 0.00 C ATOM 793 OG SER A 59 -7.074 -7.341 -0.606 1.00 0.00 O ATOM 0 H SER A 59 -6.090 -10.553 0.045 1.00 0.00 H new ATOM 0 HA SER A 59 -7.750 -9.480 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.231 -8.124 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.184 -7.598 -2.440 1.00 0.00 H new ATOM 0 HG SER A 59 -6.676 -7.315 0.289 1.00 0.00 H new ATOM 798 N GLU A 60 -6.075 -10.232 -3.839 1.00 0.00 N ATOM 799 CA GLU A 60 -5.256 -10.912 -4.828 1.00 0.00 C ATOM 800 C GLU A 60 -4.729 -9.902 -5.835 1.00 0.00 C ATOM 801 O GLU A 60 -5.367 -8.877 -6.065 1.00 0.00 O ATOM 802 CB GLU A 60 -6.084 -11.975 -5.551 1.00 0.00 C ATOM 803 CG GLU A 60 -6.598 -13.071 -4.636 1.00 0.00 C ATOM 804 CD GLU A 60 -7.583 -13.987 -5.327 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.149 -14.896 -6.063 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.803 -13.810 -5.129 1.00 0.00 O ATOM 0 H GLU A 60 -6.856 -9.708 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.418 -11.395 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.931 -11.494 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.477 -12.424 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.756 -13.658 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.075 -12.620 -3.766 1.00 0.00 H new ATOM 811 N ASP A 61 -3.566 -10.191 -6.415 1.00 0.00 N ATOM 812 CA ASP A 61 -2.948 -9.315 -7.415 1.00 0.00 C ATOM 813 C ASP A 61 -2.799 -7.887 -6.885 1.00 0.00 C ATOM 814 O ASP A 61 -3.537 -6.980 -7.271 1.00 0.00 O ATOM 815 CB ASP A 61 -3.775 -9.333 -8.708 1.00 0.00 C ATOM 816 CG ASP A 61 -3.137 -8.546 -9.835 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.184 -9.060 -10.461 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.603 -7.425 -10.120 1.00 0.00 O ATOM 0 H ASP A 61 -3.027 -11.032 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.948 -9.690 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.915 -10.366 -9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.765 -8.926 -8.504 1.00 0.00 H new ATOM 822 N ILE A 62 -1.846 -7.696 -5.985 1.00 0.00 N ATOM 823 CA ILE A 62 -1.606 -6.386 -5.395 1.00 0.00 C ATOM 824 C ILE A 62 -0.445 -5.680 -6.091 1.00 0.00 C ATOM 825 O ILE A 62 0.697 -6.146 -6.047 1.00 0.00 O ATOM 826 CB ILE A 62 -1.318 -6.493 -3.881 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.476 -7.203 -3.171 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.087 -5.111 -3.286 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.280 -7.356 -1.677 1.00 0.00 C ATOM 0 H ILE A 62 -1.226 -8.431 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.514 -5.799 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.412 -7.082 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.396 -6.646 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.609 -8.190 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.885 -5.203 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.235 -4.641 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.975 -4.497 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.141 -7.867 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.379 -7.939 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.178 -6.371 -1.221 1.00 0.00 H new ATOM 840 N LYS A 63 -0.745 -4.559 -6.734 1.00 0.00 N ATOM 841 CA LYS A 63 0.264 -3.793 -7.448 1.00 0.00 C ATOM 842 C LYS A 63 -0.023 -2.299 -7.327 1.00 0.00 C ATOM 843 O LYS A 63 -1.174 -1.889 -7.206 1.00 0.00 O ATOM 844 CB LYS A 63 0.277 -4.199 -8.925 1.00 0.00 C ATOM 845 CG LYS A 63 1.673 -4.359 -9.503 1.00 0.00 C ATOM 846 CD LYS A 63 2.394 -5.530 -8.860 1.00 0.00 C ATOM 847 CE LYS A 63 3.788 -5.721 -9.433 1.00 0.00 C ATOM 848 NZ LYS A 63 4.494 -6.860 -8.791 1.00 0.00 N ATOM 0 H LYS A 63 -1.683 -4.160 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 63 1.239 -4.002 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.264 -5.139 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.262 -3.449 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.610 -4.513 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.244 -3.444 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.463 -5.368 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.813 -6.440 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.720 -5.894 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.367 -4.808 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.442 -6.960 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.581 -6.683 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.954 -7.735 -8.946 1.00 0.00 H new ATOM 858 N LEU A 64 1.024 -1.489 -7.352 1.00 0.00 N ATOM 859 CA LEU A 64 0.872 -0.042 -7.257 1.00 0.00 C ATOM 860 C LEU A 64 0.564 0.531 -8.633 1.00 0.00 C ATOM 861 O LEU A 64 1.254 0.229 -9.604 1.00 0.00 O ATOM 862 CB LEU A 64 2.145 0.583 -6.685 1.00 0.00 C ATOM 863 CG LEU A 64 2.399 0.279 -5.209 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.831 0.619 -4.829 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.429 1.050 -4.334 1.00 0.00 C ATOM 0 H LEU A 64 1.989 -1.807 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 64 0.045 0.191 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.998 0.233 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.093 1.664 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 64 2.243 -0.788 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.991 0.395 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.518 0.027 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.013 1.679 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.624 0.822 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.558 2.119 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.407 