USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : no HE2:sc= 1.01 K(o=1.1,f=-3.7!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0511 K(o=1.1,f=-0.25) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.116 K(o=0.25,f=-2.6) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.136 K(o=0.25,f=-1.8) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0.702 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.792 K(o=1.5,f=-4.6!) USER MOD Set 4.1: A 52 CYS SG : rot 170:sc= -0.122 USER MOD Set 4.2: A 88 CYS SG : rot -131:sc= 0.028 USER MOD Set 5.1: A 39 THR OG1 : rot 66:sc= 1.02 USER MOD Set 5.2: A 83 HIS : no HE2:sc= 1.25 K(o=2.3,f=-8.5!) USER MOD Set 6.1: A 11 GLN : amide:sc= 1.23 K(o=2.2,f=-0.47) USER MOD Set 6.2: A 19 TYR OH : rot -77:sc= 0.969 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.257 (180deg=-0.257) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0331 (180deg=-0.196) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 175:sc= -0.0702 (180deg=-0.147) USER MOD Single : A 5 GLN : amide:sc= 0.0864 K(o=0.086,f=-2.1) USER MOD Single : A 6 ASN : amide:sc=-0.00793 K(o=-0.0079,f=-1.2!) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0.921 (180deg=0.921) USER MOD Single : A 9 ASN : amide:sc= -0.667 K(o=-0.67,f=-2.7!) USER MOD Single : A 10 TYR OH : rot -143:sc= 1.01 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 SER OG : rot 77:sc= 0.876 USER MOD Single : A 20 MET CE :methyl 166:sc=-0.00957 (180deg=-0.242) USER MOD Single : A 21 SER OG : rot -19:sc= 0.654 USER MOD Single : A 22 GLN : amide:sc= -0.145 K(o=-0.15,f=-6.3!) USER MOD Single : A 24 TYR OH : rot 165:sc= 0.775 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.2!) USER MOD Single : A 34 THR OG1 : rot 49:sc= 1.22 USER MOD Single : A 35 THR OG1 : rot -10:sc= 0.161 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 146:sc= 0.926 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.538 K(o=-0.54,f=-7.7!) USER MOD Single : A 55 SER OG : rot -44:sc= 0.543 USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.0555 USER MOD Single : A 58 SER OG : rot 161:sc= 0.888 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 62 CYS SG : rot -82:sc= -1.76 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.572 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 15:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= 0.808 (180deg=0.129) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.31) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00238 X(o=-0.0024,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.656 -2.413 0.010 1.00 0.00 N ATOM 2 CA MET A 1 0.848 -3.893 0.001 1.00 0.00 C ATOM 3 C MET A 1 -0.380 -4.622 -0.578 1.00 0.00 C ATOM 4 O MET A 1 -0.260 -5.717 -1.128 1.00 0.00 O ATOM 5 CB MET A 1 1.134 -4.400 1.414 1.00 0.00 C ATOM 6 CG MET A 1 2.432 -3.883 2.018 1.00 0.00 C ATOM 7 SD MET A 1 3.879 -4.316 1.031 1.00 0.00 S ATOM 8 CE MET A 1 3.946 -6.086 1.288 1.00 0.00 C ATOM 0 H1 MET A 1 1.556 -1.948 0.244 1.00 0.00 H new ATOM 0 H2 MET A 1 0.337 -2.099 -0.929 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.060 -2.160 0.721 1.00 0.00 H new ATOM 0 HA MET A 1 1.702 -4.109 -0.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.306 -4.115 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.164 -5.489 1.397 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.376 -2.799 2.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.548 -4.289 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.791 -6.502 0.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.065 -6.295 2.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.022 -6.541 0.930 1.00 0.00 H new ATOM 20 N SER A 2 -1.554 -4.003 -0.459 1.00 0.00 N ATOM 21 CA SER A 2 -2.825 -4.609 -0.902 1.00 0.00 C ATOM 22 C SER A 2 -2.853 -4.905 -2.413 1.00 0.00 C ATOM 23 O SER A 2 -3.629 -5.749 -2.872 1.00 0.00 O ATOM 24 CB SER A 2 -3.980 -3.702 -0.531 1.00 0.00 C ATOM 25 OG SER A 2 -3.946 -2.491 -1.235 1.00 0.00 O ATOM 0 H SER A 2 -1.659 -3.072 -0.056 1.00 0.00 H new ATOM 0 HA SER A 2 -2.919 -5.567 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.921 -4.213 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.952 -3.499 0.540 1.00 0.00 H new ATOM 0 HG SER A 2 -4.708 -1.936 -0.968 1.00 0.00 H new ATOM 31 N TRP A 3 -2.026 -4.203 -3.187 1.00 0.00 N ATOM 32 CA TRP A 3 -1.902 -4.476 -4.626 1.00 0.00 C ATOM 33 C TRP A 3 -1.560 -5.947 -4.918 1.00 0.00 C ATOM 34 O TRP A 3 -1.936 -6.480 -5.965 1.00 0.00 O ATOM 35 CB TRP A 3 -0.839 -3.566 -5.242 1.00 0.00 C ATOM 36 CG TRP A 3 0.552 -3.866 -4.770 1.00 0.00 C ATOM 37 CD1 TRP A 3 1.170 -3.348 -3.672 1.00 0.00 C ATOM 38 CD2 TRP A 3 1.496 -4.752 -5.382 1.00 0.00 C ATOM 39 NE1 TRP A 3 2.440 -3.854 -3.561 1.00 0.00 N ATOM 40 CE2 TRP A 3 2.664 -4.722 -4.600 1.00 0.00 C ATOM 41 CE3 TRP A 3 1.466 -5.571 -6.519 1.00 0.00 C ATOM 42 CZ2 TRP A 3 3.788 -5.471 -4.912 1.00 0.00 C ATOM 43 CZ3 TRP A 3 2.591 -6.323 -6.830 1.00 0.00 C ATOM 44 CH2 TRP A 3 3.719 -6.275 -6.050 1.00 0.00 C ATOM 0 H TRP A 3 -1.434 -3.445 -2.848 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.873 -4.272 -5.076 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.874 -3.662 -6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.079 -2.529 -5.006 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.724 -2.641 -2.988 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.109 -3.623 -2.826 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.585 -5.616 -7.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 4.678 -5.434 -4.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.578 -6.958 -7.703 1.00 0.00 H new ATOM 0 HH2 TRP A 3 4.575 -6.875 -6.324 1.00 0.00 H new ATOM 55 N MET A 4 -0.867 -6.609 -3.992 1.00 0.00 N ATOM 56 CA MET A 4 -0.413 -7.986 -4.225 1.00 0.00 C ATOM 57 C MET A 4 -1.626 -8.907 -4.444 1.00 0.00 C ATOM 58 O MET A 4 -1.688 -9.661 -5.422 1.00 0.00 O ATOM 59 CB MET A 4 0.429 -8.478 -3.049 1.00 0.00 C ATOM 60 CG MET A 4 1.784 -7.794 -2.916 1.00 0.00 C ATOM 61 SD MET A 4 2.638 -8.236 -1.390 1.00 0.00 S ATOM 62 CE MET A 4 3.030 -9.954 -1.707 1.00 0.00 C ATOM 0 H MET A 4 -0.609 -6.223 -3.084 1.00 0.00 H new ATOM 0 HA MET A 4 0.209 -8.005 -5.120 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.133 -8.327 -2.127 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.586 -9.551 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.408 -8.063 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.646 -6.713 -2.951 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.638 -10.345 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.108 -10.530 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.583 -10.034 -2.643 1.00 0.00 H new ATOM 72 N GLN A 5 -2.583 -8.849 -3.511 1.00 0.00 N ATOM 73 CA GLN A 5 -3.871 -9.538 -3.668 1.00 0.00 C ATOM 74 C GLN A 5 -4.631 -9.025 -4.899 1.00 0.00 C ATOM 75 O GLN A 5 -5.194 -9.808 -5.655 1.00 0.00 O ATOM 76 CB GLN A 5 -4.747 -9.338 -2.417 1.00 0.00 C ATOM 77 CG GLN A 5 -4.418 -10.279 -1.268 1.00 0.00 C ATOM 78 CD GLN A 5 -5.284 -10.047 -0.034 1.00 0.00 C ATOM 79 OE1 GLN A 5 -5.981 -9.044 0.073 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.265 -10.983 0.893 1.00 0.00 N ATOM 0 H GLN A 5 -2.490 -8.331 -2.637 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.658 -10.599 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.639 -8.310 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.793 -9.473 -2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.543 -11.309 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.369 -10.157 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.674 -11.806 0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.841 -10.885 1.729 1.00 0.00 H new ATOM 89 N ASN A 6 -4.615 -7.703 -5.089 1.00 0.00 N ATOM 90 CA ASN A 6 -5.375 -7.038 -6.162 1.00 0.00 C ATOM 91 C ASN A 6 -4.968 -7.533 -7.561 1.00 0.00 C ATOM 92 O ASN A 6 -5.686 -7.319 -8.538 1.00 0.00 O ATOM 93 CB ASN A 6 -5.225 -5.530 -6.085 1.00 0.00 C ATOM 94 CG ASN A 6 -5.976 -4.905 -4.942 1.00 0.00 C ATOM 95 OD1 ASN A 6 -6.908 -5.498 -4.387 1.00 0.00 O ATOM 96 ND2 ASN A 6 -5.629 -3.680 -4.641 1.00 0.00 N ATOM 0 H ASN A 6 -4.077 -7.061 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.421 -7.301 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.167 -5.283 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.573 -5.091 -7.020 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.136 -3.169 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.852 -3.236 -5.129 1.00 0.00 H new ATOM 103 N LEU A 7 -3.816 -8.189 -7.653 1.00 0.00 N ATOM 104 CA LEU A 7 -3.415 -8.867 -8.891 1.00 0.00 C ATOM 105 C LEU A 7 -3.659 -10.384 -8.796 1.00 0.00 C ATOM 106 O LEU A 7 -4.444 -10.949 -9.558 1.00 0.00 O ATOM 107 CB LEU A 7 -1.939 -8.581 -9.196 1.00 0.00 C ATOM 108 CG LEU A 7 -1.602 -7.108 -9.461 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.100 -6.942 -9.643 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.352 -6.629 -10.696 1.00 0.00 C ATOM 0 H LEU A 7 -3.143 -8.268 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.026 -8.479 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.337 -8.930 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.644 -9.167 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.911 -6.504 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.130 -5.893 -9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.414 -7.270 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.233 -7.543 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.112 -5.582 -10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.057 -7.229 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.425 -6.732 -10.533 1.00 0.00 H new ATOM 122 N LYS A 8 -2.996 -11.024 -7.832 1.00 0.00 N ATOM 123 CA LYS A 8 -2.905 -12.490 -7.754 1.00 0.00 C ATOM 124 C LYS A 8 -4.250 -13.179 -7.377 1.00 0.00 C ATOM 125 O LYS A 8 -4.358 -14.403 -7.449 1.00 0.00 O ATOM 126 CB LYS A 8 -1.822 -12.881 -6.745 1.00 0.00 C ATOM 127 CG LYS A 8 -2.232 -12.719 -5.287 1.00 0.00 C ATOM 128 CD LYS A 8 -1.066 -12.997 -4.351 1.00 0.00 C ATOM 129 CE LYS A 8 -1.393 -12.588 -2.922 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.447 -13.453 -2.323 1.00 0.00 N ATOM 0 H LYS A 8 -2.504 -10.543 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.648 -12.842 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.540 -13.920 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.935 -12.275 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.601 -11.707 -5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.053 -13.399 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.819 -14.058 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.185 -12.455 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.490 -12.642 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.725 -11.550 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.652 -13.131 -1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.312 -13.395 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.114 -14.438 -2.296 1.00 0.00 H new ATOM 144 N ASN A 9 -5.267 -12.405 -6.970 1.00 0.00 N ATOM 145 CA ASN A 9 -6.573 -12.982 -6.593 1.00 0.00 C ATOM 146 C ASN A 9 -7.275 -13.626 -7.797 1.00 0.00 C ATOM 147 O ASN A 9 -8.225 -14.391 -7.636 1.00 0.00 O ATOM 148 CB ASN A 9 -7.476 -11.940 -5.960 1.00 0.00 C ATOM 149 CG ASN A 9 -7.143 -11.641 -4.525 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.399 -12.381 -3.872 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.753 -10.605 -4.007 1.00 0.00 N ATOM 0 H ASN A 9 -5.216 -11.389 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.374 -13.761 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.412 -11.018 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.509 -12.283 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.624 -10.378 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.357 -10.025 -4.589 1.00 0.00 H new ATOM 158 N TYR A 10 -6.809 -13.297 -8.999 1.00 0.00 N ATOM 159 CA TYR A 10 -7.461 -13.745 -10.234 1.00 0.00 C ATOM 160 C TYR A 10 -6.450 -13.966 -11.366 1.00 0.00 C ATOM 161 O TYR A 10 -5.376 -13.362 -11.387 1.00 0.00 O ATOM 162 CB TYR A 10 -8.521 -12.731 -10.672 1.00 0.00 C ATOM 163 CG TYR A 10 -7.999 -11.317 -10.801 1.00 0.00 C ATOM 164 CD1 TYR A 10 -7.405 -10.882 -11.977 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.106 -10.421 -9.749 1.00 0.00 C ATOM 166 CE1 TYR A 10 -6.927 -9.592 -12.100 1.00 0.00 C ATOM 167 CE2 TYR A 10 -7.632 -9.127 -9.861 1.00 0.00 C ATOM 168 CZ TYR A 10 -7.043 -8.717 -11.039 1.00 0.00 C ATOM 169 OH TYR A 10 -6.570 -7.430 -11.158 1.00 0.00 O ATOM 0 H TYR A 10 -5.981 -12.721 -9.148 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.939 -14.702 -10.023 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.935 -13.044 -11.630 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.339 -12.742 -9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.315 -11.563 -12.810 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.568 -10.739 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.465 -9.270 -13.021 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.722 -8.442 -9.031 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.183 -7.143 -10.304 1.00 0.00 H new ATOM 179 N GLN A 11 -6.812 -14.827 -12.311 1.00 0.00 N ATOM 180 CA GLN A 11 -6.038 -14.995 -13.541 1.00 0.00 C ATOM 181 C GLN A 11 -6.807 -14.435 -14.750 1.00 0.00 C ATOM 182 O GLN A 11 -7.589 -15.146 -15.388 1.00 0.00 O ATOM 183 CB GLN A 11 -5.710 -16.473 -13.768 1.00 0.00 C ATOM 184 CG GLN A 11 -4.940 -16.749 -15.049 1.00 0.00 C ATOM 185 CD GLN A 11 -3.674 -15.921 -15.153 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.860 -15.885 -14.226 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.500 -15.246 -16.284 1.00 0.00 N ATOM 0 H GLN A 11 -7.638 -15.422 -12.251 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.107 -14.439 -13.434 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.129 -16.839 -12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.640 -17.042 -13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.683 -17.807 -15.094 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.580 -16.539 -15.906 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.198 -15.304 -17.025 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.668 -14.670 -16.411 1.00 0.00 H new ATOM 196 N HIS A 12 -6.608 -13.153 -15.053 1.00 0.00 N ATOM 197 CA HIS A 12 -7.255 -12.536 -16.222 1.00 0.00 C ATOM 198 C HIS A 12 -6.259 -12.195 -17.345 1.00 0.00 C ATOM 199 O HIS A 12 -6.596 -12.303 -18.522 1.00 0.00 O ATOM 200 CB HIS A 12 -8.008 -11.270 -15.801 1.00 0.00 C ATOM 201 CG HIS A 12 -9.193 -11.538 -14.926 1.00 0.00 C ATOM 202 ND1 HIS A 12 -9.842 -10.542 -14.227 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.846 -12.688 -14.635 1.00 0.00 C ATOM 204 CE1 HIS A 12 -10.844 -11.070 -13.544 1.00 0.00 C ATOM 205 NE2 HIS A 12 -10.867 -12.369 -13.775 1.00 0.00 N ATOM 0 H HIS A 12 -6.012 -12.523 -14.516 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.953 -13.273 -16.620 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.321 -10.607 -15.274 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.339 -10.741 -16.694 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.608 -13.673 -15.010 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.527 -10.530 -12.906 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.536 -13.029 -13.378 1.00 0.00 H new ATOM 210 N LEU A 13 -5.040 -11.795 -16.998 1.00 0.00 N ATOM 211 CA LEU A 13 -4.061 -11.397 -18.016 1.00 0.00 C ATOM 212 C LEU A 13 -2.762 -12.218 -17.897 1.00 0.00 C ATOM 213 O LEU A 13 -2.493 -12.812 -16.855 1.00 0.00 O ATOM 214 CB LEU A 13 -3.759 -9.898 -17.899 1.00 0.00 C ATOM 215 CG LEU A 13 -4.968 -8.972 -18.083 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.572 -7.531 -17.791 1.00 0.00 C ATOM 217 CD2 LEU A 13 -5.502 -9.108 -19.501 1.00 0.00 C ATOM 0 H LEU A 13 -4.705 -11.736 -16.036 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.492 -11.598 -18.997 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.321 -9.707 -16.919 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.005 -9.637 -18.641 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.754 -9.258 -17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.437 -6.882 -17.