USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=35 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= 0.422 K(o=0.48,f=-6.1!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0536 K(o=0.48,f=-3) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.13 K(o=0.24,f=-2.4) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.11 K(o=0.24,f=-1.7) USER MOD Set 3.1: A 39 THR OG1 : rot 58:sc= -0.734 USER MOD Set 3.2: A 83 HIS : no HD1:sc= 0.901 K(o=0.17,f=-5.9!) USER MOD Set 4.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 61 GLN : amide:sc=-0.00579 X(o=-0.0058,f=-0.088) USER MOD Set 5.1: A 54 ASN : amide:sc= -0.194 K(o=-0.25,f=-8.2!) USER MOD Set 5.2: A 56 THR OG1 : rot 160:sc= -0.0525 USER MOD Set 6.1: A 49 TYR OH : rot -147:sc= 0.914 USER MOD Set 6.2: A 106 HIS : no HE2:sc= 0.139 K(o=1.1,f=-0.13) USER MOD Set 7.1: A 20 MET CE :methyl 178:sc= 0 (180deg=-0.0049) USER MOD Set 7.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 11 GLN : amide:sc= 1.09 K(o=2.1,f=-0.63) USER MOD Set 8.2: A 19 TYR OH : rot 102:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0599 (180deg=-0.223) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0434 (180deg=-0.196) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 172:sc= -0.12 (180deg=-0.276) USER MOD Single : A 5 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.1) USER MOD Single : A 6 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.917 (180deg=0.916) USER MOD Single : A 9 ASN : amide:sc= -0.876 K(o=-0.88,f=-3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 17 SER OG : rot 80:sc= 0.802 USER MOD Single : A 21 SER OG : rot -20:sc= 0.813 USER MOD Single : A 22 GLN : amide:sc= 0.0986 K(o=0.099,f=-6.2!) USER MOD Single : A 24 TYR OH : rot 3:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= -0.126 K(o=-0.13,f=-1) USER MOD Single : A 34 THR OG1 : rot 43:sc= 1.19 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 61:sc= 0.883 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -51:sc= 0.683 USER MOD Single : A 62 CYS SG : rot -80:sc= -1.13 USER MOD Single : A 66 THR OG1 : rot -103:sc= 0.658 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 15:sc= -0.212 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 88 CYS SG : rot -120:sc= -0.165 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.957 (180deg=0.902) 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= 0.264 K(o=0.26,f=-3.8!) USER MOD Single : A 98 MET CE :methyl -171:sc= -0.884 (180deg=-1.01) USER MOD Single : A 107 HIS : no HE2:sc= 0.52 K(o=0.52,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.634 -2.339 0.284 1.00 0.00 N ATOM 2 CA MET A 1 -0.246 -3.781 0.269 1.00 0.00 C ATOM 3 C MET A 1 -1.343 -4.657 -0.366 1.00 0.00 C ATOM 4 O MET A 1 -1.056 -5.712 -0.933 1.00 0.00 O ATOM 5 CB MET A 1 0.050 -4.266 1.686 1.00 0.00 C ATOM 6 CG MET A 1 1.259 -3.608 2.336 1.00 0.00 C ATOM 7 SD MET A 1 2.776 -3.851 1.392 1.00 0.00 S ATOM 8 CE MET A 1 3.035 -5.609 1.613 1.00 0.00 C ATOM 0 H1 MET A 1 0.182 -1.763 0.575 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.939 -2.052 -0.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.415 -2.197 0.955 1.00 0.00 H new ATOM 0 HA MET A 1 0.654 -3.873 -0.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.826 -4.085 2.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.207 -5.344 1.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.071 -2.540 2.445 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.392 -4.012 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.008 -5.887 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.001 -5.851 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.254 -6.160 1.090 1.00 0.00 H new ATOM 20 N SER A 2 -2.594 -4.207 -0.276 1.00 0.00 N ATOM 21 CA SER A 2 -3.756 -4.980 -0.758 1.00 0.00 C ATOM 22 C SER A 2 -3.692 -5.277 -2.267 1.00 0.00 C ATOM 23 O SER A 2 -4.351 -6.203 -2.751 1.00 0.00 O ATOM 24 CB SER A 2 -5.036 -4.235 -0.432 1.00 0.00 C ATOM 25 OG SER A 2 -5.140 -3.031 -1.141 1.00 0.00 O ATOM 0 H SER A 2 -2.838 -3.303 0.129 1.00 0.00 H new ATOM 0 HA SER A 2 -3.738 -5.941 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.893 -4.868 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.073 -4.030 0.638 1.00 0.00 H new ATOM 0 HG SER A 2 -5.979 -2.583 -0.904 1.00 0.00 H new ATOM 31 N TRP A 3 -2.919 -4.488 -3.012 1.00 0.00 N ATOM 32 CA TRP A 3 -2.713 -4.745 -4.445 1.00 0.00 C ATOM 33 C TRP A 3 -2.198 -6.169 -4.720 1.00 0.00 C ATOM 34 O TRP A 3 -2.485 -6.744 -5.773 1.00 0.00 O ATOM 35 CB TRP A 3 -1.735 -3.721 -5.025 1.00 0.00 C ATOM 36 CG TRP A 3 -0.343 -3.851 -4.485 1.00 0.00 C ATOM 37 CD1 TRP A 3 0.160 -3.243 -3.375 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.723 -4.638 -5.031 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.474 -3.599 -3.193 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.842 -4.458 -4.198 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.838 -5.479 -6.144 1.00 0.00 C ATOM 42 CZ2 TRP A 3 3.056 -5.081 -4.441 1.00 0.00 C ATOM 43 CZ3 TRP A 3 2.055 -6.106 -6.386 1.00 0.00 C ATOM 44 CH2 TRP A 3 3.132 -5.912 -5.558 1.00 0.00 C ATOM 0 H TRP A 3 -2.426 -3.670 -2.654 1.00 0.00 H new ATOM 0 HA TRP A 3 -3.684 -4.650 -4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.707 -3.830 -6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.105 -2.717 -4.815 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -0.394 -2.577 -2.731 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.077 -3.278 -2.436 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.003 -5.638 -6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.907 -4.929 -3.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.155 -6.758 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 3 4.062 -6.416 -5.777 1.00 0.00 H new ATOM 55 N MET A 4 -1.458 -6.745 -3.772 1.00 0.00 N ATOM 56 CA MET A 4 -0.881 -8.080 -3.969 1.00 0.00 C ATOM 57 C MET A 4 -2.005 -9.112 -4.173 1.00 0.00 C ATOM 58 O MET A 4 -2.000 -9.878 -5.144 1.00 0.00 O ATOM 59 CB MET A 4 -0.006 -8.466 -2.778 1.00 0.00 C ATOM 60 CG MET A 4 1.286 -7.672 -2.663 1.00 0.00 C ATOM 61 SD MET A 4 2.198 -8.044 -1.151 1.00 0.00 S ATOM 62 CE MET A 4 2.671 -9.744 -1.451 1.00 0.00 C ATOM 0 H MET A 4 -1.245 -6.317 -2.871 1.00 0.00 H new ATOM 0 HA MET A 4 -0.253 -8.065 -4.860 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.582 -8.334 -1.862 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.239 -9.526 -2.851 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.917 -7.886 -3.525 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.057 -6.607 -2.692 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.360 -10.073 -0.673 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.783 -10.376 -1.440 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.158 -9.820 -2.423 1.00 0.00 H new ATOM 72 N GLN A 5 -2.959 -9.135 -3.236 1.00 0.00 N ATOM 73 CA GLN A 5 -4.177 -9.940 -3.380 1.00 0.00 C ATOM 74 C GLN A 5 -4.943 -9.569 -4.657 1.00 0.00 C ATOM 75 O GLN A 5 -5.336 -10.440 -5.426 1.00 0.00 O ATOM 76 CB GLN A 5 -5.104 -9.743 -2.164 1.00 0.00 C ATOM 77 CG GLN A 5 -4.757 -10.615 -0.968 1.00 0.00 C ATOM 78 CD GLN A 5 -5.652 -10.362 0.240 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.443 -9.424 0.260 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.554 -11.210 1.244 1.00 0.00 N ATOM 0 H GLN A 5 -2.911 -8.603 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.870 -10.984 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.068 -8.697 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.130 -9.952 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.835 -11.663 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.719 -10.438 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.887 -11.980 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.145 -11.096 2.067 1.00 0.00 H new ATOM 89 N ASN A 6 -5.125 -8.263 -4.873 1.00 0.00 N ATOM 90 CA ASN A 6 -5.913 -7.740 -6.005 1.00 0.00 C ATOM 91 C ASN A 6 -5.449 -8.311 -7.356 1.00 0.00 C ATOM 92 O ASN A 6 -6.231 -8.396 -8.304 1.00 0.00 O ATOM 93 CB ASN A 6 -5.872 -6.223 -6.043 1.00 0.00 C ATOM 94 CG ASN A 6 -6.694 -5.568 -4.969 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.576 -6.191 -4.367 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.467 -4.293 -4.783 1.00 0.00 N ATOM 0 H ASN A 6 -4.734 -7.537 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.941 -8.066 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.837 -5.894 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.226 -5.883 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.031 -3.767 -4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.726 -3.825 -5.306 1.00 0.00 H new ATOM 103 N LEU A 7 -4.180 -8.694 -7.440 1.00 0.00 N ATOM 104 CA LEU A 7 -3.646 -9.320 -8.655 1.00 0.00 C ATOM 105 C LEU A 7 -3.715 -10.854 -8.565 1.00 0.00 C ATOM 106 O LEU A 7 -4.374 -11.508 -9.371 1.00 0.00 O ATOM 107 CB LEU A 7 -2.202 -8.862 -8.895 1.00 0.00 C ATOM 108 CG LEU A 7 -2.027 -7.359 -9.151 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.548 -7.015 -9.250 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.759 -6.971 -10.426 1.00 0.00 C ATOM 0 H LEU A 7 -3.500 -8.585 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.261 -9.006 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.601 -9.139 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.802 -9.409 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.452 -6.797 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.434 -5.946 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.050 -7.279 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.099 -7.573 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.634 -5.903 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.349 -7.532 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.820 -7.199 -10.321 1.00 0.00 H new ATOM 122 N LYS A 8 -3.045 -11.410 -7.553 1.00 0.00 N ATOM 123 CA LYS A 8 -2.827 -12.861 -7.432 1.00 0.00 C ATOM 124 C LYS A 8 -4.123 -13.659 -7.105 1.00 0.00 C ATOM 125 O LYS A 8 -4.122 -14.889 -7.166 1.00 0.00 O ATOM 126 CB LYS A 8 -1.767 -13.129 -6.363 1.00 0.00 C ATOM 127 CG LYS A 8 -2.265 -12.977 -4.931 1.00 0.00 C ATOM 128 CD LYS A 8 -1.129 -13.123 -3.931 1.00 0.00 C ATOM 129 CE LYS A 8 -1.558 -12.692 -2.537 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.554 -13.627 -1.947 1.00 0.00 N ATOM 0 H LYS A 8 -2.636 -10.869 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.488 -13.212 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.382 -14.140 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.931 -12.447 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.736 -12.001 -4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.029 -13.727 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.795 -14.160 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.279 -12.522 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.683 -12.638 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.984 -11.690 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.807 -13.306 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.406 -13.647 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.145 -14.582 -1.895 1.00 0.00 H new ATOM 144 N ASN A 9 -5.219 -12.975 -6.751 1.00 0.00 N ATOM 145 CA ASN A 9 -6.471 -13.660 -6.374 1.00 0.00 C ATOM 146 C ASN A 9 -7.061 -14.449 -7.551 1.00 0.00 C ATOM 147 O ASN A 9 -7.783 -15.426 -7.356 1.00 0.00 O ATOM 148 CB ASN A 9 -7.500 -12.682 -5.836 1.00 0.00 C ATOM 149 CG ASN A 9 -7.255 -12.269 -4.411 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.484 -12.904 -3.682 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.967 -11.257 -3.987 1.00 0.00 N ATOM 0 H ASN A 9 -5.269 -11.957 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.217 -14.365 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.507 -11.793 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.490 -13.133 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.900 -10.959 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.589 -10.766 -4.630 1.00 0.00 H new ATOM 158 N TYR A 10 -6.758 -14.008 -8.769 1.00 0.00 N ATOM 159 CA TYR A 10 -7.357 -14.587 -9.975 1.00 0.00 C ATOM 160 C TYR A 10 -6.414 -14.498 -11.181 1.00 0.00 C ATOM 161 O TYR A 10 -5.490 -13.682 -11.209 1.00 0.00 O ATOM 162 CB TYR A 10 -8.681 -13.889 -10.297 1.00 0.00 C ATOM 163 CG TYR A 10 -8.556 -12.393 -10.480 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.258 -11.848 -11.720 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.739 -11.528 -9.410 1.00 0.00 C ATOM 166 CE1 TYR A 10 -8.143 -10.482 -11.892 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.627 -10.162 -9.570 1.00 0.00 C ATOM 168 CZ TYR A 10 -8.328 -9.642 -10.814 1.00 0.00 C ATOM 169 OH TYR A 10 -8.216 -8.280 -10.979 1.00 0.00 O ATOM 0 H TYR A 10 -6.100 -13.250 -8.950 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.541 -15.642 -9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.098 -14.323 -11.206 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.391 -14.089 -9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.113 -12.503 -12.566 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.973 -11.931 -8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.910 -10.075 -12.865 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.772 -9.503 -8.727 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.376 -7.832 -10.122 1.00 0.00 H new ATOM 179 N GLN A 11 -6.663 -15.339 -12.181 1.00 0.00 N ATOM 180 CA GLN A 11 -5.904 -15.300 -13.430 1.00 0.00 C ATOM 181 C GLN A 11 -6.759 -14.726 -14.572 1.00 0.00 C ATOM 182 O GLN A 11 -7.468 -15.461 -15.263 1.00 0.00 O ATOM 183 CB GLN A 11 -5.411 -16.702 -13.800 1.00 0.00 C ATOM 184 CG GLN A 11 -4.596 -16.758 -15.081 1.00 0.00 C ATOM 185 CD GLN A 11 -3.421 -15.799 -15.061 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.669 -15.736 -14.084 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.259 -15.042 -16.139 1.00 0.00 N ATOM 0 H GLN A 11 -7.386 -16.058 -12.152 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.042 -14.649 -13.281 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.806 -17.090 -12.981 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.272 -17.363 -13.901 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.230 -17.774 -15.231 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.240 -16.522 -15.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.905 -15.127 -16.924 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.489 -14.375 -16.183 1.00 0.00 H new ATOM 196 N HIS A 12 -6.716 -13.406 -14.757 1.00 0.00 N ATOM 197 CA HIS A 12 -7.400 -12.773 -15.894 1.00 0.00 C ATOM 198 C HIS A 12 -6.424 -12.276 -16.976 1.00 0.00 C ATOM 199 O HIS A 12 -6.675 -12.461 -18.165 1.00 0.00 O ATOM 200 CB HIS A 12 -8.265 -11.606 -15.408 1.00 0.00 C ATOM 201 CG HIS A 12 -9.047 -10.942 -16.497 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.052 -11.584 -17.190 1.00 0.00 N ATOM 203 CD2 HIS A 12 -8.972 -9.694 -17.016 1.00 0.00 C ATOM 204 CE1 HIS A 12 -10.562 -10.759 -18.086 1.00 0.00 C ATOM 205 NE2 HIS A 12 -9.924 -9.605 -18.001 1.00 0.00 N ATOM 0 H HIS A 12 -6.222 -12.758 -14.144 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.027 -13.540 -16.349 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.955 -11.970 -14.647 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.624 -10.865 -14.929 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.290 -8.914 -16.712 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.364 -10.988 -18.772 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.109 -8.782 -18.574 1.00 0.00 H new ATOM 210 N LEU A 13 -5.314 -11.660 -16.581 1.00 0.00 N ATOM 211 CA LEU A 13 -4.353 -11.142 -17.561 1.00 0.00 C ATOM 212 C LEU A 13 -2.990 -11.851 -17.439 1.00 0.00 C ATOM 213 O LEU A 13 -2.686 -12.444 -16.405 1.00 0.00 O ATOM 214 CB LEU A 13 -4.185 -9.628 -17.386 1.00 0.00 C ATOM 215 CG LEU A 13 -5.473 -8.807 -17.539 