0.764 -4.584 1.00 0.00 H new ATOM 876 N GLU A 65 -0.468 1.366 -8.703 1.00 0.00 N ATOM 877 CA GLU A 65 -0.897 1.955 -9.963 1.00 0.00 C ATOM 878 C GLU A 65 -0.068 3.186 -10.308 1.00 0.00 C ATOM 879 O GLU A 65 0.586 3.234 -11.345 1.00 0.00 O ATOM 880 CB GLU A 65 -2.384 2.311 -9.874 1.00 0.00 C ATOM 881 CG GLU A 65 -2.939 2.989 -11.115 1.00 0.00 C ATOM 882 CD GLU A 65 -2.729 2.173 -12.376 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.255 1.042 -12.460 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.038 2.660 -13.296 1.00 0.00 O ATOM 0 H GLU A 65 -1.024 1.650 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.746 1.228 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.953 1.401 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.538 2.966 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.005 3.170 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.464 3.963 -11.235 1.00 0.00 H new ATOM 889 N GLU A 66 -0.072 4.166 -9.419 1.00 0.00 N ATOM 890 CA GLU A 66 0.665 5.403 -9.643 1.00 0.00 C ATOM 891 C GLU A 66 2.113 5.269 -9.198 1.00 0.00 C ATOM 892 O GLU A 66 2.774 6.256 -8.875 1.00 0.00 O ATOM 893 CB GLU A 66 -0.010 6.539 -8.890 1.00 0.00 C ATOM 894 CG GLU A 66 -1.481 6.667 -9.215 1.00 0.00 C ATOM 895 CD GLU A 66 -1.731 7.110 -10.643 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.752 6.251 -11.548 1.00 0.00 O ATOM 897 OE2 GLU A 66 -1.906 8.324 -10.872 1.00 0.00 O ATOM 0 H GLU A 66 -0.578 4.130 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 66 0.662 5.619 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.108 6.378 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.493 7.476 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.970 5.708 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.938 7.383 -8.532 1.00 0.00 H new ATOM 902 N GLY A 67 2.583 4.034 -9.155 1.00 0.00 N ATOM 903 CA GLY A 67 3.952 3.761 -8.761 1.00 0.00 C ATOM 904 C GLY A 67 4.168 3.864 -7.267 1.00 0.00 C ATOM 905 O GLY A 67 5.288 3.709 -6.788 1.00 0.00 O ATOM 0 H GLY A 67 2.036 3.205 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.228 2.761 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.617 4.460 -9.268 1.00 0.00 H new ATOM 909 N GLY A 68 3.092 4.113 -6.530 1.00 0.00 N ATOM 910 CA GLY A 68 3.195 4.237 -5.089 1.00 0.00 C ATOM 911 C GLY A 68 2.191 5.221 -4.532 1.00 0.00 C ATOM 912 O GLY A 68 1.824 5.157 -3.364 1.00 0.00 O ATOM 0 H GLY A 68 2.151 4.231 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.040 3.261 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.202 4.558 -4.824 1.00 0.00 H new ATOM 916 N ARG A 69 1.725 6.128 -5.384 1.00 0.00 N ATOM 917 CA ARG A 69 0.753 7.134 -4.977 1.00 0.00 C ATOM 918 C ARG A 69 -0.627 6.493 -4.810 1.00 0.00 C ATOM 919 O ARG A 69 -1.544 7.088 -4.241 1.00 0.00 O ATOM 920 CB ARG A 69 0.686 8.243 -6.034 1.00 0.00 C ATOM 921 CG ARG A 69 0.162 9.578 -5.527 1.00 0.00 C ATOM 922 CD ARG A 69 1.241 10.370 -4.805 1.00 0.00 C ATOM 923 NE ARG A 69 2.388 10.667 -5.671 1.00 0.00 N ATOM 924 CZ ARG A 69 3.102 11.793 -5.608 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.771 12.746 -4.744 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.149 11.968 -6.408 1.00 0.00 N ATOM 0 H ARG A 69 2.006 6.186 -6.363 1.00 0.00 H new ATOM 0 HA ARG A 69 1.061 7.562 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.684 8.393 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.050 7.907 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.218 10.162 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.677 9.407 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.817 11.303 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.581 9.807 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 69 2.656 9.969 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.969 12.618 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.319 13.605 -4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.410 11.240 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.692 12.830 -6.356 1.00 0.00 H new ATOM 937 N LYS A 70 -0.756 5.261 -5.298 1.00 0.00 N ATOM 938 CA LYS A 70 -2.015 4.533 -5.233 1.00 0.00 C ATOM 939 C LYS A 70 -1.769 3.035 -5.398 1.00 0.00 C ATOM 940 O LYS A 70 -0.916 2.627 -6.190 1.00 0.00 O ATOM 941 CB LYS A 70 -2.945 5.024 -6.340 1.00 0.00 C ATOM 942 CG LYS A 70 -4.387 4.568 -6.195 1.00 0.00 C ATOM 943 CD LYS A 70 -5.213 4.964 -7.407 1.00 0.00 C ATOM 944 CE LYS A 70 -6.695 4.692 -7.203 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.277 5.529 -6.119 1.00 0.00 N ATOM 0 H LYS A 70 0.003 4.746 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.476 4.709 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.921 6.114 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.562 4.678 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.418 3.486 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.821 5.007 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.065 6.024 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.861 4.415 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.229 4.883 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.840 3.639 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.314 5.517 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.989 5.149 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.934 6.506 -6.213 1.00 0.00 H new ATOM 955 N LEU A 71 -2.521 2.229 -4.663 1.00 0.00 N ATOM 956 CA LEU A 71 -2.392 0.780 -4.722 1.00 0.00 C ATOM 957 C LEU A 71 -3.648 0.175 -5.341 1.00 0.00 C ATOM 958 O LEU A 71 -4.757 0.620 -5.061 1.00 0.00 O ATOM 959 CB LEU A 71 -2.157 0.227 -3.309 1.00 0.00 C ATOM 960 CG LEU A 71 -1.947 -1.288 -3.192 