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.215 -7.453 -16.764 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.780 -7.226 -18.475 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.361 -8.450 -19.631 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.723 -8.832 -20.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.805 -10.140 -19.678 1.00 0.00 H new ATOM 229 N ARG A 14 -1.974 -12.272 -18.972 1.00 0.00 N ATOM 230 CA ARG A 14 -0.658 -12.926 -18.938 1.00 0.00 C ATOM 231 C ARG A 14 0.426 -12.056 -18.276 1.00 0.00 C ATOM 232 O ARG A 14 1.603 -12.420 -18.302 1.00 0.00 O ATOM 233 CB ARG A 14 -0.222 -13.380 -20.324 1.00 0.00 C ATOM 234 CG ARG A 14 -1.061 -14.498 -20.922 1.00 0.00 C ATOM 235 CD ARG A 14 -0.646 -14.911 -22.288 1.00 0.00 C ATOM 236 NE ARG A 14 -1.498 -15.919 -22.898 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.308 -16.440 -24.126 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.323 -16.026 -24.892 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.154 -17.362 -24.551 1.00 0.00 N ATOM 0 H ARG A 14 -2.221 -11.872 -19.877 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.776 -13.811 -18.312 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.251 -12.523 -20.997 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.815 -13.711 -20.273 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.013 -15.365 -20.263 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.103 -14.178 -20.953 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.629 -14.031 -22.931 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.374 -15.294 -22.244 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.296 -16.255 -22.358 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.311 -15.300 -24.559 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.193 -16.431 -25.819 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.925 -17.661 -23.954 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.036 -17.775 -25.476 1.00 0.00 H new ATOM 253 N ASP A 15 0.046 -10.932 -17.668 1.00 0.00 N ATOM 254 CA ASP A 15 1.028 -10.073 -16.982 1.00 0.00 C ATOM 255 C ASP A 15 1.731 -10.794 -15.817 1.00 0.00 C ATOM 256 O ASP A 15 1.092 -11.185 -14.845 1.00 0.00 O ATOM 257 CB ASP A 15 0.348 -8.802 -16.468 1.00 0.00 C ATOM 258 CG ASP A 15 1.302 -7.775 -15.871 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.446 -8.105 -15.667 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.925 -6.632 -15.772 1.00 0.00 O ATOM 0 H ASP A 15 -0.916 -10.594 -17.633 1.00 0.00 H new ATOM 0 HA ASP A 15 1.793 -9.815 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.197 -8.338 -17.290 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.388 -9.078 -15.713 1.00 0.00 H new ATOM 265 N PRO A 16 3.079 -10.927 -15.874 1.00 0.00 N ATOM 266 CA PRO A 16 3.859 -11.587 -14.808 1.00 0.00 C ATOM 267 C PRO A 16 3.612 -10.967 -13.424 1.00 0.00 C ATOM 268 O PRO A 16 3.815 -11.614 -12.394 1.00 0.00 O ATOM 269 CB PRO A 16 5.313 -11.411 -15.256 1.00 0.00 C ATOM 270 CG PRO A 16 5.234 -11.313 -16.742 1.00 0.00 C ATOM 271 CD PRO A 16 3.963 -10.557 -17.024 1.00 0.00 C ATOM 0 HA PRO A 16 3.577 -12.633 -14.685 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.757 -10.515 -14.822 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.929 -12.255 -14.946 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.100 -10.791 -17.148 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.214 -12.302 -17.201 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.136 -9.482 -17.068 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.525 -10.849 -17.978 1.00 0.00 H new ATOM 279 N SER A 17 3.169 -9.707 -13.408 1.00 0.00 N ATOM 280 CA SER A 17 2.971 -8.956 -12.160 1.00 0.00 C ATOM 281 C SER A 17 2.092 -9.726 -11.159 1.00 0.00 C ATOM 282 O SER A 17 2.314 -9.658 -9.952 1.00 0.00 O ATOM 283 CB SER A 17 2.358 -7.603 -12.463 1.00 0.00 C ATOM 284 OG SER A 17 3.186 -6.821 -13.279 1.00 0.00 O ATOM 0 H SER A 17 2.939 -9.180 -14.250 1.00 0.00 H new ATOM 0 HA SER A 17 3.948 -8.818 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.395 -7.743 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.166 -7.075 -11.529 1.00 0.00 H new ATOM 0 HG SER A 17 3.127 -7.138 -14.204 1.00 0.00 H new ATOM 290 N GLU A 18 1.101 -10.461 -11.665 1.00 0.00 N ATOM 291 CA GLU A 18 0.223 -11.268 -10.808 1.00 0.00 C ATOM 292 C GLU A 18 1.047 -12.317 -10.026 1.00 0.00 C ATOM 293 O GLU A 18 0.768 -12.612 -8.856 1.00 0.00 O ATOM 294 CB GLU A 18 -0.859 -11.954 -11.646 1.00 0.00 C ATOM 295 CG GLU A 18 -1.896 -11.006 -12.231 1.00 0.00 C ATOM 296 CD GLU A 18 -2.835 -11.728 -13.157 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.641 -12.899 -13.375 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.812 -11.139 -13.559 1.00 0.00 O ATOM 0 H GLU A 18 0.884 -10.516 -12.660 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.263 -10.606 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.380 -12.497 -12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.368 -12.692 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.463 -10.541 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.394 -10.203 -12.772 1.00 0.00 H new ATOM 305 N TYR A 19 2.097 -12.839 -10.660 1.00 0.00 N ATOM 306 CA TYR A 19 2.963 -13.847 -10.037 1.00 0.00 C ATOM 307 C TYR A 19 4.123 -13.188 -9.279 1.00 0.00 C ATOM 308 O TYR A 19 4.621 -13.722 -8.290 1.00 0.00 O ATOM 309 CB TYR A 19 3.532 -14.792 -11.097 1.00 0.00 C ATOM 310 CG TYR A 19 2.489 -15.391 -12.021 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.061 -14.707 -13.152 1.00 0.00 C ATOM 312 CD2 TYR A 19 1.950 -16.649 -11.778 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.131 -15.257 -14.011 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.022 -17.207 -12.637 1.00 0.00 C ATOM 315 CZ TYR A 19 0.616 -16.506 -13.751 1.00 0.00 C ATOM 316 OH TYR A 19 -0.304 -17.059 -14.614 1.00 0.00 O ATOM 0 H TYR A 19 2.371 -12.581 -11.608 1.00 0.00 H new ATOM 0 HA TYR A 19 2.354 -14.412 -9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.263 -14.249 -11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.066 -15.601 -10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.463 -13.727 -13.363 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.262 -17.200 -10.903 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.809 -14.709 -14.884 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.617 -18.188 -12.436 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.180 -16.645 -14.468 1.00 0.00 H new ATOM 326 N MET A 20 4.557 -12.025 -9.751 1.00 0.00 N ATOM 327 CA MET A 20 5.519 -11.204 -9.010 1.00 0.00 C ATOM 328 C MET A 20 4.977 -10.896 -7.602 1.00 0.00 C ATOM 329 O MET A 20 5.727 -10.822 -6.631 1.00 0.00 O ATOM 330 CB MET A 20 5.811 -9.911 -9.768 1.00 0.00 C ATOM 331 CG MET A 20 6.901 -9.049 -9.147 1.00 0.00 C ATOM 332 SD MET A 20 7.262 -7.575 -10.122 1.00 0.00 S ATOM 333 CE MET A 20 5.768 -6.624 -9.863 1.00 0.00 C ATOM 0 H MET A 20 4.261 -11.626 -10.642 1.00 0.00 H new ATOM 0 HA MET A 20 6.452 -11.759 -8.910 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.100 -10.160 -10.789 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.894 -9.326 -9.830 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.595 -8.751 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.810 -9.641 -9.040 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.930 -5.596 -10.187 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.953 -7.062 -10.440 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.509 -6.634 -8.804 1.00 0.00 H new ATOM 343 N SER A 21 3.660 -10.711 -7.516 1.00 0.00 N ATOM 344 CA SER A 21 2.981 -10.474 -6.235 1.00 0.00 C ATOM 345 C SER A 21 2.807 -11.787 -5.459 1.00 0.00 C ATOM 346 O SER A 21 2.782 -11.789 -4.231 1.00 0.00 O ATOM 347 CB SER A 21 1.637 -9.812 -6.469 1.00 0.00 C ATOM 348 OG SER A 21 0.761 -10.639 -7.186 1.00 0.00 O ATOM 0 H SER A 21 3.035 -10.720 -8.322 1.00 0.00 H new ATOM 0 HA SER A 21 3.600 -9.806 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.188 -9.554 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.782 -8.879 -7.014 1.00 0.00 H new ATOM 0 HG SER A 21 1.272 -11.339 -7.643 1.00 0.00 H new ATOM 354 N GLN A 22 2.662 -12.899 -6.192 1.00 0.00 N ATOM 355 CA GLN A 22 2.605 -14.238 -5.576 1.00 0.00 C ATOM 356 C GLN A 22 3.855 -14.509 -4.717 1.00 0.00 C ATOM 357 O GLN A 22 3.762 -14.761 -3.513 1.00 0.00 O ATOM 358 CB GLN A 22 2.474 -15.319 -6.652 1.00 0.00 C ATOM 359 CG GLN A 22 2.438 -16.737 -6.110 1.00 0.00 C ATOM 360 CD GLN A 22 2.438 -17.780 -7.213 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.305 -17.452 -8.395 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.583 -19.043 -6.831 1.00 0.00 N ATOM 0 H GLN A 22 2.582 -12.902 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 22 1.728 -14.268 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.564 -15.138 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.310 -15.228 -7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.300 -16.897 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.548 -16.865 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.690 -19.268 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.588 -19.789 -7.527 1.00 0.00 H new ATOM 371 N VAL A 23 5.025 -14.463 -5.348 1.00 0.00 N ATOM 372 CA VAL A 23 6.290 -14.701 -4.650 1.00 0.00 C ATOM 373 C VAL A 23 7.089 -13.397 -4.473 1.00 0.00 C ATOM 374 O VAL A 23 7.566 -12.798 -5.435 1.00 0.00 O ATOM 375 CB VAL A 23 7.158 -15.729 -5.397 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.481 -15.936 -4.675 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.418 -17.050 -5.539 1.00 0.00 C ATOM 0 H VAL A 23 5.126 -14.263 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 23 6.036 -15.097 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 23 7.366 -15.342 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.081 -16.666 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.019 -14.990 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.291 -16.301 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.047 -17.764 -6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.179 -17.441 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.496 -16.892 -6.099 1.00 0.00 H new ATOM 387 N TYR A 24 7.233 -12.973 -3.221 1.00 0.00 N ATOM 388 CA TYR A 24 7.976 -11.751 -2.883 1.00 0.00 C ATOM 389 C TYR A 24 9.462 -11.856 -3.281 1.00 0.00 C ATOM 390 O TYR A 24 10.064 -10.876 -3.726 1.00 0.00 O ATOM 391 CB TYR A 24 7.854 -11.453 -1.388 1.00 0.00 C ATOM 392 CG TYR A 24 8.576 -10.198 -0.950 1.00 0.00 C ATOM 393 CD1 TYR A 24 8.053 -8.943 -1.224 1.00 0.00 C ATOM 394 CD2 TYR A 24 9.778 -10.274 -0.263 1.00 0.00 C ATOM 395 CE1 TYR A 24 8.709 -7.794 -0.827 1.00 0.00 C ATOM 396 CE2 TYR A 24 10.443 -9.131 0.139 1.00 0.00 C ATOM 397 CZ TYR A 24 9.906 -7.892 -0.145 1.00 0.00 C ATOM 398 OH TYR A 24 10.562 -6.752 0.254 1.00 0.00 O ATOM 0 H TYR A 24 6.843 -13.459 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 24 7.536 -10.932 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.799 -11.361 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.246 -12.300 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.117 -8.863 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.201 -11.242 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.288 -6.824 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.379 -9.207 0.673 1.00 0.00 H new ATOM 0 HH TYR A 24 11.250 -6.984 0.913 1.00 0.00 H new ATOM 408 N GLY A 25 10.048 -13.044 -3.132 1.00 0.00 N ATOM 409 CA GLY A 25 11.493 -13.200 -3.286 1.00 0.00 C ATOM 410 C GLY A 25 11.950 -13.645 -4.676 1.00 0.00 C ATOM 411 O GLY A 25 11.507 -13.108 -5.692 1.00 0.00 O ATOM 0 H GLY A 25 9.549 -13.905 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.973 -12.251 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.845 -13.927 -2.554 1.00 0.00 H new ATOM 415 N ASP A 26 12.851 -14.631 -4.705 1.00 0.00 N ATOM 416 CA ASP A 26 13.565 -15.027 -5.926 1.00 0.00 C ATOM 417 C ASP A 26 12.671 -15.004 -7.185 1.00 0.00 C ATOM 418 O ASP A 26 11.618 -15.645 -7.228 1.00 0.00 O ATOM 419 CB ASP A 26 14.169 -16.422 -5.744 1.00 0.00 C ATOM 420 CG ASP A 26 15.359 -16.474 -4.795 1.00 0.00 C ATOM 421 OD1 ASP A 26 15.877 -15.433 -4.467 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.640 -17.532 -4.285 1.00 0.00 O ATOM 0 H ASP A 26 13.107 -15.178 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 26 14.353 -14.291 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.395 -17.094 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.480 -16.800 -6.718 1.00 0.00 H new ATOM 427 N PRO A 27 13.101 -14.260 -8.232 1.00 0.00 N ATOM 428 CA PRO A 27 12.367 -14.143 -9.510 1.00 0.00 C ATOM 429 C PRO A 27 12.056 -15.490 -10.183 1.00 0.00 C ATOM 430 O PRO A 27 10.976 -15.670 -10.747 1.00 0.00 O ATOM 431 CB PRO A 27 13.296 -13.286 -10.378 1.00 0.00 C ATOM 432 CG PRO A 27 14.075 -12.476 -9.399 1.00 0.00 C ATOM 433 CD PRO A 27 14.315 -13.389 -8.226 1.00 0.00 C ATOM 0 HA PRO A 27 11.379 -13.708 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.950 -13.906 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.730 -12.650 -11.058 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.016 -12.136 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.523 -11.586 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.230 -13.969 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.410 -12.833 -7.293 1.00 0.00 H new ATOM 441 N LEU A 28 13.005 -16.426 -10.112 1.00 0.00 N ATOM 442 CA LEU A 28 12.889 -17.731 -10.789 1.00 0.00 C ATOM 443 C LEU A 28 11.594 -18.462 -10.389 1.00 0.00 C ATOM 444 O LEU A 28 10.919 -19.050 -11.236 1.00 0.00 O ATOM 445 CB LEU A 28 14.111 -18.601 -10.470 1.00 0.00 C ATOM 446 CG LEU A 28 14.063 -20.025 -11.038 1.00 0.00 C ATOM 447 CD1 LEU A 28 13.992 -19.979 -12.558 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.291 -20.798 -10.579 1.00 0.00 C ATOM 0 H LEU A 28 13.872 -16.308 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 28 12.849 -17.549 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.002 -18.103 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.221 -18.662 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 28 13.171 -20.533 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.958 -20.995 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.095 -19.441 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.872 -19.468 -12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.256 -21.810 -10.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.191 -20.296 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.307 -20.843 -9.490 1.00 0.00 H new ATOM 460 N ALA A 29 11.247 -18.395 -9.107 1.00 0.00 N ATOM 461 CA ALA A 29 10.070 -19.089 -8.578 1.00 0.00 C ATOM 462 C ALA A 29 8.780 -18.718 -9.340 1.00 0.00 C ATOM 463 O ALA A 29 8.197 -19.554 -10.034 1.00 0.00 O ATOM 464 CB ALA A 29 9.917 -18.791 -7.091 1.00 0.00 C ATOM 0 H ALA A 29 11.767 -17.864 -8.408 1.00 0.00 H new ATOM 0 HA ALA A 29 10.226 -20.158 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.040 -19.310 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.805 -19.132 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.797 -17.717 -6.946 1.00 0.00 H new ATOM 470 N TYR A 30 8.356 -17.457 -9.237 1.00 0.00 N ATOM 471 CA TYR A 30 7.110 -17.014 -9.878 1.00 0.00 C ATOM 472 C TYR A 30 7.266 -16.853 -11.401 1.00 0.00 C ATOM 473 O TYR A 30 6.275 -16.795 -12.125 1.00 0.00 O ATOM 474 CB TYR A 30 6.639 -15.696 -9.260 1.00 0.00 C ATOM 475 CG TYR A 30 7.443 -14.492 -9.697 1.00 0.00 C ATOM 476 CD1 TYR A 30 7.283 -13.949 -10.963 1.00 0.00 C ATOM 477 CD2 TYR A 30 8.361 -13.901 -8.841 1.00 0.00 C ATOM 478 CE1 TYR A 30 8.016 -12.849 -11.368 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.099 -12.803 -9.234 1.00 0.00 C ATOM 480 CZ TYR A 30 8.924 -12.278 -10.498 1.00 0.00 C ATOM 481 OH TYR A 30 9.657 -11.183 -10.895 1.00 0.00 O ATOM 0 H TYR A 30 8.850 -16.728 -8.722 1.00 0.00 H new ATOM 0 HA TYR A 30 6.363 -17.788 -9.704 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.593 -15.537 -9.522 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.687 -15.778 -8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.573 -14.393 -11.645 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.501 -14.307 -7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.880 -12.439 -12.358 1.00 0.00 H new ATOM 0 HE2 TYR A 30 9.810 -12.357 -8.555 1.00 0.00 H new ATOM 0 HH TYR A 30 10.248 -10.903 -10.165 1.00 0.00 H new ATOM 491 N LEU A 31 8.507 -16.778 -11.882 1.00 0.00 N ATOM 492 CA LEU A 31 8.776 -16.799 -13.328 1.00 0.00 C ATOM 493 C LEU A 31 8.350 -18.139 -13.951 1.00 0.00 C ATOM 494 O LEU A 31 7.677 -18.176 -14.988 1.00 0.00 O ATOM 495 CB LEU A 31 10.262 -16.534 -13.594 1.00 0.00 C ATOM 496 CG LEU A 31 10.679 -16.571 -15.070 1.00 0.00 C ATOM 497 CD1 LEU A 31 9.932 -15.498 -15.850 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.182 -16.371 -15.180 1.00 0.00 C ATOM 0 H LEU A 31 9.341 -16.702 -11.299 1.00 0.00 H new ATOM 0 HA LEU A 31 8.188 -16.009 -13.795 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.519 -15.557 -13.185 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.849 -17.273 -13.049 1.00 0.00 H new ATOM 0 HG LEU A 31 10.424 -17.542 -15.496 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.235 -15.532 -16.897 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.859 -15.675 -15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.167 -14.517 -15.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.477 -16.398 -16.229 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.453 -15.406 -14.751 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.695 -17.166 -14.639 1.00 0.00 H new ATOM 510 N GLN A 32 8.729 -19.242 -13.304 1.00 0.00 N ATOM 511 CA GLN A 32 8.306 -20.571 -13.747 1.00 0.00 C ATOM 512 C GLN A 32 6.798 -20.764 -13.556 1.00 0.00 C ATOM 513 O GLN A 32 6.147 -21.415 -14.368 1.00 0.00 O ATOM 514 CB GLN A 32 9.070 -21.657 -12.984 1.00 0.00 C ATOM 515 CG GLN A 32 10.555 -21.709 -13.296 1.00 0.00 C ATOM 516 CD GLN A 32 10.830 -21.926 -14.771 1.00 0.00 C ATOM 517 OE1 GLN A 32 10.228 -22.795 -15.408 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.746 -21.138 -15.324 1.00 0.00 N ATOM 0 H GLN A 32 9.325 -19.242 -12.476 1.00 0.00 H new ATOM 0 HA GLN A 32 8.531 -20.655 -14.810 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.940 -21.493 -11.914 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.628 -22.626 -13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.023 -20.778 -12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.016 -22.512 -12.721 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.219 -20.432 -14.760 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.976 -21.239 -16.313 1.00 0.00 H new ATOM 527 N GLU A 33 6.240 -20.182 -12.494 1.00 0.00 N ATOM 528 CA GLU A 33 4.783 -20.179 -12.297 1.00 0.00 C ATOM 529 C GLU A 33 4.082 -19.325 -13.375 1.00 0.00 C ATOM 530 O GLU A 33 2.987 -19.656 -13.829 1.00 0.00 O ATOM 531 CB GLU A 33 4.434 -19.661 -10.900 1.00 0.00 C ATOM 532 CG GLU A 33 3.003 -19.942 -10.465 1.00 0.00 C ATOM 533 CD GLU A 33 2.888 -21.286 -9.800 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.150 -22.271 -10.446 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.647 -21.322 -8.616 1.00 0.00 O ATOM 0 H GLU A 33 6.767 -19.709 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 33 4.427 -21.205 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.115 -20.111 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.605 -18.585 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.670 -19.164 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.343 -19.905 -11.332 1.00 0.00 H new ATOM 542 N THR A 34 4.733 -18.238 -13.803 1.00 0.00 N ATOM 543 CA THR A 34 4.185 -17.369 -14.863 1.00 0.00 C ATOM 544 C THR A 34 4.042 -18.127 -16.192 1.00 0.00 C ATOM 545 O THR A 34 3.065 -17.947 -16.925 1.00 0.00 O ATOM 546 CB THR A 34 5.069 -16.128 -15.089 1.00 0.00 C ATOM 547 OG1 THR A 34 5.111 -15.343 -13.891 1.00 0.00 O ATOM 548 CG2 THR A 34 4.518 -15.281 -16.227 1.00 0.00 C ATOM 0 H THR A 34 5.636 -17.936 -13.437 1.00 0.00 H new ATOM 0 HA THR A 34 3.200 -17.049 -14.524 1.00 0.00 H new ATOM 0 HB THR A 34 6.074 -16.459 -15.350 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.322 -15.921 -13.128 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.155 -14.409 -16.373 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.497 -15.872 -17.143 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.507 -14.955 -15.982 1.00 0.00 H new ATOM 556 N THR A 35 5.028 -18.962 -16.501 1.00 0.00 N ATOM 557 CA THR A 35 5.045 -19.719 -17.765 1.00 0.00 C ATOM 558 C THR A 35 4.252 -21.042 -17.670 1.00 0.00 C ATOM 559 O THR A 35 3.697 -21.517 -18.667 1.00 0.00 O ATOM 560 CB THR A 35 6.487 -20.036 -18.203 1.00 0.00 C ATOM 561 OG1 THR A 35 7.129 -20.834 -17.201 1.00 0.00 O ATOM 562 CG2 THR A 35 7.277 -18.752 -18.406 1.00 0.00 C ATOM 0 H THR A 35 5.831 -19.138 -15.898 1.00 0.00 H new ATOM 0 HA THR A 35 4.565 -19.080 -18.506 1.00 0.00 H new ATOM 0 HB THR A 35 6.453 -20.582 -19.146 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.567 -20.866 -16.399 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.294 -18.995 -18.715 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.798 -18.148 -19.177 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.306 -18.191 -17.472 1.00 0.00 H new ATOM 570 N LYS A 36 4.179 -21.625 -16.474 1.00 0.00 N ATOM 571 CA LYS A 36 3.495 -22.915 -16.282 1.00 0.00 C ATOM 572 C LYS A 36 2.189 -22.791 -15.463 1.00 0.00 C ATOM 573 O LYS A 36 1.148 -23.317 -15.868 1.00 0.00 O ATOM 574 CB LYS A 36 4.441 -23.908 -15.603 1.00 0.00 C ATOM 575 CG LYS A 36 5.708 -24.211 -16.393 1.00 0.00 C ATOM 576 CD LYS A 36 5.387 -24.893 -17.713 1.00 0.00 C ATOM 577 CE LYS A 36 4.811 -26.284 -17.494 1.00 0.00 C ATOM 578 NZ LYS A 36 4.641 -27.025 -18.774 1.00 0.00 N ATOM 0 H LYS A 36 4.581 -21.231 -15.623 1.00 0.00 H new ATOM 0 HA LYS A 36 3.215 -23.276 -17.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.722 -23.514 -14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.905 -24.841 -15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.251 -23.285 -16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.364 -24.850 -15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.675 -24.287 -18.274 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.291 -24.963 -18.317 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.468 -26.849 -16.833 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.847 -26.202 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.246 -27.967 -18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.994 -26.500 -19.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.564 -27.126 -19.242 1.00 0.00 H new ATOM 592 N PHE A 37 2.265 -22.121 -14.305 1.00 0.00 N ATOM 593 CA PHE A 37 1.148 -22.039 -13.334 1.00 0.00 C ATOM 594 C PHE A 37 1.102 -23.286 -12.418 1.00 0.00 C ATOM 595 O PHE A 37 0.317 -23.360 -11.467 1.00 0.00 O ATOM 596 CB PHE A 37 -0.200 -21.827 -14.063 1.00 0.00 C ATOM 597 CG PHE A 37 -1.303 -21.260 -13.196 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.467 -19.888 -13.074 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.177 -22.095 -12.512 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.476 -19.361 -12.289 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.187 -21.572 -11.727 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.336 -20.204 -11.614 1.00 0.00 C ATOM 0 H PHE A 37 3.101 -21.617 -14.008 1.00 0.00 H new ATOM 0 HA PHE A 37 1.324 -21.174 -12.695 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.040 -21.157 -14.908 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.531 -22.782 -14.471 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.798 -19.223 -13.599 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.066 -23.166 -12.595 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.591 -18.291 -12.204 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.860 -22.234 -11.202 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.124 -19.794 -10.999 1.00 0.00 H new ATOM 612 N VAL A 38 1.983 -24.251 -12.696 1.00 0.00 N ATOM 613 CA VAL A 38 1.957 -25.571 -12.047 1.00 0.00 C ATOM 614 C VAL A 38 3.380 -26.043 -11.689 1.00 0.00 C ATOM 615 O VAL A 38 4.368 -25.427 -12.086 1.00 0.00 O ATOM 616 CB VAL A 38 1.285 -26.627 -12.945 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.168 -26.257 -13.206 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.041 -26.771 -14.257 1.00 0.00 C ATOM 0 H VAL A 38 2.735 -24.142 -13.376 1.00 0.00 H new ATOM 0 HA VAL A 38 1.374 -25.462 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 38 1.310 -27.585 -12.427 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.628 -27.014 -13.842 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.706 -26.204 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.213 -25.288 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.552 -27.521 -14.878 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.047 -25.815 -14.780 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.066 -27.080 -14.054 1.00 0.00 H new ATOM 628 N THR A 39 3.483 -27.146 -10.949 1.00 0.00 N ATOM 629 CA THR A 39 4.798 -27.676 -10.545 1.00 0.00 C ATOM 630 C THR A 39 5.762 -27.852 -11.738 1.00 0.00 C ATOM 631 O THR A 39 5.584 -28.721 -12.591 1.00 0.00 O ATOM 632 CB THR A 39 4.651 -29.028 -9.823 1.00 0.00 C ATOM 633 OG1 THR A 39 3.715 -28.897 -8.745 1.00 0.00 O ATOM 634 CG2 THR A 39 5.992 -29.487 -9.273 1.00 0.00 C ATOM 0 H THR A 39 2.686 -27.689 -10.617 1.00 0.00 H new ATOM 0 HA THR A 39 5.223 -26.935 -9.868 1.00 0.00 H new ATOM 0 HB THR A 39 4.291 -29.768 -10.538 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.824 -28.710 -9.107 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.869 -30.444 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.702 -29.599 -10.092 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.368 -28.747 -8.566 1.00 0.00 H new ATOM 642 N GLU A 40 6.774 -26.987 -11.801 1.00 0.00 N ATOM 643 CA GLU A 40 7.863 -27.111 -12.784 1.00 0.00 C ATOM 644 C GLU A 40 9.169 -27.575 -12.111 1.00 0.00 C ATOM 645 O GLU A 40 9.416 -27.269 -10.945 1.00 0.00 O ATOM 646 CB GLU A 40 8.087 -25.781 -13.505 1.00 0.00 C ATOM 647 CG GLU A 40 9.001 -25.869 -14.719 1.00 0.00 C ATOM 648 CD GLU A 40 8.576 -26.976 -15.643 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.649 -28.114 -15.249 1.00 0.00 O ATOM 650 OE2 GLU A 40 8.073 -26.678 -16.701 1.00 0.00 O ATOM 0 H GLU A 40 6.867 -26.184 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 40 7.569 -27.865 -13.515 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.121 -25.386 -13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.509 -25.066 -12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.989 -24.920 -15.255 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.027 -26.038 -14.393 1.00 0.00 H new ATOM 657 N ARG A 41 10.015 -28.305 -12.845 1.00 0.00 N ATOM 658 CA ARG A 41 11.284 -28.794 -12.290 1.00 0.00 C ATOM 659 C ARG A 41 12.032 -27.669 -11.561 1.00 0.00 C ATOM 660 O ARG A 41 12.308 -27.768 -10.370 1.00 0.00 O ATOM 661 CB ARG A 41 12.158 -29.454 -13.346 1.00 0.00 C ATOM 662 CG ARG A 41 13.506 -29.945 -12.843 1.00 0.00 C ATOM 663 CD ARG A 41 14.354 -30.580 -13.885 1.00 0.00 C ATOM 664 NE ARG A 41 15.736 -30.796 -13.487 1.00 0.00 N ATOM 665 CZ ARG A 41 16.678 -31.355 -14.271 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.387 -31.789 -15.477 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.901 -31.479 -13.786 1.00 0.00 N ATOM 0 H ARG A 41 9.848 -28.569 -13.816 1.00 0.00 H new ATOM 0 HA ARG A 41 11.042 -29.567 -11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.615 -30.298 -13.