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.199 -7.342 -17.226 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.010 -8.964 -18.954 1.00 0.00 C ATOM 0 H LEU A 13 -5.056 -11.507 -15.606 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.745 -11.344 -18.558 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.766 -9.437 -16.398 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.457 -9.272 -18.115 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.222 -9.171 -16.836 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.119 -6.768 -17.337 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.836 -7.250 -16.202 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.446 -6.958 -17.914 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.925 -8.381 -19.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.266 -8.609 -19.667 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.225 -10.015 -19.147 1.00 0.00 H new ATOM 229 N ARG A 14 -2.185 -11.813 -18.501 1.00 0.00 N ATOM 230 CA ARG A 14 -0.844 -12.418 -18.482 1.00 0.00 C ATOM 231 C ARG A 14 0.196 -11.547 -17.756 1.00 0.00 C ATOM 232 O ARG A 14 1.389 -11.850 -17.806 1.00 0.00 O ATOM 233 CB ARG A 14 -0.374 -12.779 -19.884 1.00 0.00 C ATOM 234 CG ARG A 14 -1.162 -13.890 -20.558 1.00 0.00 C ATOM 235 CD ARG A 14 -0.716 -14.208 -21.938 1.00 0.00 C ATOM 236 NE ARG A 14 -1.531 -15.199 -22.622 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.306 -15.641 -23.875 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.319 -15.160 -24.597 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.122 -16.557 -24.368 1.00 0.00 N ATOM 0 H ARG A 14 -2.434 -11.371 -19.386 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.935 -13.339 -17.907 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.424 -11.887 -20.509 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.674 -13.075 -19.835 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.090 -14.791 -19.949 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.214 -13.607 -20.585 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.713 -13.290 -22.526 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.313 -14.566 -21.900 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.329 -15.587 -22.118 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.292 -14.440 -24.211 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.164 -15.507 -25.544 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.895 -16.909 -23.803 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.979 -16.912 -25.313 1.00 0.00 H new ATOM 253 N ASP A 15 -0.237 -10.491 -17.069 1.00 0.00 N ATOM 254 CA ASP A 15 0.710 -9.589 -16.389 1.00 0.00 C ATOM 255 C ASP A 15 1.551 -10.313 -15.321 1.00 0.00 C ATOM 256 O ASP A 15 1.017 -10.814 -14.337 1.00 0.00 O ATOM 257 CB ASP A 15 -0.042 -8.420 -15.749 1.00 0.00 C ATOM 258 CG ASP A 15 0.857 -7.336 -15.166 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.039 -7.562 -15.070 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.383 -6.243 -14.970 1.00 0.00 O ATOM 0 H ASP A 15 -1.219 -10.236 -16.965 1.00 0.00 H new ATOM 0 HA ASP A 15 1.397 -9.217 -17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.694 -7.970 -16.498 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.684 -8.807 -14.958 1.00 0.00 H new ATOM 265 N PRO A 16 2.897 -10.324 -15.474 1.00 0.00 N ATOM 266 CA PRO A 16 3.805 -10.958 -14.497 1.00 0.00 C ATOM 267 C PRO A 16 3.603 -10.425 -13.069 1.00 0.00 C ATOM 268 O PRO A 16 3.934 -11.096 -12.090 1.00 0.00 O ATOM 269 CB PRO A 16 5.203 -10.634 -15.031 1.00 0.00 C ATOM 270 CG PRO A 16 5.011 -10.469 -16.500 1.00 0.00 C ATOM 271 CD PRO A 16 3.663 -9.815 -16.655 1.00 0.00 C ATOM 0 HA PRO A 16 3.624 -12.029 -14.409 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.601 -9.726 -14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.908 -11.435 -14.810 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.799 -9.853 -16.933 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.042 -11.431 -17.011 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.740 -8.728 -16.647 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.186 -10.094 -17.595 1.00 0.00 H new ATOM 279 N SER A 17 3.055 -9.212 -12.962 1.00 0.00 N ATOM 280 CA SER A 17 2.823 -8.564 -11.662 1.00 0.00 C ATOM 281 C SER A 17 2.006 -9.458 -10.714 1.00 0.00 C ATOM 282 O SER A 17 2.210 -9.433 -9.502 1.00 0.00 O ATOM 283 CB SER A 17 2.120 -7.236 -11.866 1.00 0.00 C ATOM 284 OG SER A 17 2.873 -6.358 -12.655 1.00 0.00 O ATOM 0 H SER A 17 2.761 -8.653 -13.763 1.00 0.00 H new ATOM 0 HA SER A 17 3.794 -8.395 -11.196 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.152 -7.407 -12.337 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.926 -6.776 -10.897 1.00 0.00 H new ATOM 0 HG SER A 17 2.762 -6.591 -13.600 1.00 0.00 H new ATOM 290 N GLU A 18 1.088 -10.251 -11.269 1.00 0.00 N ATOM 291 CA GLU A 18 0.284 -11.183 -10.467 1.00 0.00 C ATOM 292 C GLU A 18 1.196 -12.217 -9.765 1.00 0.00 C ATOM 293 O GLU A 18 0.928 -12.651 -8.637 1.00 0.00 O ATOM 294 CB GLU A 18 -0.751 -11.890 -11.344 1.00 0.00 C ATOM 295 CG GLU A 18 -1.828 -10.973 -11.908 1.00 0.00 C ATOM 296 CD GLU A 18 -2.689 -11.694 -12.908 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.418 -12.838 -13.183 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.685 -11.140 -13.313 1.00 0.00 O ATOM 0 H GLU A 18 0.881 -10.269 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.245 -10.613 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.236 -12.378 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.229 -12.676 -10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.449 -10.595 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.362 -10.109 -12.382 1.00 0.00 H new ATOM 305 N TYR A 19 2.303 -12.568 -10.419 1.00 0.00 N ATOM 306 CA TYR A 19 3.226 -13.587 -9.900 1.00 0.00 C ATOM 307 C TYR A 19 4.383 -12.941 -9.124 1.00 0.00 C ATOM 308 O TYR A 19 5.031 -13.581 -8.300 1.00 0.00 O ATOM 309 CB TYR A 19 3.796 -14.425 -11.044 1.00 0.00 C ATOM 310 CG TYR A 19 2.746 -15.037 -11.952 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.214 -16.294 -11.691 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.305 -14.363 -13.083 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.281 -16.862 -12.536 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.367 -14.924 -13.927 1.00 0.00 C ATOM 315 CZ TYR A 19 0.860 -16.173 -13.652 1.00 0.00 C ATOM 316 OH TYR A 19 -0.067 -16.738 -14.500 1.00 0.00 O ATOM 0 H TYR A 19 2.586 -12.163 -11.311 1.00 0.00 H new ATOM 0 HA TYR A 19 2.661 -14.229 -9.224 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.457 -13.799 -11.643 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.407 -15.224 -10.624 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.535 -16.835 -10.813 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.702 -13.384 -13.306 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.883 -17.843 -12.323 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.032 -14.384 -14.800 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.949 -16.348 -14.327 1.00 0.00 H new ATOM 326 N MET A 20 4.645 -11.668 -9.400 1.00 0.00 N ATOM 327 CA MET A 20 5.590 -10.886 -8.596 1.00 0.00 C ATOM 328 C MET A 20 4.963 -10.535 -7.235 1.00 0.00 C ATOM 329 O MET A 20 5.661 -10.326 -6.245 1.00 0.00 O ATOM 330 CB MET A 20 6.001 -9.618 -9.342 1.00 0.00 C ATOM 331 CG MET A 20 6.846 -9.864 -10.584 1.00 0.00 C ATOM 332 SD MET A 20 7.237 -8.343 -11.472 1.00 0.00 S ATOM 333 CE MET A 20 8.205 -8.986 -12.834 1.00 0.00 C ATOM 0 H MET A 20 4.220 -11.153 -10.171 1.00 0.00 H new ATOM 0 HA MET A 20 6.484 -11.485 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.102 -9.074 -9.631 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.558 -8.975 -8.661 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.773 -10.360 -10.296 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.315 -10.543 -11.251 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.492 -8.168 -13.495 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.101 -9.471 -12.447 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.612 -9.712 -13.391 1.00 0.00 H new ATOM 343 N SER A 21 3.632 -10.466 -7.210 1.00 0.00 N ATOM 344 CA SER A 21 2.874 -10.306 -5.963 1.00 0.00 C ATOM 345 C SER A 21 2.746 -11.649 -5.228 1.00 0.00 C ATOM 346 O SER A 21 2.649 -11.684 -4.003 1.00 0.00 O ATOM 347 CB SER A 21 1.503 -9.727 -6.252 1.00 0.00 C ATOM 348 OG SER A 21 0.705 -10.607 -6.994 1.00 0.00 O ATOM 0 H SER A 21 3.050 -10.519 -8.046 1.00 0.00 H new ATOM 0 HA SER A 21 3.416 -9.615 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.004 -9.491 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.613 -8.790 -6.798 1.00 0.00 H new ATOM 0 HG SER A 21 1.275 -11.266 -7.443 1.00 0.00 H new ATOM 354 N GLN A 22 2.725 -12.749 -5.990 1.00 0.00 N ATOM 355 CA GLN A 22 2.834 -14.102 -5.415 1.00 0.00 C ATOM 356 C GLN A 22 4.164 -14.281 -4.660 1.00 0.00 C ATOM 357 O GLN A 22 4.187 -14.560 -3.458 1.00 0.00 O ATOM 358 CB GLN A 22 2.715 -15.164 -6.511 1.00 0.00 C ATOM 359 CG GLN A 22 2.831 -16.594 -6.010 1.00 0.00 C ATOM 360 CD GLN A 22 2.920 -17.599 -7.142 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.931 -17.229 -8.320 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.979 -18.878 -6.792 1.00 0.00 N ATOM 0 H GLN A 22 2.634 -12.733 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 22 2.015 -14.226 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.756 -15.044 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.490 -14.988 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.715 -16.684 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.968 -16.829 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.967 -19.138 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.036 -19.601 -7.509 1.00 0.00 H new ATOM 371 N VAL A 23 5.274 -14.122 -5.377 1.00 0.00 N ATOM 372 CA VAL A 23 6.604 -14.235 -4.776 1.00 0.00 C ATOM 373 C VAL A 23 7.477 -13.012 -5.107 1.00 0.00 C ATOM 374 O VAL A 23 7.863 -12.787 -6.253 1.00 0.00 O ATOM 375 CB VAL A 23 7.324 -15.513 -5.246 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.713 -15.597 -4.631 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.509 -16.746 -4.890 1.00 0.00 C ATOM 0 H VAL A 23 5.281 -13.914 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 23 6.458 -14.284 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 23 7.428 -15.471 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.208 -16.506 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.298 -14.729 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.629 -15.617 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.033 -17.639 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.374 -16.793 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.535 -16.691 -5.375 1.00 0.00 H new ATOM 387 N TYR A 24 7.788 -12.228 -4.078 1.00 0.00 N ATOM 388 CA TYR A 24 8.604 -11.015 -4.230 1.00 0.00 C ATOM 389 C TYR A 24 10.104 -11.348 -4.368 1.00 0.00 C ATOM 390 O TYR A 24 10.912 -10.475 -4.695 1.00 0.00 O ATOM 391 CB TYR A 24 8.382 -10.077 -3.041 1.00 0.00 C ATOM 392 CG TYR A 24 9.018 -10.557 -1.755 1.00 0.00 C ATOM 393 CD1 TYR A 24 10.348 -10.282 -1.471 1.00 0.00 C ATOM 394 CD2 TYR A 24 8.284 -11.281 -0.827 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.932 -10.719 -0.298 1.00 0.00 C ATOM 396 CE2 TYR A 24 8.859 -11.722 0.350 1.00 0.00 C ATOM 397 CZ TYR A 24 10.184 -11.438 0.610 1.00 0.00 C ATOM 398 OH TYR A 24 10.760 -11.874 1.781 1.00 0.00 O ATOM 0 H TYR A 24 7.487 -12.409 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 24 8.288 -10.518 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.781 -9.093 -3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.311 -9.955 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.936 -9.717 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.246 -11.504 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.969 -10.499 