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.049 -1.601 -2.006 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.275 -2.012 -3.034 1.00 0.00 C ATOM 0 H LEU A 71 -3.234 2.558 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.539 0.512 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.284 0.726 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.010 0.502 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.471 -1.635 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.906 -2.679 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.083 -1.116 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.513 -1.233 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.097 -3.084 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.777 -1.659 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.904 -1.813 -3.902 1.00 0.00 H new ATOM 973 N THR A 72 -3.464 -0.818 -6.192 1.00 0.00 N ATOM 974 CA THR A 72 -4.575 -1.490 -6.847 1.00 0.00 C ATOM 975 C THR A 72 -4.480 -3.001 -6.658 1.00 0.00 C ATOM 976 O THR A 72 -3.404 -3.588 -6.804 1.00 0.00 O ATOM 977 CB THR A 72 -4.620 -1.159 -8.351 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.287 -1.058 -8.873 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.369 0.137 -8.600 1.00 0.00 C ATOM 0 H THR A 72 -2.546 -1.181 -6.449 1.00 0.00 H new ATOM 0 HA THR A 72 -5.493 -1.129 -6.384 1.00 0.00 H new ATOM 0 HB THR A 72 -5.148 -1.965 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.697 -1.669 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.386 0.348 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.391 0.043 -8.232 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.869 0.952 -8.078 1.00 0.00 H new ATOM 987 N CYS A 73 -5.598 -3.623 -6.321 1.00 0.00 N ATOM 988 CA CYS A 73 -5.641 -5.059 -6.108 1.00 0.00 C ATOM 989 C CYS A 73 -7.065 -5.572 -6.262 1.00 0.00 C ATOM 990 O CYS A 73 -7.995 -4.801 -6.488 1.00 0.00 O ATOM 991 CB CYS A 73 -5.105 -5.404 -4.716 1.00 0.00 C ATOM 992 SG CYS A 73 -5.992 -4.605 -3.355 1.00 0.00 S ATOM 0 H CYS A 73 -6.493 -3.152 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.012 -5.541 -6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.152 -6.484 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.054 -5.121 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.463 -4.963 -2.223 1.00 0.00 H new ATOM 997 N ARG A 74 -7.235 -6.874 -6.178 1.00 0.00 N ATOM 998 CA ARG A 74 -8.553 -7.462 -6.288 1.00 0.00 C ATOM 999 C ARG A 74 -8.972 -8.029 -4.939 1.00 0.00 C ATOM 1000 O ARG A 74 -8.547 -9.119 -4.547 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.570 -8.517 -7.400 1.00 0.00 C ATOM 1002 CG ARG A 74 -9.943 -9.105 -7.716 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.324 -10.262 -6.799 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.638 -10.804 -7.146 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.990 -12.084 -7.015 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.153 -12.967 -6.484 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.195 -12.478 -7.404 1.00 0.00 N ATOM 0 H ARG A 74 -6.480 -7.544 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.281 -6.699 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.165 -8.071 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.900 -9.330 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.695 -8.321 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.955 -9.450 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.573 -11.049 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.330 -9.921 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.335 -10.157 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.229 -12.669 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.434 -13.943 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.849 -11.803 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.468 -13.456 -7.306 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.783 -7.260 -4.203 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.287 -7.653 -2.890 1.00 0.00 C ATOM 1020 C PRO A 75 -11.311 -8.760 -2.999 1.00 0.00 C ATOM 1021 O PRO A 75 -12.287 -8.632 -3.734 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.954 -6.381 -2.375 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.365 -5.658 -3.605 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.280 -5.932 -4.601 1.00 0.00 C ATOM 0 HA PRO A 75 -9.498 -8.033 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.812 -6.610 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.266 -5.786 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.330 -6.012 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.468 -4.589 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.662 -5.935 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.494 -5.178 -4.557 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.073 -9.849 -2.294 1.00 0.00 N ATOM 1030 CA LYS A 76 -11.981 -10.974 -2.306 1.00 0.00 C ATOM 1031 C LYS A 76 -12.496 -11.272 -0.906 1.00 0.00 C ATOM 1032 O LYS A 76 -11.744 -11.215 0.065 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.292 -12.195 -2.914 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.894 -12.466 -2.364 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.888 -13.554 -1.303 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.215 -14.916 -1.893 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.251 -15.322 -2.953 1.00 0.00 N ATOM 0 H LYS A 76 -10.252 -9.976 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.843 -10.722 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.914 -13.073 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.225 -12.060 