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.325 -28.743 -14.155 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.049 -29.103 -12.413 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.341 -30.662 -12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.914 -31.539 -14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.339 -29.955 -14.778 1.00 0.00 H new ATOM 0 HE ARG A 41 16.011 -30.504 -12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.435 -31.705 -15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.113 -32.210 -16.057 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.110 -31.155 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.636 -31.898 -14.356 1.00 0.00 H new ATOM 681 N GLU A 42 12.318 -26.584 -12.275 1.00 0.00 N ATOM 682 CA GLU A 42 13.096 -25.468 -11.719 1.00 0.00 C ATOM 683 C GLU A 42 12.332 -24.776 -10.570 1.00 0.00 C ATOM 684 O GLU A 42 12.928 -24.166 -9.685 1.00 0.00 O ATOM 685 CB GLU A 42 13.433 -24.455 -12.814 1.00 0.00 C ATOM 686 CG GLU A 42 14.451 -24.947 -13.833 1.00 0.00 C ATOM 687 CD GLU A 42 14.689 -23.921 -14.907 1.00 0.00 C ATOM 688 OE1 GLU A 42 14.057 -22.893 -14.870 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.582 -24.115 -15.698 1.00 0.00 O ATOM 0 H GLU A 42 12.024 -26.449 -13.242 1.00 0.00 H new ATOM 0 HA GLU A 42 14.024 -25.873 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.516 -24.184 -13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.814 -23.547 -12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.391 -25.175 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.098 -25.874 -14.285 1.00 0.00 H new ATOM 696 N TYR A 43 11.006 -24.898 -10.599 1.00 0.00 N ATOM 697 CA TYR A 43 10.122 -24.312 -9.581 1.00 0.00 C ATOM 698 C TYR A 43 10.365 -24.924 -8.188 1.00 0.00 C ATOM 699 O TYR A 43 10.173 -24.256 -7.174 1.00 0.00 O ATOM 700 CB TYR A 43 8.658 -24.496 -9.984 1.00 0.00 C ATOM 701 CG TYR A 43 7.695 -23.617 -9.216 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.143 -22.491 -8.540 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.342 -23.917 -9.169 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.268 -21.686 -7.837 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.458 -23.118 -8.469 1.00 0.00 C ATOM 706 CZ TYR A 43 5.926 -22.003 -7.804 1.00 0.00 C ATOM 707 OH TYR A 43 5.050 -21.203 -7.107 1.00 0.00 O ATOM 0 H TYR A 43 10.508 -25.407 -11.330 1.00 0.00 H new ATOM 0 HA TYR A 43 10.352 -23.248 -9.521 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.555 -24.286 -11.049 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.379 -25.539 -9.836 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.193 -22.240 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.973 -24.789 -9.688 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.633 -20.813 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.407 -23.365 -8.443 1.00 0.00 H new ATOM 0 HH TYR A 43 4.185 -21.186 -7.567 1.00 0.00 H new ATOM 717 N TYR A 44 10.787 -26.194 -8.137 1.00 0.00 N ATOM 718 CA TYR A 44 11.101 -26.842 -6.846 1.00 0.00 C ATOM 719 C TYR A 44 12.523 -27.436 -6.785 1.00 0.00 C ATOM 720 O TYR A 44 12.933 -27.939 -5.742 1.00 0.00 O ATOM 721 CB TYR A 44 10.076 -27.940 -6.555 1.00 0.00 C ATOM 722 CG TYR A 44 10.161 -29.122 -7.495 1.00 0.00 C ATOM 723 CD1 TYR A 44 11.041 -30.166 -7.251 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.357 -29.191 -8.624 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.123 -31.248 -8.107 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.429 -30.268 -9.486 1.00 0.00 C ATOM 727 CZ TYR A 44 10.314 -31.294 -9.225 1.00 0.00 C ATOM 728 OH TYR A 44 10.389 -32.369 -10.081 1.00 0.00 O ATOM 0 H TYR A 44 10.919 -26.788 -8.955 1.00 0.00 H new ATOM 0 HA TYR A 44 11.054 -26.060 -6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.214 -28.291 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.075 -27.513 -6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.674 -30.133 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.664 -28.390 -8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.815 -32.052 -7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.796 -30.307 -10.360 1.00 0.00 H new ATOM 0 HH TYR A 44 9.753 -32.246 -10.817 1.00 0.00 H new ATOM 738 N GLU A 45 13.273 -27.376 -7.888 1.00 0.00 N ATOM 739 CA GLU A 45 14.629 -27.957 -7.945 1.00 0.00 C ATOM 740 C GLU A 45 15.640 -27.185 -7.073 1.00 0.00 C ATOM 741 O GLU A 45 16.373 -27.779 -6.279 1.00 0.00 O ATOM 742 CB GLU A 45 15.122 -28.002 -9.392 1.00 0.00 C ATOM 743 CG GLU A 45 16.543 -28.525 -9.558 1.00 0.00 C ATOM 744 CD GLU A 45 16.898 -28.694 -11.008 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.820 -27.732 -11.735 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.355 -29.752 -11.368 1.00 0.00 O ATOM 0 H GLU A 45 12.971 -26.933 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 45 14.560 -28.968 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.447 -28.630 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.066 -26.998 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.244 -27.835 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.643 -29.481 -9.043 1.00 0.00 H new ATOM 753 N ASP A 46 15.685 -25.865 -7.227 1.00 0.00 N ATOM 754 CA ASP A 46 16.573 -25.028 -6.410 1.00 0.00 C ATOM 755 C ASP A 46 15.826 -24.375 -5.235 1.00 0.00 C ATOM 756 O ASP A 46 16.330 -23.436 -4.605 1.00 0.00 O ATOM 757 CB ASP A 46 17.230 -23.950 -7.275 1.00 0.00 C ATOM 758 CG ASP A 46 18.150 -24.489 -8.362 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.943 -25.351 -8.067 1.00 0.00 O ATOM 760 OD2 ASP A 46 17.948 -24.152 -9.504 1.00 0.00 O ATOM 0 H ASP A 46 15.123 -25.350 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 46 17.342 -25.679 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.449 -23.350 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.802 -23.283 -6.630 1.00 0.00 H new ATOM 765 N PHE A 47 14.634 -24.879 -4.935 1.00 0.00 N ATOM 766 CA PHE A 47 13.793 -24.311 -3.877 1.00 0.00 C ATOM 767 C PHE A 47 13.421 -25.356 -2.808 1.00 0.00 C ATOM 768 O PHE A 47 13.649 -26.555 -2.977 1.00 0.00 O ATOM 769 CB PHE A 47 12.525 -23.708 -4.483 1.00 0.00 C ATOM 770 CG PHE A 47 12.786 -22.563 -5.420 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.901 -21.267 -4.940 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.920 -22.780 -6.783 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.140 -20.213 -5.801 1.00 0.00 C ATOM 774 CE2 PHE A 47 13.162 -21.728 -7.647 1.00 0.00 C ATOM 775 CZ PHE A 47 13.271 -20.444 -7.155 1.00 0.00 C ATOM 0 H PHE A 47 14.223 -25.683 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 47 14.371 -23.530 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.983 -24.488 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.876 -23.365 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.803 -21.079 -3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.834 -23.783 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.224 -19.208 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.266 -21.911 -8.706 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.459 -19.621 -7.828 1.00 0.00 H new ATOM 785 N GLY A 48 12.837 -24.890 -1.706 1.00 0.00 N ATOM 786 CA GLY A 48 12.366 -25.802 -0.665 1.00 0.00 C ATOM 787 C GLY A 48 12.293 -25.162 0.717 1.00 0.00 C ATOM 788 O GLY A 48 11.404 -25.476 1.510 1.00 0.00 O ATOM 0 H GLY A 48 12.680 -23.901 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.378 -26.173 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.030 -26.666 -0.622 1.00 0.00 H new ATOM 792 N TYR A 49 13.224 -24.260 1.010 1.00 0.00 N ATOM 793 CA TYR A 49 13.266 -23.589 2.320 1.00 0.00 C ATOM 794 C TYR A 49 13.396 -22.066 2.175 1.00 0.00 C ATOM 795 O TYR A 49 14.265 -21.573 1.462 1.00 0.00 O ATOM 796 CB TYR A 49 14.421 -24.143 3.166 1.00 0.00 C ATOM 797 CG TYR A 49 14.234 -25.597 3.574 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.652 -26.638 2.748 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.630 -25.925 4.784 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.475 -27.960 3.119 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.449 -27.242 5.159 1.00 0.00 C ATOM 802 CZ TYR A 49 13.872 -28.255 4.324 1.00 0.00 C ATOM 803 OH TYR A 49 13.691 -29.568 4.696 1.00 0.00 O ATOM 0 H TYR A 49 13.961 -23.972 0.366 1.00 0.00 H new ATOM 0 HA TYR A 49 12.322 -23.794 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.350 -24.049 2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.528 -23.533 4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.122 -26.410 1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.297 -25.136 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.807 -28.756 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.978 -27.478 6.102 1.00 0.00 H new ATOM 0 HH TYR A 49 13.253 -29.602 5.572 1.00 0.00 H new ATOM 813 N GLY A 50 12.530 -21.331 2.871 1.00 0.00 N ATOM 814 CA GLY A 50 12.592 -19.872 2.870 1.00 0.00 C ATOM 815 C GLY A 50 11.206 -19.238 2.856 1.00 0.00 C ATOM 816 O GLY A 50 10.207 -19.950 2.924 1.00 0.00 O ATOM 0 H GLY A 50 11.780 -21.721 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.136 -19.532 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.153 -19.534 1.999 1.00 0.00 H new ATOM 820 N GLU A 51 11.145 -17.907 2.756 1.00 0.00 N ATOM 821 CA GLU A 51 9.864 -17.174 2.740 1.00 0.00 C ATOM 822 C GLU A 51 8.818 -17.880 1.869 1.00 0.00 C ATOM 823 O GLU A 51 7.754 -18.265 2.343 1.00 0.00 O ATOM 824 CB GLU A 51 10.071 -15.741 2.244 1.00 0.00 C ATOM 825 CG GLU A 51 10.595 -14.778 3.301 1.00 0.00 C ATOM 826 CD GLU A 51 9.497 -14.339 4.230 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.250 -15.024 5.192 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.984 -13.261 4.042 1.00 0.00 O ATOM 0 H GLU A 51 11.968 -17.308 2.684 1.00 0.00 H new ATOM 0 HA GLU A 51 9.491 -17.150 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.769 -15.757 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.123 -15.361 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.388 -15.259 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.035 -13.906 2.816 1.00 0.00 H new ATOM 835 N CYS A 52 9.132 -18.036 0.591 1.00 0.00 N ATOM 836 CA CYS A 52 8.360 -18.900 -0.304 1.00 0.00 C ATOM 837 C CYS A 52 9.281 -19.960 -0.922 1.00 0.00 C ATOM 838 O CYS A 52 9.470 -20.003 -2.137 1.00 0.00 O ATOM 839 CB CYS A 52 7.853 -17.928 -1.370 1.00 0.00 C ATOM 840 SG CYS A 52 6.776 -16.618 -0.739 1.00 0.00 S ATOM 0 H CYS A 52 9.923 -17.573 0.143 1.00 0.00 H new ATOM 0 HA CYS A 52 7.554 -19.442 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.710 -17.470 -1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.312 -18.492 -2.130 1.00 0.00 H new ATOM 0 HG CYS A 52 6.577 -15.734 -1.671 1.00 0.00 H new ATOM 846 N PHE A 53 9.892 -20.785 -0.061 1.00 0.00 N ATOM 847 CA PHE A 53 10.868 -21.806 -0.495 1.00 0.00 C ATOM 848 C PHE A 53 12.143 -21.179 -1.101 1.00 0.00 C ATOM 849 O PHE A 53 12.984 -21.888 -1.656 1.00 0.00 O ATOM 850 CB PHE A 53 10.240 -22.771 -1.520 1.00 0.00 C ATOM 851 CG PHE A 53 9.121 -23.648 -0.996 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.597 -23.469 0.274 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.588 -24.656 -1.796 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.571 -24.274 0.733 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.564 -25.457 -1.338 1.00 0.00 C ATOM 856 CZ PHE A 53 7.055 -25.265 -0.073 1.00 0.00 C ATOM 0 H PHE A 53 9.730 -20.768 0.946 1.00 0.00 H new ATOM 0 HA PHE A 53 11.152 -22.358 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.857 -22.185 -2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.026 -23.414 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.994 -22.693 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.983 -24.812 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.173 -24.126 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.161 -26.234 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.252 -25.891 0.287 1.00 0.00 H new ATOM 866 N ASN A 54 12.292 -19.861 -0.972 1.00 0.00 N ATOM 867 CA ASN A 54 13.312 -19.119 -1.721 1.00 0.00 C ATOM 868 C ASN A 54 14.571 -18.836 -0.880 1.00 0.00 C ATOM 869 O ASN A 54 14.652 -19.212 0.290 1.00 0.00 O ATOM 870 CB ASN A 54 12.748 -17.819 -2.267 1.00 0.00 C ATOM 871 CG ASN A 54 12.331 -16.847 -1.200 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.026 -16.663 -0.193 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.162 -16.284 -1.374 1.00 0.00 N ATOM 0 H ASN A 54 11.720 -19.283 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 54 13.610 -19.757 -2.553 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.497 -17.347 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.888 -18.043 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.785 -15.660 -0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.628 -16.469 -2.223 1.00 0.00 H new ATOM 880 N SER A 55 15.545 -18.153 -1.488 1.00 0.00 N ATOM 881 CA SER A 55 16.765 -17.718 -0.781 1.00 0.00 C ATOM 882 C SER A 55 16.820 -16.185 -0.669 1.00 0.00 C ATOM 883 O SER A 55 17.883 -15.574 -0.787 1.00 0.00 O ATOM 884 CB SER A 55 17.998 -18.241 -1.493 1.00 0.00 C ATOM 885 OG SER A 55 18.060 -17.807 -2.824 1.00 0.00 O ATOM 0 H SER A 55 15.517 -17.886 -2.472 1.00 0.00 H new ATOM 0 HA SER A 55 16.740 -18.129 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.891 -17.910 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.997 -19.331 -1.467 1.00 0.00 H new ATOM 0 HG SER A 55 17.177 -17.898 -3.239 1.00 0.00 H new ATOM 891 N THR A 56 15.654 -15.580 -0.464 1.00 0.00 N ATOM 892 CA THR A 56 15.514 -14.120 -0.356 1.00 0.00 C ATOM 893 C THR A 56 15.296 -13.657 1.097 1.00 0.00 C ATOM 894 O THR A 56 14.520 -14.254 1.844 1.00 0.00 O ATOM 895 CB THR A 56 14.347 -13.609 -1.220 1.00 0.00 C ATOM 896 OG1 THR A 56 14.574 -13.960 -2.591 1.00 0.00 O ATOM 897 CG2 THR A 56 14.216 -12.098 -1.102 1.00 0.00 C ATOM 0 H THR A 56 14.773 -16.085 -0.367 1.00 0.00 H new ATOM 0 HA THR A 56 16.453 -13.700 -0.716 1.00 0.00 H new ATOM 0 HB THR A 56 13.425 -14.071 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.349 -14.556 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.386 -11.755 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.030 -11.829 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.138 -11.625 -1.439 1.00 0.00 H new ATOM 905 N GLU A 57 15.987 -12.578 1.483 1.00 0.00 N ATOM 906 CA GLU A 57 15.861 -11.989 2.828 1.00 0.00 C ATOM 907 C GLU A 57 14.398 -11.755 3.265 1.00 0.00 C ATOM 908 O GLU A 57 13.692 -10.905 2.711 1.00 0.00 O ATOM 909 CB GLU A 57 16.631 -10.667 2.887 1.00 0.00 C ATOM 910 CG GLU A 57 16.627 -9.998 4.254 1.00 0.00 C ATOM 911 CD GLU A 57 17.506 -10.736 5.226 1.00 0.00 C ATOM 912 OE1 GLU A 57 18.107 -11.708 4.834 1.00 0.00 O ATOM 913 OE2 GLU A 57 17.666 -10.265 6.327 1.00 0.00 O ATOM 0 H GLU A 57 16.647 -12.088 0.878 1.00 0.00 H new ATOM 0 HA GLU A 57 16.283 -12.714 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.663 -10.848 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.204 -9.979 2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.971 -8.968 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.608 -9.959 4.639 1.00 0.00 H new ATOM 920 N SER A 58 13.948 -12.534 4.247 1.00 0.00 N ATOM 921 CA SER A 58 12.606 -12.377 4.823 1.00 0.00 C ATOM 922 C SER A 58 12.343 -10.916 5.234 1.00 0.00 C ATOM 923 O SER A 58 12.955 -10.410 6.179 1.00 0.00 O ATOM 924 CB SER A 58 12.439 -13.300 6.014 1.00 0.00 C ATOM 925 OG SER A 58 11.151 -13.230 6.559 1.00 0.00 O ATOM 0 H SER A 58 14.495 -13.287 4.665 1.00 0.00 H new ATOM 0 HA SER A 58 11.875 -12.646 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.648 -14.325 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.170 -13.040 6.779 1.00 0.00 H new ATOM 0 HG SER A 58 10.981 -14.030 7.099 1.00 0.00 H new ATOM 931 N GLU A 59 11.419 -10.242 4.540 1.00 0.00 N ATOM 932 CA GLU A 59 11.043 -8.866 4.909 1.00 0.00 C ATOM 933 C GLU A 59 9.522 -8.679 5.103 1.00 0.00 C ATOM 934 O GLU A 59 9.089 -7.754 5.798 1.00 0.00 O ATOM 935 CB GLU A 59 11.549 -7.887 3.847 1.00 0.00 C ATOM 936 CG GLU A 59 13.064 -7.762 3.780 1.00 0.00 C ATOM 937 CD GLU A 59 13.486 -6.814 2.693 1.00 0.00 C ATOM 938 OE1 GLU A 59 12.629 -6.277 2.033 1.00 0.00 O ATOM 939 OE2 GLU A 59 14.659 -6.539 2.594 1.00 0.00 O ATOM 0 H GLU A 59 10.923 -10.617 3.732 1.00 0.00 H new ATOM 0 HA GLU A 59 11.512 -8.662 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.179 -8.204 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.124 -6.903 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.445 -7.412 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.504 -8.743 3.601 1.00 0.00 H new ATOM 946 N VAL A 60 8.714 -9.561 4.514 1.00 0.00 N ATOM 947 CA VAL A 60 7.247 -9.440 4.595 1.00 0.00 C ATOM 948 C VAL A 60 6.600 -10.615 5.373 1.00 0.00 C ATOM 949 O VAL A 60 5.392 -10.626 5.630 1.00 0.00 O ATOM 950 CB VAL A 60 6.620 -9.365 3.190 1.00 0.00 C ATOM 951 CG1 VAL A 60 7.113 -8.129 2.452 1.00 0.00 C ATOM 952 CG2 VAL A 60 6.941 -10.622 2.396 1.00 0.00 C ATOM 0 H VAL A 60 9.042 -10.364 3.977 1.00 0.00 H new ATOM 0 HA VAL A 60 7.048 -8.516 5.138 1.00 0.00 H new ATOM 0 HB VAL A 60 5.538 -9.293 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.660 -8.092 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.835 -7.236 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.198 -8.172 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.490 -10.552 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.022 -10.723 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.541 -11.493 2.916 1.00 0.00 H new ATOM 962 N GLN A 61 7.434 -11.590 5.755 1.00 0.00 N ATOM 963 CA GLN A 61 7.036 -12.733 6.608 1.00 0.00 C ATOM 964 C GLN A 61 6.084 -13.728 5.912 1.00 0.00 C ATOM 965 O GLN A 61 5.124 -14.212 6.518 1.00 0.00 O ATOM 966 CB GLN A 61 6.371 -12.220 7.889 1.00 0.00 C ATOM 967 CG GLN A 61 7.267 -11.343 8.746 1.00 0.00 C ATOM 968 CD GLN A 61 6.586 -10.897 10.026 1.00 0.00 C ATOM 969 OE1 GLN A 61 5.401 -11.166 10.242 1.00 0.00 O ATOM 970 NE2 GLN A 61 7.331 -10.208 10.883 1.00 0.00 N ATOM 0 H GLN A 61 8.416 -11.614 5.481 1.00 0.00 H new ATOM 0 HA GLN A 61 7.955 -13.275 6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.478 -11.656 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.042 -13.074 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.177 -11.890 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.568 -10.466 8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.307 -10.008 10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.927 -9.879 11.760 1.00 0.00 H new ATOM 979 N CYS A 62 6.372 -14.070 4.655 1.00 0.00 N ATOM 980 CA CYS A 62 5.621 -15.127 3.959 1.00 0.00 C ATOM 981 C CYS A 62 5.781 -16.480 4.663 1.00 0.00 C ATOM 982 O CYS A 62 4.884 -17.322 4.614 1.00 0.00 O ATOM 983 CB CYS A 62 6.281 -15.159 2.580 1.00 0.00 C ATOM 984 SG CYS A 62 5.935 -13.712 1.551 1.00 0.00 S ATOM 0 H CYS A 62 7.111 -13.639 4.100 1.00 0.00 H new ATOM 0 HA CYS A 62 4.548 -14.937 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.360 -15.248 2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.948 -16.053 2.052 1.00 0.00 H new ATOM 0 HG CYS A 62 4.784 -13.861 0.966 1.00 0.00 H new ATOM 990 N GLU A 63 6.917 -16.679 5.342 1.00 0.00 N ATOM 991 CA GLU A 63 7.147 -17.913 6.114 1.00 0.00 C ATOM 992 C GLU A 63 6.018 -18.157 7.142 1.00 0.00 C ATOM 993 O GLU A 63 5.778 -19.288 7.570 1.00 0.00 O ATOM 994 CB GLU A 63 8.500 -17.852 6.825 1.00 0.00 C ATOM 995 CG GLU A 63 8.610 -16.756 7.875 1.00 0.00 C ATOM 996 CD GLU A 63 10.029 -16.586 8.342 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.609 -17.549 8.782 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.571 -15.522 8.155 1.00 0.00 O ATOM 0 H GLU A 63 7.687 -16.010 5.375 1.00 0.00 H new ATOM 0 HA GLU A 63 7.149 -18.747 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.690 -18.814 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.282 -17.704 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.246 -15.816 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.972 -16.998 8.725 1.00 0.00 H new ATOM 1005 N LEU A 64 5.345 -17.085 7.538 1.00 0.00 N ATOM 1006 CA LEU A 64 4.170 -17.160 8.406 1.00 0.00 C ATOM 1007 C LEU A 64 2.938 -16.672 7.630 1.00 0.00 C ATOM 1008 O LEU A 64 2.202 -17.468 7.050 1.00 0.00 O ATOM 1009 CB LEU A 64 4.384 -16.330 9.679 1.00 0.00 C ATOM 1010 CG LEU A 64 5.494 -16.834 10.609 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.716 -15.842 11.743 1.00 0.00 C ATOM 1012 CD2 LEU A 64 5.117 -18.203 11.156 1.00 0.00 C ATOM 0 H LEU A 64 5.597 -16.134 7.267 1.00 0.00 H new ATOM 0 HA LEU A 64 4.010 -18.194 8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.612 -15.304 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.448 -16.303 10.238 1.00 0.00 H new ATOM 0 HG LEU A 64 6.424 -16.925 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.506 -16.209 12.398 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.007 -14.876 11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.794 -15.730 12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.906 -18.561 11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.183 -18.128 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.991 -18.903 10.330 1.00 0.00 H new ATOM 1024 N ILE A 65 2.741 -15.348 7.627 1.00 0.00 N ATOM 1025 CA ILE A 65 1.644 -14.696 6.895 1.00 0.00 C ATOM 1026 C ILE A 65 1.955 -13.204 6.661 1.00 0.00 C ATOM 1027 O ILE A 65 2.464 -12.511 7.544 1.00 0.00 O ATOM 1028 CB ILE A 65 0.306 -14.826 7.644 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.845 -14.317 6.774 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.359 -14.067 8.961 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.212 -14.747 7.256 1.00 0.00 C ATOM 0 H ILE A 65 3.339 -14.695 8.133 1.00 0.00 H new ATOM 0 HA ILE A 65 1.554 -15.204 5.935 1.00 0.00 H new ATOM 0 HB ILE A 65 0.131 -15.880 7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.808 -13.228 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.701 -14.673 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.595 -14.169 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.155 -14.475 9.584 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.555 -13.013 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.975 -14.348 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.270 -15.835 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.378 -14.368 8.265 1.00 0.00 H new ATOM 1043 N THR A 66 1.650 -12.710 5.460 1.00 0.00 N ATOM 1044 CA THR A 66 2.003 -11.331 5.068 1.00 0.00 C ATOM 1045 C THR A 66 0.837 -10.350 5.318 1.00 0.00 C ATOM 1046 O THR A 66 1.026 -9.136 5.378 1.00 0.00 O ATOM 1047 CB THR A 66 2.409 -11.257 3.584 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.284 -11.590 2.760 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.549 -12.222 3.294 1.00 0.00 C ATOM 0 H THR A 66 1.160 -13.238 4.738 1.00 0.00 H new ATOM 0 HA THR A 66 2.850 -11.040 5.689 1.00 0.00 H new ATOM 0 HB THR A 66 2.741 -10.242 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.597 -11.853 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.823 -12.156 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.410 -11.963 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.232 -13.239 3.523 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.371 -10.888 5.475 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.585 -10.089 5.340 1.00 0.00 C ATOM 1059 C GLY A 67 -2.215 -10.141 3.947 1.00 0.00 C ATOM 1060 O GLY A 67 -3.404 -9.850 3.786 1.00 0.00 O ATOM 0 H GLY A 67 -0.534 -11.871 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.317 -10.433 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.354 -9.052 5.584 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.423 -10.523 2.946 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.934 -10.782 1.593 1.00 0.00 C ATOM 1066 C GLU A 68 -2.298 -12.259 1.349 1.00 0.00 C ATOM 1067 O GLU A 68 -3.005 -12.575 0.394 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.905 -10.328 0.555 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.540 -8.853 0.636 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.721 -7.979 0.316 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.163 -7.997 -0.807 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.253 -7.380 1.221 1.00 0.00 O ATOM 0 H GLU A 68 -0.417 -10.662 3.044 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.857 -10.210 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.001 -10.921 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.294 -10.540 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.174 -8.621 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.272 -8.639 -0.058 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.803 -13.156 2.200 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.091 -14.595 2.068 1.00 0.00 C ATOM 1081 C PHE A 69 -3.355 -15.020 2.843 1.00 0.00 C ATOM 1082 O PHE A 69 -3.584 -16.212 3.066 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.890 -15.415 2.543 1.00 0.00 C ATOM 1084 CG PHE A 69 0.339 -15.236 1.698 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.254 -14.666 0.437 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.583 -15.637 2.163 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.385 -14.500 -0.341 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.714 -15.471 1.389 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.615 -14.902 0.135 1.00 0.00 C ATOM 0 H PHE A 69 -1.201 -12.919 2.989 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.279 -14.788 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.656 -15.138 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.163 -16.470 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.706 -14.348 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.668 -16.084 3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.305 -14.055 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.676 -15.786 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.499 -14.772 -0.472 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.161 -14.043 3.253 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.382 -14.299 4.030 1.00 0.00 C ATOM 1101 C ASP A 70 -6.420 -15.096 3.196 1.00 0.00 C ATOM 1102 O ASP A 70 -6.940 -14.595 2.198 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.989 -12.980 4.514 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.243 -13.139 5.363 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.746 -14.234 5.445 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.596 -12.207 6.045 1.00 0.00 O ATOM 0 H ASP A 70 -3.992 -13.056 3.060 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.111 -14.902 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.239 -12.440 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.228 -12.364 3.647 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.740 -16.347 3.605 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.752 -17.195 2.923 1.00 0.00 C ATOM 1113 C PRO A 71 -9.145 -16.545 2.725 1.00 0.00 C ATOM 1114 O PRO A 71 -9.882 -16.934 1.817 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.841 -18.425 3.831 