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.235 -12.757 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.489 -11.547 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.909 -13.590 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.614 -13.310 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.213 -15.663 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.222 -14.896 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.294 -16.353 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.497 -14.848 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.288 -15.049 -2.670 1.00 0.00 H new ATOM 1047 N THR A 77 -13.785 -11.573 -0.797 1.00 0.00 N ATOM 1048 CA THR A 77 -14.359 -11.884 0.493 1.00 0.00 C ATOM 1049 C THR A 77 -13.879 -13.254 0.927 1.00 0.00 C ATOM 1050 O THR A 77 -13.898 -14.205 0.138 1.00 0.00 O ATOM 1051 CB THR A 77 -15.904 -11.850 0.492 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.390 -11.962 1.834 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.494 -12.971 -0.354 1.00 0.00 C ATOM 0 H THR A 77 -14.439 -11.606 -1.579 1.00 0.00 H new ATOM 0 HA THR A 77 -14.029 -11.115 1.192 1.00 0.00 H new ATOM 0 HB THR A 77 -16.214 -10.900 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.056 -11.210 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.582 -12.912 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.149 -12.870 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.174 -13.934 0.043 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.434 -13.338 2.169 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.921 -14.576 2.731 1.00 0.00 C ATOM 1063 C VAL A 78 -14.059 -15.540 3.049 1.00 0.00 C ATOM 1064 O VAL A 78 -13.835 -16.714 3.353 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.096 -14.286 3.999 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -12.985 -13.804 5.137 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.273 -15.499 4.414 1.00 0.00 C ATOM 0 H VAL A 78 -13.418 -12.550 2.816 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.273 -15.045 1.990 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.399 -13.482 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.374 -13.608 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.495 -12.888 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.724 -14.570 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.702 -15.262 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.939 -16.338 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.588 -15.767 3.609 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.285 -15.040 2.968 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.455 -15.860 3.239 1.00 0.00 C ATOM 1079 C ASP A 79 -16.609 -16.927 2.167 1.00 0.00 C ATOM 1080 O ASP A 79 -17.106 -18.020 2.432 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.722 -15.002 3.302 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.934 -15.797 3.752 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.632 -16.370 2.891 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.192 -15.854 4.973 1.00 0.00 O ATOM 0 H ASP A 79 -15.493 -14.073 2.718 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.314 -16.341 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.561 -14.170 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.916 -14.572 2.319 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.147 -16.612 0.963 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.261 -17.556 -0.138 1.00 0.00 C ATOM 1090 C GLY A 80 -15.106 -17.490 -1.119 1.00 0.00 C ATOM 1091 O GLY A 80 -14.838 -18.458 -1.826 1.00 0.00 O ATOM 0 H GLY A 80 -15.698 -15.727 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.326 -18.566 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.192 -17.366 -0.673 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.425 -16.356 -1.170 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.309 -16.204 -2.082 1.00 0.00 C ATOM 1097 C GLY A 81 -13.703 -15.493 -3.358 1.00 0.00 C ATOM 1098 O GLY A 81 -12.941 -15.461 -4.325 1.00 0.00 O ATOM 0 H GLY A 81 -14.625 -15.537 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.513 -15.646 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.906 -17.187 -2.326 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.890 -14.912 -3.346 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.426 -14.207 -4.510 1.00 0.00 C ATOM 1104 C PHE A 82 -15.502 -12.721 -4.220 1.00 0.00 C ATOM 1105 O PHE A 82 -15.519 -12.354 -3.047 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.815 -14.752 -4.872 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.756 -14.829 -3.702 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.540 -13.742 -3.347 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.844 -15.987 -2.949 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.393 -13.815 -2.261 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.691 -16.061 -1.862 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.464 -14.976 -1.518 1.00 0.00 C ATOM 0 H PHE A 82 -15.511 -14.912 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.761 -14.369 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.256 -14.117 -5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.704 -15.746 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.484 -12.830 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.242 -16.843 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.003 -12.964 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.747 -16.970 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.126 -15.033 -0.667 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.543 -11.883 -5.269 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.628 -10.423 -5.113 1.00 0.00 C ATOM 1123 C ARG A 83 -15.236 -9.692 -6.399 1.00 0.00 C ATOM 1124 O ARG A 83 -15.240 -10.274 -7.484 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.712 -9.960 -4.001 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.338 -8.980 -3.029 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.269 -9.670 -2.046 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.654 -9.693 -2.509 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.712 -9.765 -1.696 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.540 -9.805 -0.381 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.943 -9.777 -2.197 1.00 0.00 N ATOM 0 H ARG A 83 -15.518 -12.195 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.665 -10.187 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.369 -10.832 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.830 -9.497 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.552 -8.461 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.893 -8.223 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.927 -10.692 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.219 -9.160 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.824 -9.652 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.599 -9.781 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.349 -9.860 0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.083 -9.731 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.747 -9.832 -1.572 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.860 -8.419 -6.252 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.483 -7.575 -7.380 1.00 0.00 C ATOM 1144 C GLU A 84 -13.049 -7.082 -7.226 1.00 0.00 C ATOM 1145 O GLU A 84 -12.318 -7.533 -6.352 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.397 -6.346 -7.449 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.880 -6.640 -7.329 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.728 -5.438 -7.691 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.954 -4.575 -6.817 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.161 -5.339 -8.859 1.00 0.00 O ATOM 0 H GLU A 84 -14.810 -7.949 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.577 -8.172 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.114 -5.657 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.219 -5.833 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.138 -7.475 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.107 -6.950 -6.309 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.659 -6.160 -8.097 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.334 -5.551 -8.047 1.00 0.00 C ATOM 1157 C ARG A 85 -11.495 -4.102 -7.597 1.00 0.00 C ATOM 1158 O ARG A 85 -12.567 -3.523 -7.783 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.655 -5.601 -9.416 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.191 -5.198 -9.384 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.617 -5.036 -10.781 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.192 -4.716 -10.742 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.636 -3.681 -11.372 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.385 -2.848 -12.086 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.330 -3.469 -11.280 1.00 0.00 N ATOM 0 H ARG A 85 -13.248 -5.814 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.706 -6.102 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.736 -6.612 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.189 -4.943 -10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.084 -4.261 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.619 -5.951 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.769 -5.955 -11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.154 -4.246 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.582 -5.325 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.392 -2.998 -12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.954 -2.058 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.749 -4.098 -10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.907 -2.676 -11.763 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.453 -3.514 -7.015 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.551 -2.126 -6.541 1.00 0.00 C ATOM 1178 C GLN A 86 -9.186 -1.548 -6.150 1.00 0.00 C ATOM 1179 O GLN A 86 -8.227 -2.281 -5.933 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.510 -2.061 -5.344 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.845 -0.651 -4.890 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.820 -0.617 -3.732 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.712 -1.592 -3.673 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.776 0.283 -2.897 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.549 -3.960 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.934 -1.521 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.435 -2.576 -5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.068 -2.604 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.926 -0.141 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.266 -0.096 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.073 1.018 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.442 0.295 -2.125 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.111 -0.224 -6.067 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.879 0.435 -5.695 1.00 0.00 C ATOM 1193 C GLY A 87 -8.057 1.337 -4.486 1.00 0.00 C ATOM 1194 O GLY A 87 -9.171 1.773 -4.185 1.00 0.00 O ATOM 0 H GLY A 87 -9.891 0.407 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.118 -0.315 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.515 1.025 -6.536 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.965 1.609 -3.790 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.996 2.464 -2.614 1.00 0.00 C ATOM 1200 C ILE A 88 -5.894 3.514 -2.696 1.00 0.00 C ATOM 1201 O ILE A 88 -4.805 3.255 -3.220 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.856 1.650 -1.302 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.904 2.575 -0.083 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.569 0.834 -1.305 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.929 1.839 1.237 1.00 0.00 C ATOM 0 H ILE A 88 -6.040 1.247 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.968 2.958 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.697 0.959 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.037 3.235 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.789 3.208 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.493 0.271 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.579 0.142 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.714 1.504 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.963 2.559 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.811 1.199 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.032 1.227 1.329 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.197 4.702 -2.210 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.254 5.805 -2.219 1.00 0.00 C ATOM 1218 C ASP A 89 -4.306 5.701 -1.024 1.00 0.00 C ATOM 1219 O ASP A 89 -4.749 5.503 0.108 1.00 0.00 O ATOM 1220 CB ASP A 89 -6.022 7.121 -2.189 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.113 8.315 -2.273 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -4.663 8.787 -1.216 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -4.844 8.783 -3.398 1.00 0.00 O ATOM 0 H ASP A 89 -7.102 4.930 -1.798 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.653 5.765 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.728 7.146 -3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.607 7.177 -1.271 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.004 5.840 -1.272 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.009 5.713 -0.207 1.00 0.00 C ATOM 1229 C LEU A 90 -1.430 7.051 0.226 1.00 0.00 C ATOM 1230 O LEU A 90 -0.263 7.135 0.609 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.867 4.827 -0.665 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.272 3.469 -1.209 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.030 2.714 -1.604 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.092 2.690 -0.189 1.00 0.00 C ATOM 0 H LEU A 90 -2.615 6.039 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.528 5.276 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.307 5.356 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.189 4.675 0.175 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.905 3.604 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.308 1.736 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.507 3.273 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.611 2.586 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.368 1.722 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.501 2.540 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.995 3.250 0.056 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.237 8.086 0.197 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.773 9.412 0.598 1.00 0.00 C ATOM 1247 C ASN A 91 -1.634 9.520 2.112 1.00 0.00 C ATOM 1248 O ASN A 91 -1.318 10.580 2.646 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.683 10.506 0.052 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.222 10.991 -1.313 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.708 10.358 -2.371 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.423 11.927 -1.412 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.213 8.046 -0.097 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.783 9.555 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.703 10.128 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.703 11.344 0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.072 12.389 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.114 12.239 -2.333 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.872 8.410 2.793 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.751 8.354 4.240 1.00 0.00 C ATOM 1260 C ARG A 92 -0.356 7.892 4.641 1.00 0.00 C ATOM 1261 O ARG A 92 0.024 7.956 5.807 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.783 7.397 4.824 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.184 7.964 4.895 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.031 7.167 5.866 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.681 7.444 7.259 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.458 7.134 8.299 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.642 6.564 8.108 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.050 7.392 9.531 1.00 0.00 N ATOM 0 H ARG A 92 -2.152 7.529 2.362 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.925 9.356 4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.801 6.488 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.468 7.109 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.145 9.007 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.641 7.946 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.083 7.400 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.906 6.103 5.666 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.789 7.902 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.963 6.360 