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.508 -18.492 4.495 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.115 -17.060 4.747 1.00 0.00 C ATOM 0 HA PRO A 71 -7.446 -17.402 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.644 -18.323 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.045 -19.329 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.561 -19.055 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.778 -18.994 3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.490 -16.699 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.032 -16.933 4.761 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.512 -15.572 3.559 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.819 -14.904 3.429 1.00 0.00 C ATOM 1127 C LYS A 72 -10.844 -13.968 2.202 1.00 0.00 C ATOM 1128 O LYS A 72 -11.904 -13.703 1.634 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.148 -14.119 4.700 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.425 -14.987 5.921 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.732 -14.137 7.145 1.00 0.00 C ATOM 1132 CE LYS A 72 -12.016 -15.002 8.364 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.291 -14.183 9.576 1.00 0.00 N ATOM 0 H LYS A 72 -8.934 -15.227 4.326 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.577 -15.674 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.317 -13.451 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.019 -13.492 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.266 -15.650 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.561 -15.621 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.889 -13.478 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.592 -13.500 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.871 -15.647 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.163 -15.654 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.479 -14.811 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.466 -13.586 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.120 -13.579 9.406 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.675 -13.462 1.810 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.584 -12.479 0.718 1.00 0.00 C ATOM 1149 C LEU A 73 -9.060 -13.112 -0.583 1.00 0.00 C ATOM 1150 O LEU A 73 -9.360 -12.633 -1.677 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.683 -11.310 1.138 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.151 -10.538 2.378 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.132 -9.466 2.740 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.514 -9.917 2.105 1.00 0.00 C ATOM 0 H LEU A 73 -8.778 -13.712 2.227 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.590 -12.110 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.680 -11.694 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.606 -10.613 0.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.240 -11.223 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.473 -8.923 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.171 -9.934 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.022 -8.772 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.847 -9.368 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.440 -9.234 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.233 -10.704 1.874 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.277 -14.182 -0.465 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.766 -14.899 -1.641 1.00 0.00 C ATOM 1168 C LEU A 74 -8.680 -16.093 -1.983 1.00 0.00 C ATOM 1169 O LEU A 74 -8.754 -17.062 -1.222 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.328 -15.372 -1.393 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.756 -16.311 -2.462 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.645 -15.581 -3.794 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.396 -16.824 -2.013 1.00 0.00 C ATOM 0 H LEU A 74 -7.981 -14.574 0.429 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.762 -14.217 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.683 -14.497 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.291 -15.879 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.425 -17.161 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.238 -16.257 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.633 -15.243 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.985 -14.721 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.990 -17.491 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.719 -15.982 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.504 -17.367 -1.074 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.390 -16.038 -3.131 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.147 -17.189 -3.660 1.00 0.00 C ATOM 1187 C PRO A 75 -9.247 -18.321 -4.179 1.00 0.00 C ATOM 1188 O PRO A 75 -8.178 -18.081 -4.743 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.952 -16.571 -4.811 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.106 -15.443 -5.295 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.444 -14.872 -4.066 1.00 0.00 C ATOM 0 HA PRO A 75 -10.755 -17.661 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.135 -17.298 -5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.926 -16.219 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.364 -15.791 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.710 -14.689 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.448 -14.487 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.019 -14.046 -3.646 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.680 -19.568 -3.995 1.00 0.00 N ATOM 1200 CA TYR A 76 -8.825 -20.718 -4.300 1.00 0.00 C ATOM 1201 C TYR A 76 -9.399 -21.603 -5.418 1.00 0.00 C ATOM 1202 O TYR A 76 -10.458 -22.213 -5.278 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.605 -21.554 -3.037 1.00 0.00 C ATOM 1204 CG TYR A 76 -7.799 -20.852 -1.968 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.418 -20.757 -2.067 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.418 -20.286 -0.864 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -5.676 -20.116 -1.094 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -7.686 -19.642 0.116 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.313 -19.561 -0.003 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.579 -18.922 0.969 1.00 0.00 O ATOM 0 H TYR A 76 -10.606 -19.808 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.874 -20.324 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.575 -21.831 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.099 -22.480 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.915 -21.191 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.492 -20.349 -0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.602 -20.050 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.185 -19.205 0.969 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.677 -18.740 0.631 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.693 -21.645 -6.545 1.00 0.00 N ATOM 1221 CA ASP A 77 -8.929 -22.657 -7.579 1.00 0.00 C ATOM 1222 C ASP A 77 -8.143 -23.931 -7.225 1.00 0.00 C ATOM 1223 O ASP A 77 -7.332 -23.913 -6.305 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.522 -22.136 -8.960 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.205 -22.841 -10.124 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -9.896 -23.803 -9.888 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.161 -22.322 -11.214 1.00 0.00 O ATOM 0 H ASP A 77 -7.947 -20.986 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.994 -22.887 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.747 -21.071 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.443 -22.240 -9.071 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.366 -25.023 -7.954 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.638 -26.279 -7.705 1.00 0.00 C ATOM 1234 C LYS A 78 -6.111 -26.087 -7.843 1.00 0.00 C ATOM 1235 O LYS A 78 -5.339 -26.394 -6.923 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.121 -27.371 -8.660 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.441 -28.720 -8.468 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.010 -29.765 -9.417 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.304 -31.103 -9.255 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.833 -32.130 -10.193 1.00 0.00 N ATOM 0 H LYS A 78 -9.039 -25.070 -8.719 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.845 -26.584 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.196 -27.498 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.958 -27.038 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.369 -28.617 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.571 -29.052 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.076 -29.889 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.907 -29.419 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.235 -30.972 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.422 -31.453 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.325 -33.026 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.847 -32.275 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.697 -31.808 -11.173 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.685 -25.532 -8.979 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.257 -25.338 -9.257 1.00 0.00 C ATOM 1256 C ARG A 79 -3.663 -24.213 -8.399 1.00 0.00 C ATOM 1257 O ARG A 79 -2.531 -24.321 -7.916 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.989 -25.107 -10.737 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.174 -26.332 -11.619 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.009 -26.070 -13.071 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.159 -27.243 -13.917 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.143 -27.224 -15.263 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.024 -26.093 -15.923 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.276 -28.372 -15.905 1.00 0.00 N ATOM 0 H ARG A 79 -6.305 -25.209 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.753 -26.264 -8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.651 -24.318 -11.093 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.968 -24.743 -10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.457 -27.095 -11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.169 -26.743 -11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.739 -25.321 -13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.022 -25.640 -13.240 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.285 -28.145 -13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.942 -25.212 -15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.014 -26.096 -16.943 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.387 -29.240 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.268 -28.390 -16.925 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.426 -23.136 -8.225 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.040 -22.038 -7.327 1.00 0.00 C ATOM 1280 C LEU A 80 -3.823 -22.542 -5.889 1.00 0.00 C ATOM 1281 O LEU A 80 -2.728 -22.417 -5.332 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.109 -20.937 -7.351 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.674 -19.594 -6.751 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -5.559 -18.474 -7.284 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.751 -19.666 -5.233 1.00 0.00 C ATOM 0 H LEU A 80 -5.321 -22.996 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.096 -21.626 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.416 -20.773 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.986 -21.292 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.644 -19.383 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.243 -17.524 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.472 -18.427 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.596 -18.669 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.442 -18.711 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.775 -19.883 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.091 -20.455 -4.872 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.865 -23.141 -5.310 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.798 -23.665 -3.943 1.00 0.00 C ATOM 1299 C ALA A 81 -3.524 -24.476 -3.698 1.00 0.00 C ATOM 1300 O ALA A 81 -2.749 -24.145 -2.805 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.025 -24.510 -3.625 1.00 0.00 C ATOM 0 H ALA A 81 -5.767 -23.276 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.776 -22.804 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.952 -24.888 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.923 -23.899 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.079 -25.348 -4.319 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.297 -25.524 -4.501 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.124 -26.387 -4.298 1.00 0.00 C ATOM 1309 C TRP A 82 -0.814 -25.600 -4.423 1.00 0.00 C ATOM 1310 O TRP A 82 -0.044 -25.521 -3.475 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.136 -27.542 -5.302 1.00 0.00 C ATOM 1312 CG TRP A 82 -0.853 -28.315 -5.340 1.00 0.00 C ATOM 1313 CD1 TRP A 82 0.164 -28.251 -4.434 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.449 -29.267 -6.332 1.00 0.00 C ATOM 1315 NE1 TRP A 82 1.177 -29.103 -4.800 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.823 -29.740 -5.963 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.043 -29.765 -7.498 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.512 -30.681 -6.712 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.352 -30.709 -8.249 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.888 -31.154 -7.866 1.00 0.00 C ATOM 0 H TRP A 82 -3.896 -25.792 -5.282 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.180 -26.787 -3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -2.952 -28.220 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.342 -27.146 -6.296 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.172 -27.622 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.050 -29.240 -4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.019 -29.422 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.489 -31.032 -6.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.800 -31.099 -9.151 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.394 -31.890 -8.474 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.583 -24.995 -5.585 1.00 0.00 N ATOM 1332 CA HIS A 83 0.740 -24.446 -5.913 1.00 0.00 C ATOM 1333 C HIS A 83 1.001 -23.113 -5.200 1.00 0.00 C ATOM 1334 O HIS A 83 2.052 -22.929 -4.595 1.00 0.00 O ATOM 1335 CB HIS A 83 0.882 -24.259 -7.427 1.00 0.00 C ATOM 1336 CG HIS A 83 0.890 -25.545 -8.194 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.237 -26.052 -8.807 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.885 -26.427 -8.446 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.066 -27.191 -9.405 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.347 -27.441 -9.200 1.00 0.00 N ATOM 0 H HIS A 83 -1.286 -24.870 -6.314 1.00 0.00 H new ATOM 0 HA HIS A 83 1.482 -25.164 -5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.062 -23.637 -7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.806 -23.718 -7.632 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.159 -25.616 -8.800 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.910 -26.348 -8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.617 -27.812 -9.966 1.00 0.00 H new ATOM 1345 N PHE A 84 0.041 -22.197 -5.250 1.00 0.00 N ATOM 1346 CA PHE A 84 0.203 -20.888 -4.607 1.00 0.00 C ATOM 1347 C PHE A 84 0.350 -21.006 -3.072 1.00 0.00 C ATOM 1348 O PHE A 84 1.306 -20.490 -2.491 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.968 -19.970 -4.981 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.922 -19.478 -6.416 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.770 -20.368 -7.476 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -1.035 -18.123 -6.703 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.735 -19.915 -8.781 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.999 -17.668 -8.009 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.849 -18.565 -9.049 1.00 0.00 C ATOM 0 H PHE A 84 -0.853 -22.330 -5.724 1.00 0.00 H new ATOM 0 HA PHE A 84 1.129 -20.448 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.904 -20.505 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.973 -19.110 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.678 -21.425 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.153 -17.415 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.618 -20.618 -9.593 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.088 -16.612 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.821 -18.211 -10.069 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.585 -21.695 -2.415 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.578 -21.796 -0.945 1.00 0.00 C ATOM 1367 C LYS A 85 0.625 -22.616 -0.436 1.00 0.00 C ATOM 1368 O LYS A 85 1.330 -22.195 0.481 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.884 -22.418 -0.449 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.038 -22.434 1.066 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.398 -22.975 1.479 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.535 -23.036 2.993 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.812 -23.675 3.412 1.00 0.00 N ATOM 0 H LYS A 85 -1.353 -22.190 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.487 -20.786 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.721 -21.869 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.949 -23.441 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.252 -23.047 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.912 -21.424 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.184 -22.342 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.538 -23.971 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.697 -23.593 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.483 -22.027 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.865 -23.696 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.613 -23.129 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.851 -24.647 3.043 1.00 0.00 H new ATOM 1387 N GLU A 86 0.854 -23.776 -1.043 1.00 0.00 N ATOM 1388 CA GLU A 86 1.901 -24.713 -0.601 1.00 0.00 C ATOM 1389 C GLU A 86 3.309 -24.108 -0.739 1.00 0.00 C ATOM 1390 O GLU A 86 4.162 -24.293 0.128 1.00 0.00 O ATOM 1391 CB GLU A 86 1.813 -26.018 -1.395 1.00 0.00 C ATOM 1392 CG GLU A 86 2.729 -27.124 -0.889 1.00 0.00 C ATOM 1393 CD GLU A 86 2.268 -27.648 0.443 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.187 -27.299 0.855 1.00 0.00 O ATOM 1395 OE2 GLU A 86 2.943 -28.483 0.997 1.00 0.00 O ATOM 0 H GLU A 86 0.325 -24.100 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 86 1.730 -24.918 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.784 -26.376 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.054 -25.812 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.754 -27.938 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.747 -26.744 -0.800 1.00 0.00 H new ATOM 1402 N PHE A 87 3.538 -23.379 -1.825 1.00 0.00 N ATOM 1403 CA PHE A 87 4.852 -22.787 -2.105 1.00 0.00 C ATOM 1404 C PHE A 87 5.113 -21.544 -1.236 1.00 0.00 C ATOM 1405 O PHE A 87 6.196 -21.388 -0.675 1.00 0.00 O ATOM 1406 CB PHE A 87 4.964 -22.425 -3.586 1.00 0.00 C ATOM 1407 CG PHE A 87 6.347 -22.021 -4.009 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.322 -22.977 -4.246 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.676 -20.683 -4.170 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.596 -22.606 -4.635 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.948 -20.309 -4.558 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.909 -21.273 -4.791 1.00 0.00 C ATOM 0 H PHE A 87 2.831 -23.180 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 87 5.609 -23.531 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.646 -23.279 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.275 -21.609 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.084 -24.024 -4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.929 -19.924 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.346 -23.361 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.191 -19.264 -4.679 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.904 -20.983 -5.095 1.00 0.00 H new ATOM 1422 N CYS A 88 4.114 -20.664 -1.126 1.00 0.00 N ATOM 1423 CA CYS A 88 4.286 -19.375 -0.434 1.00 0.00 C ATOM 1424 C CYS A 88 3.845 -19.416 1.040 1.00 0.00 C ATOM 1425 O CYS A 88 4.605 -19.052 1.934 1.00 0.00 O ATOM 1426 CB CYS A 88 3.369 -18.450 -1.235 1.00 0.00 C ATOM 1427 SG CYS A 88 3.866 -18.211 -2.959 1.00 0.00 S ATOM 0 H CYS A 88 3.179 -20.816 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 88 5.331 -19.066 -0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.357 -18.855 -1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.333 -17.478 -0.742 1.00 0.00 H new ATOM 0 HG CYS A 88 3.871 -16.941 -3.237 1.00 0.00 H new ATOM 1433 N TYR A 89 2.615 -19.870 1.293 1.00 0.00 N ATOM 1434 CA TYR A 89 1.990 -19.727 2.624 1.00 0.00 C ATOM 1435 C TYR A 89 2.410 -20.854 3.590 1.00 0.00 C ATOM 1436 O TYR A 89 2.585 -20.636 4.791 1.00 0.00 O ATOM 1437 CB TYR A 89 0.467 -19.698 2.492 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.261 -19.553 3.810 1.00 0.00 C ATOM 1439 CD1 TYR A 89 -0.268 -18.345 4.491 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -0.940 -20.626 4.368 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.930 -18.208 5.696 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.606 -20.500 5.572 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.599 -19.290 6.234 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.262 -19.159 7.433 1.00 0.00 O ATOM 0 H TYR A 89 2.029 -20.339 0.602 1.00 0.00 H new ATOM 0 HA TYR A 89 2.341 -18.785 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.185 -18.872 1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.137 -20.616 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.253 -17.497 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.948 -21.575 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.924 -17.260 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.130 -21.345 5.993 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.681 -20.013 7.670 1.00 0.00 H new ATOM 1454 N LYS A 90 2.593 -22.060 3.063 1.00 0.00 N ATOM 1455 CA LYS A 90 3.006 -23.201 3.885 1.00 0.00 C ATOM 1456 C LYS A 90 4.060 -22.799 4.930 1.00 0.00 C ATOM 1457 O LYS A 90 5.186 -22.444 4.596 1.00 0.00 O ATOM 1458 CB LYS A 90 3.548 -24.323 2.999 1.00 0.00 C ATOM 1459 CG LYS A 90 3.842 -25.623 3.739 1.00 0.00 C ATOM 1460 CD LYS A 90 2.557 -26.329 4.146 1.00 0.00 C ATOM 1461 CE LYS A 90 2.841 -27.720 4.695 1.00 0.00 C ATOM 1462 NZ LYS A 90 3.663 -28.532 3.756 1.00 0.00 N ATOM 0 H LYS A 90 2.463 -22.276 2.075 1.00 0.00 H new ATOM 0 HA LYS A 90 2.125 -23.556 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.827 -24.525 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.463 -23.979 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.435 -26.280 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.440 -25.412 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.037 -25.737 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.892 -26.404 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.360 -27.634 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.899 -28.233 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.555 -29.541 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.346 -28.362 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.663 -28.261 3.847 1.00 0.00 H new ATOM 1476 N THR A 91 3.687 -22.857 6.204 1.00 0.00 N ATOM 1477 CA THR A 91 4.575 -22.404 7.287 1.00 0.00 C ATOM 1478 C THR A 91 5.475 -23.533 7.822 1.00 0.00 C ATOM 1479 O THR A 91 6.512 -23.282 8.439 1.00 0.00 O ATOM 1480 CB THR A 91 3.766 -21.817 8.460 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.975 -22.850 9.062 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.852 -20.703 7.973 1.00 0.00 C ATOM 0 H THR A 91 2.783 -23.210 6.518 1.00 0.00 H new ATOM 0 HA THR A 91 5.210 -21.633 6.851 1.00 0.00 H new ATOM 0 HB THR A 91 4.462 -21.408 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.462 -22.476 9.809 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.289 -20.300 8.815 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.451 -19.910 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.160 -21.099 7.230 1.00 0.00 H new ATOM 1490 N SER A 92 5.078 -24.777 7.573 1.00 0.00 N ATOM 1491 CA SER A 92 5.809 -25.948 8.076 1.00 0.00 C ATOM 1492 C SER A 92 6.881 -26.414 7.080 1.00 0.00 C ATOM 1493 O SER A 92 6.789 -26.152 5.877 1.00 0.00 O ATOM 1494 CB SER A 92 4.842 -27.076 8.374 1.00 0.00 C ATOM 1495 OG SER A 92 3.955 -26.749 9.409 1.00 0.00 O ATOM 0 H SER A 92 4.250 -25.007 7.023 1.00 0.00 H new ATOM 0 HA SER A 92 6.316 -25.657 8.996 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.276 -27.315 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.402 -27.971 8.646 1.00 0.00 H new ATOM 0 HG SER A 92 3.348 -27.501 9.569 1.00 0.00 H new ATOM 1501 N ALA A 93 7.905 -27.091 7.596 1.00 0.00 N ATOM 1502 CA ALA A 93 9.023 -27.578 6.779 1.00 0.00 C ATOM 1503 C ALA A 93 9.528 -28.928 7.308 1.00 0.00 C ATOM 1504 O ALA A 93 10.471 -28.990 8.099 1.00 0.00 O ATOM 1505 CB ALA A 93 10.150 -26.549 6.747 1.00 0.00 C ATOM 0 H ALA A 93 7.986 -27.318 8.587 1.00 0.00 H new ATOM 0 HA ALA A 93 8.669 -27.725 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.970 -26.927 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.780 -25.617 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.506 -26.367 7.761 1.00 0.00 H new ATOM 1511 N HIS A 94 8.885 -30.006 6.870 1.00 0.00 N ATOM 1512 CA HIS A 94 9.175 -31.361 7.359 1.00 0.00 C ATOM 1513 C HIS A 94 9.973 -32.170 6.311 1.00 0.00 C ATOM 1514 O HIS A 94 10.609 -31.589 5.436 1.00 0.00 O ATOM 1515 CB HIS A 94 7.878 -32.096 7.715 1.00 0.00 C ATOM 1516 CG HIS A 94 7.065 -31.404 8.765 1.00 0.00 C ATOM 1517 ND1 HIS A 94 7.473 -31.307 10.078 1.00 0.00 N ATOM 1518 CD2 HIS A 94 5.867 -30.777 8.696 1.00 0.00 C ATOM 1519 CE1 HIS A 94 6.561 -30.649 10.772 1.00 0.00 C ATOM 1520 NE2 HIS A 94 5.577 -30.316 9.957 1.00 0.00 N ATOM 0 H HIS A 94 8.147 -29.971 6.166 1.00 0.00 H new ATOM 0 HA HIS A 94 9.784 -31.268 8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 94 7.274 -32.207 6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.123 -33.101 8.060 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.254 -30.661 7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.612 -30.422 11.827 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.738 -29.800 10.221 1.00 0.00 H new ATOM 1525 N GLY A 95 9.973 -33.506 6.435 1.00 0.00 N ATOM 1526 CA GLY A 95 10.695 -34.369 5.494 1.00 0.00 C ATOM 1527 C GLY A 95 10.319 -34.138 4.028 1.00 0.00 C ATOM 1528 O GLY A 95 11.113 -34.424 3.135 1.00 0.00 O ATOM 0 H GLY A 95 9.483 -34.008 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.766 -34.206 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.501 -35.411 5.749 1.00 0.00 H new ATOM 1532 N ILE A 96 9.107 -33.629 3.783 1.00 0.00 N ATOM 1533 CA ILE A 96 8.709 -33.154 2.445 1.00 0.00 C ATOM 1534 C ILE A 96 8.491 -31.620 2.422 1.00 0.00 C ATOM 1535 O ILE A 96 7.387 -31.131 2.669 1.00 0.00 O ATOM 1536 CB ILE A 96 7.425 -33.852 1.962 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.627 -35.369 1.918 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.013 -33.326 0.596 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.367 -36.144 1.605 1.00 0.00 C ATOM 0 H ILE A 96 8.380 -33.533 4.492 1.00 0.00 H new ATOM 0 HA ILE A 96 9.529 -33.403 1.772 1.00 0.00 H new ATOM 0 HB ILE A 96 6.624 -33.632 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.382 -35.604 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.018 -35.702 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.103 -33.831 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.830 -32.253 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.810 -33.516 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.590 -37.211 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.616 -35.940 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.986 -35.840 0.630 1.00 0.00 H new ATOM 1551 N PRO A 