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.230 6.330 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.141 7.828 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.644 7.155 10.325 1.00 0.00 H new ATOM 1279 N ILE A 93 0.401 7.413 3.667 1.00 0.00 N ATOM 1280 CA ILE A 93 1.749 6.933 3.922 1.00 0.00 C ATOM 1281 C ILE A 93 2.748 8.012 3.535 1.00 0.00 C ATOM 1282 O ILE A 93 2.960 8.270 2.355 1.00 0.00 O ATOM 1283 CB ILE A 93 2.038 5.632 3.137 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.868 4.652 3.281 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.323 4.977 3.627 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.504 4.347 4.721 1.00 0.00 C ATOM 0 H ILE A 93 0.105 7.346 2.693 1.00 0.00 H new ATOM 0 HA ILE A 93 1.844 6.708 4.984 1.00 0.00 H new ATOM 0 HB ILE A 93 2.159 5.892 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.005 5.064 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.121 3.721 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.505 4.064 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.158 5.664 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.227 4.734 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.331 3.647 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.362 3.905 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.219 5.269 5.227 1.00 0.00 H new ATOM 1297 N GLN A 94 3.337 8.650 4.535 1.00 0.00 N ATOM 1298 CA GLN A 94 4.291 9.728 4.308 1.00 0.00 C ATOM 1299 C GLN A 94 5.675 9.367 4.849 1.00 0.00 C ATOM 1300 O GLN A 94 5.803 8.750 5.907 1.00 0.00 O ATOM 1301 CB GLN A 94 3.787 11.008 4.993 1.00 0.00 C ATOM 1302 CG GLN A 94 4.742 12.198 4.918 1.00 0.00 C ATOM 1303 CD GLN A 94 4.726 12.905 3.574 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.934 13.818 3.355 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.625 12.522 2.679 1.00 0.00 N ATOM 0 H GLN A 94 3.170 8.439 5.519 1.00 0.00 H new ATOM 0 HA GLN A 94 4.378 9.889 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.837 11.294 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.587 10.787 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.481 12.913 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.755 11.854 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.267 11.760 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.675 12.990 1.774 1.00 0.00 H new ATOM 1312 N ASN A 95 6.705 9.734 4.106 1.00 0.00 N ATOM 1313 CA ASN A 95 8.073 9.490 4.527 1.00 0.00 C ATOM 1314 C ASN A 95 8.628 10.730 5.230 1.00 0.00 C ATOM 1315 O ASN A 95 9.026 11.703 4.593 1.00 0.00 O ATOM 1316 CB ASN A 95 8.958 9.109 3.326 1.00 0.00 C ATOM 1317 CG ASN A 95 8.940 10.135 2.200 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.935 10.806 1.958 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.055 10.260 1.503 1.00 0.00 N ATOM 0 H ASN A 95 6.619 10.204 3.205 1.00 0.00 H new ATOM 0 HA ASN A 95 8.078 8.653 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.984 8.978 3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.628 8.147 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.104 10.929 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.867 9.687 1.733 1.00 0.00 H new ATOM 1325 N VAL A 96 8.655 10.687 6.549 1.00 0.00 N ATOM 1326 CA VAL A 96 9.150 11.802 7.335 1.00 0.00 C ATOM 1327 C VAL A 96 10.641 11.640 7.608 1.00 0.00 C ATOM 1328 O VAL A 96 11.074 10.694 8.264 1.00 0.00 O ATOM 1329 CB VAL A 96 8.351 11.969 8.653 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.298 10.674 9.456 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.921 13.104 9.490 1.00 0.00 C ATOM 0 H VAL A 96 8.339 9.889 7.100 1.00 0.00 H new ATOM 0 HA VAL A 96 9.005 12.714 6.755 1.00 0.00 H new ATOM 0 HB VAL A 96 7.326 12.222 8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.729 10.836 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.816 9.897 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.311 10.361 9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.345 13.203 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.961 12.889 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.866 14.035 8.926 1.00 0.00 H new ATOM 1341 N ASN A 97 11.422 12.555 7.042 1.00 0.00 N ATOM 1342 CA ASN A 97 12.875 12.559 7.183 1.00 0.00 C ATOM 1343 C ASN A 97 13.471 11.284 6.608 1.00 0.00 C ATOM 1344 O ASN A 97 14.513 10.818 7.056 1.00 0.00 O ATOM 1345 CB ASN A 97 13.293 12.710 8.648 1.00 0.00 C ATOM 1346 CG ASN A 97 14.143 13.940 8.874 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.359 13.915 8.675 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.514 15.019 9.312 1.00 0.00 N ATOM 0 H ASN A 97 11.063 13.319 6.469 1.00 0.00 H new ATOM 0 HA ASN A 97 13.256 13.416 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.403 12.765 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.847 11.825 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.038 15.874 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.506 14.995 9.463 1.00 0.00 H new ATOM 1354 N GLY A 98 12.805 10.729 5.609 1.00 0.00 N ATOM 1355 CA GLY A 98 13.273 9.502 4.997 1.00 0.00 C ATOM 1356 C GLY A 98 12.680 8.274 5.659 1.00 0.00 C ATOM 1357 O GLY A 98 12.793 7.165 5.142 1.00 0.00 O ATOM 0 H GLY A 98 11.946 11.107 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.014 9.504 3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.360 9.458 5.059 1.00 0.00 H new ATOM 1361 N ARG A 99 12.029 8.475 6.798 1.00 0.00 N ATOM 1362 CA ARG A 99 11.424 7.381 7.544 1.00 0.00 C ATOM 1363 C ARG A 99 9.974 7.195 7.126 1.00 0.00 C ATOM 1364 O ARG A 99 9.177 8.127 7.196 1.00 0.00 O ATOM 1365 CB ARG A 99 11.505 7.642 9.056 1.00 0.00 C ATOM 1366 CG ARG A 99 12.878 7.396 