97 9.556 -30.829 2.169 1.00 0.00 N ATOM 1552 CA PRO A 97 9.483 -29.366 2.204 1.00 0.00 C ATOM 1553 C PRO A 97 9.057 -28.725 0.865 1.00 0.00 C ATOM 1554 O PRO A 97 8.813 -27.522 0.800 1.00 0.00 O ATOM 1555 CB PRO A 97 10.929 -29.004 2.540 1.00 0.00 C ATOM 1556 CG PRO A 97 11.750 -30.077 1.884 1.00 0.00 C ATOM 1557 CD PRO A 97 10.934 -31.358 1.941 1.00 0.00 C ATOM 0 HA PRO A 97 8.731 -29.004 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.189 -28.017 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.092 -28.983 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.979 -29.811 0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.702 -30.203 2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.005 -31.930 1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.259 -32.015 2.748 1.00 0.00 H new ATOM 1565 N MET A 98 8.975 -29.535 -0.196 1.00 0.00 N ATOM 1566 CA MET A 98 8.723 -29.031 -1.554 1.00 0.00 C ATOM 1567 C MET A 98 7.224 -29.014 -1.900 1.00 0.00 C ATOM 1568 O MET A 98 6.378 -29.377 -1.083 1.00 0.00 O ATOM 1569 CB MET A 98 9.486 -29.877 -2.570 1.00 0.00 C ATOM 1570 CG MET A 98 11.002 -29.795 -2.449 1.00 0.00 C ATOM 1571 SD MET A 98 11.854 -30.794 -3.685 1.00 0.00 S ATOM 1572 CE MET A 98 13.556 -30.326 -3.383 1.00 0.00 C ATOM 0 H MET A 98 9.080 -30.548 -0.141 1.00 0.00 H new ATOM 0 HA MET A 98 9.076 -28.000 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.181 -30.918 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.197 -29.565 -3.574 1.00 0.00 H new ATOM 0 HG2 MET A 98 11.315 -28.756 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.301 -30.123 -1.454 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.209 -30.862 -4.072 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.671 -29.253 -3.535 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.826 -30.578 -2.357 1.00 0.00 H new ATOM 1582 N ILE A 99 6.910 -28.598 -3.130 1.00 0.00 N ATOM 1583 CA ILE A 99 5.517 -28.472 -3.594 1.00 0.00 C ATOM 1584 C ILE A 99 4.771 -29.824 -3.567 1.00 0.00 C ATOM 1585 O ILE A 99 3.550 -29.866 -3.402 1.00 0.00 O ATOM 1586 CB ILE A 99 5.456 -27.896 -5.019 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.955 -26.448 -5.032 1.00 0.00 C ATOM 1588 CG2 ILE A 99 4.039 -27.978 -5.566 1.00 0.00 C ATOM 1589 CD1 ILE A 99 6.212 -25.903 -6.418 1.00 0.00 C ATOM 0 H ILE A 99 7.605 -28.340 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 99 5.025 -27.789 -2.902 1.00 0.00 H new ATOM 0 HB ILE A 99 6.107 -28.490 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.220 -25.816 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.875 -26.386 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.014 -27.566 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.718 -29.019 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.368 -27.407 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.563 -24.874 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.970 -26.510 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.289 -25.932 -6.997 1.00 0.00 H new ATOM 1601 N GLY A 100 5.506 -30.927 -3.716 1.00 0.00 N ATOM 1602 CA GLY A 100 4.863 -32.235 -3.801 1.00 0.00 C ATOM 1603 C GLY A 100 5.744 -33.413 -3.373 1.00 0.00 C ATOM 1604 O GLY A 100 5.861 -33.718 -2.185 1.00 0.00 O ATOM 0 H GLY A 100 6.524 -30.941 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.967 -32.225 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.537 -32.398 -4.828 1.00 0.00 H new ATOM 1608 N GLU A 101 6.393 -34.049 -4.346 1.00 0.00 N ATOM 1609 CA GLU A 101 7.222 -35.235 -4.091 1.00 0.00 C ATOM 1610 C GLU A 101 8.685 -34.909 -3.762 1.00 0.00 C ATOM 1611 O GLU A 101 9.494 -34.640 -4.650 1.00 0.00 O ATOM 1612 CB GLU A 101 7.168 -36.173 -5.300 1.00 0.00 C ATOM 1613 CG GLU A 101 7.916 -37.485 -5.112 1.00 0.00 C ATOM 1614 CD GLU A 101 7.864 -38.326 -6.356 1.00 0.00 C ATOM 1615 OE1 GLU A 101 7.286 -37.890 -7.322 1.00 0.00 O ATOM 1616 OE2 GLU A 101 8.497 -39.355 -6.381 1.00 0.00 O ATOM 0 H GLU A 101 6.363 -33.764 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 101 6.804 -35.716 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.125 -36.393 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.581 -35.654 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.955 -37.280 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.482 -38.037 -4.279 1.00 0.00 H new ATOM 1623 N ALA A 102 9.013 -34.928 -2.474 1.00 0.00 N ATOM 1624 CA ALA A 102 10.386 -34.702 -2.016 1.00 0.00 C ATOM 1625 C ALA A 102 10.856 -35.875 -1.135 1.00 0.00 C ATOM 1626 O ALA A 102 10.587 -35.915 0.063 1.00 0.00 O ATOM 1627 CB ALA A 102 10.480 -33.380 -1.265 1.00 0.00 C ATOM 0 H ALA A 102 8.345 -35.098 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 102 11.044 -34.647 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.505 -33.224 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.186 -32.564 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.816 -33.404 -0.401 1.00 0.00 H new ATOM 1633 N PRO A 103 11.554 -36.863 -1.731 1.00 0.00 N ATOM 1634 CA PRO A 103 12.133 -38.003 -0.988 1.00 0.00 C ATOM 1635 C PRO A 103 13.311 -37.609 -0.074 1.00 0.00 C ATOM 1636 O PRO A 103 14.468 -37.886 -0.390 1.00 0.00 O ATOM 1637 CB PRO A 103 12.578 -38.966 -2.094 1.00 0.00 C ATOM 1638 CG PRO A 103 12.901 -38.081 -3.248 1.00 0.00 C ATOM 1639 CD PRO A 103 11.881 -36.974 -3.200 1.00 0.00 C ATOM 0 HA PRO A 103 11.409 -38.438 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.445 -39.551 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.789 -39.675 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.914 -37.686 -3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.845 -38.627 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.283 -36.040 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.998 -37.216 -3.791 1.00 0.00 H new ATOM 1647 N LEU A 104 13.010 -36.953 1.054 1.00 0.00 N ATOM 1648 CA LEU A 104 14.044 -36.402 1.953 1.00 0.00 C ATOM 1649 C LEU A 104 15.004 -35.458 1.183 1.00 0.00 C ATOM 1650 O LEU A 104 16.195 -35.364 1.486 1.00 0.00 O ATOM 1651 CB LEU A 104 14.829 -37.541 2.617 1.00 0.00 C ATOM 1652 CG LEU A 104 13.982 -38.533 3.424 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.866 -39.641 3.982 1.00 0.00 C ATOM 1654 CD2 LEU A 104 13.268 -37.795 4.548 1.00 0.00 C ATOM 0 H LEU A 104 12.055 -36.788 1.371 1.00 0.00 H new ATOM 0 HA LEU A 104 13.548 -35.818 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.365 -38.091 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.579 -37.107 3.278 1.00 0.00 H new ATOM 0 HG LEU A 104 13.235 -38.988 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.256 -40.340 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.350 -40.169 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.626 -39.208 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.666 -38.500 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.004 -37.330 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.621 -37.026 4.125 1.00 0.00 H new ATOM 1666 N GLU A 105 14.457 -34.731 0.211 1.00 0.00 N ATOM 1667 CA GLU A 105 15.214 -33.722 -0.530 1.00 0.00 C ATOM 1668 C GLU A 105 15.316 -32.404 0.252 1.00 0.00 C ATOM 1669 O GLU A 105 14.460 -31.522 0.137 1.00 0.00 O ATOM 1670 CB GLU A 105 14.570 -33.475 -1.896 1.00 0.00 C ATOM 1671 CG GLU A 105 14.622 -34.668 -2.841 1.00 0.00 C ATOM 1672 CD GLU A 105 16.005 -34.867 -3.394 1.00 0.00 C ATOM 1673 OE1 GLU A 105 16.870 -34.085 -3.076 1.00 0.00 O ATOM 1674 OE2 GLU A 105 16.227 -35.861 -4.043 1.00 0.00 O ATOM 0 H GLU A 105 13.485 -34.823 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 105 16.225 -34.104 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.528 -33.190 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.067 -32.629 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.307 -35.567 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.919 -34.517 -3.660 1.00 0.00 H new ATOM 1681 N HIS A 106 16.361 -32.280 1.061 1.00 0.00 N ATOM 1682 CA HIS A 106 16.502 -31.140 1.964 1.00 0.00 C ATOM 1683 C HIS A 106 17.368 -30.050 1.314 1.00 0.00 C ATOM 1684 O HIS A 106 18.584 -30.017 1.504 1.00 0.00 O ATOM 1685 CB HIS A 106 17.110 -31.576 3.301 1.00 0.00 C ATOM 1686 CG HIS A 106 16.248 -32.525 4.073 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.089 -32.130 4.706 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.376 -33.851 4.313 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.540 -33.174 5.304 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.301 -34.229 5.081 1.00 0.00 N ATOM 0 H HIS A 106 17.125 -32.954 1.112 1.00 0.00 H new ATOM 0 HA HIS A 106 15.510 -30.732 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.076 -32.046 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.298 -30.692 3.910 1.00 0.00 H new ATOM 0 HD1 HIS A 106 14.714 -31.182 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.173 -34.492 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 106 13.625 -33.165 5.877 1.00 0.00 H new ATOM 1695 N HIS A 107 16.736 -29.179 0.528 1.00 0.00 N ATOM 1696 CA HIS A 107 17.429 -28.026 -0.065 1.00 0.00 C ATOM 1697 C HIS A 107 18.215 -27.234 0.992 1.00 0.00 C ATOM 1698 O HIS A 107 17.704 -26.965 2.082 1.00 0.00 O ATOM 1699 CB HIS A 107 16.430 -27.104 -0.773 1.00 0.00 C ATOM 1700 CG HIS A 107 17.030 -25.816 -1.243 1.00 0.00 C ATOM 1701 ND1 HIS A 107 17.942 -25.754 -2.277 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.850 -24.542 -0.823 1.00 0.00 C ATOM 1703 CE1 HIS A 107 18.296 -24.496 -2.471 1.00 0.00 C ATOM 1704 NE2 HIS A 107 17.649 -23.741 -1.603 1.00 0.00 N ATOM 0 H HIS A 107 15.748 -29.246 0.285 1.00 0.00 H new ATOM 0 HA HIS A 107 18.140 -28.412 -0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.006 -27.631 -1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.607 -26.885 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.200 -24.216 -0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.996 -24.145 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.729 -22.727 -1.524 1.00 0.00 H new ATOM 1709 N HIS A 108 19.454 -26.873 0.654 1.00 0.00 N ATOM 1710 CA HIS A 108 20.359 -26.181 1.586 1.00 0.00 C ATOM 1711 C HIS A 108 19.716 -24.949 2.255 1.00 0.00 C ATOM 1712 O HIS A 108 19.130 -24.093 1.590 1.00 0.00 O ATOM 1713 CB HIS A 108 21.639 -25.757 0.857 1.00 0.00 C ATOM 1714 CG HIS A 108 22.621 -25.045 1.734 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.343 -25.687 2.718 1.00 0.00 N ATOM 1716 CD2 HIS A 108 23.003 -23.747 1.774 1.00 0.00 C ATOM 1717 CE1 HIS A 108 24.126 -24.813 3.327 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.938 -23.630 2.774 1.00 0.00 N ATOM 0 H HIS A 108 19.860 -27.048 -0.265 1.00 0.00 H new ATOM 0 HA HIS A 108 20.590 -26.892 2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 108 22.116 -26.641 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.374 -25.109 0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.641 -22.952 1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.804 -25.030 4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 108 24.411 -22.768 3.045 1.00 0.00 H new ATOM 1723 N HIS A 109 19.830 -24.889 3.579 1.00 0.00 N ATOM 1724 CA HIS A 109 19.244 -23.809 4.381 1.00 0.00 C ATOM 1725 C HIS A 109 19.987 -23.697 5.724 1.00 0.00 C ATOM 1726 O HIS A 109 20.736 -24.598 6.104 1.00 0.00 O ATOM 1727 CB HIS A 109 17.749 -24.048 4.615 1.00 0.00 C ATOM 1728 CG HIS A 109 17.455 -25.265 5.434 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.456 -26.538 4.903 1.00 0.00 N ATOM 1730 CD2 HIS A 109 17.149 -25.406 6.746 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.165 -27.409 5.853 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.974 -26.747 6.980 1.00 0.00 N ATOM 0 H HIS A 109 20.331 -25.586 4.130 1.00 0.00 H new ATOM 0 HA HIS A 109 19.351 -22.873 3.834 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.324 -23.176 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.250 -24.141 3.651 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.651 -26.771 3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.059 -24.612 7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.095 -28.480 5.729 1.00 0.00 H new ATOM 1737 N HIS A 110 19.788 -22.595 6.438 1.00 0.00 N ATOM 1738 CA HIS A 110 20.445 -22.401 7.735 1.00 0.00 C ATOM 1739 C HIS A 110 19.426 -22.108 8.836 1.00 0.00 C ATOM 1740 O HIS A 110 18.283 -21.746 8.559 1.00 0.00 O ATOM 1741 CB HIS A 110 21.471 -21.266 7.657 1.00 0.00 C ATOM 1742 CG HIS A 110 22.588 -21.528 6.696 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.694 -22.281 7.030 1.00 0.00 N ATOM 1744 CD2 HIS A 110 22.771 -21.140 5.412 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.509 -22.344 5.991 1.00 0.00 C ATOM 1746 NE2 HIS A 110 23.972 -21.660 4.998 1.00 0.00 N ATOM 0 H HIS A 110 19.184 -21.826 6.148 1.00 0.00 H new ATOM 0 HA HIS A 110 20.961 -23.329 7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.962 -20.347 7.366 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.889 -21.098 8.649 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.857 -22.720 7.936 1.00 0.00 H new ATOM 0 HD2 HIS A 110 22.098 -20.534 4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.454 -22.866 5.960 1.00 0.00 H new ATOM 1751 N HIS A 111 19.864 -22.246 10.082 1.00 0.00 N ATOM 1752 CA HIS A 111 19.000 -22.011 11.243 1.00 0.00 C ATOM 1753 C HIS A 111 19.618 -20.932 12.164 1.00 0.00 C ATOM 1754 O HIS A 111 19.356 -19.733 11.937 1.00 0.00 O ATOM 1755 CB HIS A 111 18.772 -23.311 12.021 1.00 0.00 C ATOM 1756 CG HIS A 111 18.107 -24.384 11.218 1.00 0.00 C ATOM 1757 ND1 HIS A 111 16.736 -24.522 11.152 1.00 0.00 N ATOM 1758 CD2 HIS A 111 18.621 -25.371 10.446 1.00 0.00 C ATOM 1759 CE1 HIS A 111 16.436 -25.547 10.374 1.00 0.00 C ATOM 1760 NE2 HIS A 111 17.562 -26.079 9.935 1.00 0.00 N ATOM 1761 OXT HIS A 111 20.396 -21.284 13.075 1.00 0.00 O ATOM 0 H HIS A 111 20.817 -22.521 10.320 1.00 0.00 H new ATOM 0 HA HIS A 111 18.035 -21.653 10.885 1.00 0.00 H new ATOM 0 HB2 HIS A 111 19.732 -23.681 12.381 1.00 0.00 H new ATOM 0 HB3 HIS A 111 18.163 -23.096 12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.668 -25.565 10.266 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.440 -25.891 10.138 1.00 0.00 H new ATOM 0 HE2 HIS A 111 17.633 -26.886 9.316 1.00 0.00 H new TER 1766 HIS A 111