9.662 1.00 0.00 C ATOM 1367 CD ARG A 99 13.926 8.386 9.168 1.00 0.00 C ATOM 1368 NE ARG A 99 15.254 8.040 9.677 1.00 0.00 N ATOM 1369 CZ ARG A 99 16.379 8.696 9.387 1.00 0.00 C ATOM 1370 NH1 ARG A 99 16.365 9.751 8.589 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.527 8.283 9.900 1.00 0.00 N ATOM 0 H ARG A 99 11.907 9.392 7.227 1.00 0.00 H new ATOM 0 HA ARG A 99 11.978 6.469 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.215 8.675 9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.778 7.006 9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.808 7.459 10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.200 6.383 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.940 8.392 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.660 9.393 9.489 1.00 0.00 H new ATOM 0 HE ARG A 99 15.325 7.236 10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.485 10.074 8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.234 10.242 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.548 7.468 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.391 8.780 9.682 1.00 0.00 H new ATOM 1382 N LEU A 100 9.636 5.996 6.688 1.00 0.00 N ATOM 1383 CA LEU A 100 8.280 5.709 6.253 1.00 0.00 C ATOM 1384 C LEU A 100 7.381 5.488 7.460 1.00 0.00 C ATOM 1385 O LEU A 100 7.573 4.537 8.222 1.00 0.00 O ATOM 1386 CB LEU A 100 8.264 4.478 5.346 1.00 0.00 C ATOM 1387 CG LEU A 100 7.325 4.579 4.149 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.737 5.742 3.271 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.333 3.285 3.350 1.00 0.00 C ATOM 0 H LEU A 100 10.279 5.207 6.624 1.00 0.00 H new ATOM 0 HA LEU A 100 7.904 6.561 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.276 4.299 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.980 3.610 5.940 1.00 0.00 H new ATOM 0 HG LEU A 100 6.311 4.748 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.063 5.810 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.689 6.667 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.756 5.588 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.657 3.378 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.342 3.086 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.006 2.463 3.986 1.00 0.00 H new ATOM 1400 N VAL A 101 6.420 6.380 7.647 1.00 0.00 N ATOM 1401 CA VAL A 101 5.491 6.287 8.764 1.00 0.00 C ATOM 1402 C VAL A 101 4.059 6.470 8.274 1.00 0.00 C ATOM 1403 O VAL A 101 3.794 7.282 7.386 1.00 0.00 O ATOM 1404 CB VAL A 101 5.798 7.348 9.848 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.857 7.211 11.037 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.245 7.249 10.310 1.00 0.00 C ATOM 0 H VAL A 101 6.262 7.181 7.036 1.00 0.00 H new ATOM 0 HA VAL A 101 5.608 5.297 9.206 1.00 0.00 H new ATOM 0 HB VAL A 101 5.641 8.329 9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.098 7.970 11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.828 7.344 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.971 6.221 11.479 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.436 8.005 11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.427 6.259 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.910 7.412 9.462 1.00 0.00 H new ATOM 1416 N PHE A 102 3.146 5.700 8.840 1.00 0.00 N ATOM 1417 CA PHE A 102 1.743 5.784 8.475 1.00 0.00 C ATOM 1418 C PHE A 102 1.070 6.920 9.236 1.00 0.00 C ATOM 1419 O PHE A 102 1.259 7.068 10.447 1.00 0.00 O ATOM 1420 CB PHE A 102 1.037 4.452 8.755 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.441 4.583 8.981 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.313 4.833 7.929 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.957 4.463 10.260 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.663 4.961 8.157 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.308 4.589 10.491 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.161 4.838 9.439 1.00 0.00 C ATOM 0 H PHE A 102 3.353 5.006 9.558 1.00 0.00 H new ATOM 0 HA PHE A 102 1.670 5.991 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.208 3.778 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.489 3.990 9.632 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.928 4.928 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.291 4.268 11.087 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.334 5.158 7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.698 4.493 11.494 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.222 4.937 9.617 1.00 0.00 H new ATOM 1435 N GLN A 103 0.299 7.722 8.523 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.397 8.838 9.124 1.00 0.00 C ATOM 1437 C GLN A 103 -1.897 8.702 8.891 1.00 0.00 C ATOM 1438 O GLN A 103 -2.346 8.892 7.742 1.00 0.00 O ATOM 1439 CB GLN A 103 0.117 10.152 8.532 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.105 11.363 9.428 1.00 0.00 C ATOM 1441 CD GLN A 103 0.840 11.416 10.622 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.080 10.972 10.438 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.465 11.885 11.698 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.628 8.416 9.859 1.00 0.00 O ATOM 0 H GLN A 103 0.141 7.617 7.521 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.209 8.841 10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.183 10.054 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.376 10.325 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.018 12.270 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.134 11.355 9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.494 12.216 11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.114 11.942 12.483 1.00 0.00 H new TER 1451 GLN A 103