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.275 -12.286 1.062 1.00 0.00 H new ATOM 0 HH TYR A 24 11.684 -11.552 1.831 1.00 0.00 H new ATOM 408 N GLY A 25 10.471 -12.607 -4.131 1.00 0.00 N ATOM 409 CA GLY A 25 11.881 -12.996 -4.125 1.00 0.00 C ATOM 410 C GLY A 25 12.406 -13.535 -5.455 1.00 0.00 C ATOM 411 O GLY A 25 12.096 -13.003 -6.523 1.00 0.00 O ATOM 0 H GLY A 25 9.819 -13.368 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.480 -12.132 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.030 -13.756 -3.358 1.00 0.00 H new ATOM 415 N ASP A 26 13.217 -14.593 -5.377 1.00 0.00 N ATOM 416 CA ASP A 26 13.924 -15.149 -6.537 1.00 0.00 C ATOM 417 C ASP A 26 13.059 -15.177 -7.817 1.00 0.00 C ATOM 418 O ASP A 26 11.961 -15.737 -7.830 1.00 0.00 O ATOM 419 CB ASP A 26 14.419 -16.561 -6.216 1.00 0.00 C ATOM 420 CG ASP A 26 15.642 -16.609 -5.310 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.328 -15.619 -5.218 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.792 -17.574 -4.599 1.00 0.00 O ATOM 0 H ASP A 26 13.403 -15.090 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 26 14.768 -14.489 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.610 -17.118 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.654 -17.071 -7.150 1.00 0.00 H new ATOM 427 N PRO A 27 13.568 -14.566 -8.915 1.00 0.00 N ATOM 428 CA PRO A 27 12.858 -14.491 -10.211 1.00 0.00 C ATOM 429 C PRO A 27 12.404 -15.853 -10.761 1.00 0.00 C ATOM 430 O PRO A 27 11.280 -15.985 -11.247 1.00 0.00 O ATOM 431 CB PRO A 27 13.881 -13.827 -11.138 1.00 0.00 C ATOM 432 CG PRO A 27 14.718 -12.992 -10.231 1.00 0.00 C ATOM 433 CD PRO A 27 14.851 -13.791 -8.963 1.00 0.00 C ATOM 0 HA PRO A 27 11.923 -13.939 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.483 -14.570 -11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 27 13.392 -13.219 -11.899 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.694 -12.790 -10.672 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.248 -12.027 -10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.719 -14.449 -8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.966 -13.147 -8.091 1.00 0.00 H new ATOM 441 N LEU A 28 13.282 -16.855 -10.673 1.00 0.00 N ATOM 442 CA LEU A 28 13.069 -18.158 -11.328 1.00 0.00 C ATOM 443 C LEU A 28 11.758 -18.818 -10.864 1.00 0.00 C ATOM 444 O LEU A 28 11.009 -19.364 -11.677 1.00 0.00 O ATOM 445 CB LEU A 28 14.258 -19.088 -11.051 1.00 0.00 C ATOM 446 CG LEU A 28 14.111 -20.514 -11.596 1.00 0.00 C ATOM 447 CD1 LEU A 28 13.956 -20.481 -13.111 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.326 -21.338 -11.196 1.00 0.00 C ATOM 0 H LEU A 28 14.156 -16.792 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 28 12.991 -17.983 -12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.155 -18.642 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.413 -19.142 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 28 13.219 -20.975 -11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.852 -21.498 -13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.069 -19.904 -13.374 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.836 -20.017 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.222 -22.352 -11.583 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.226 -20.883 -11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.402 -21.371 -10.109 1.00 0.00 H new ATOM 460 N ALA A 29 11.479 -18.735 -9.566 1.00 0.00 N ATOM 461 CA ALA A 29 10.297 -19.369 -8.978 1.00 0.00 C ATOM 462 C ALA A 29 8.988 -18.913 -9.659 1.00 0.00 C ATOM 463 O ALA A 29 8.325 -19.701 -10.337 1.00 0.00 O ATOM 464 CB ALA A 29 10.248 -19.090 -7.480 1.00 0.00 C ATOM 0 H ALA A 29 12.059 -18.231 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 29 10.383 -20.443 -9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.366 -19.565 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.144 -19.491 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.199 -18.014 -7.312 1.00 0.00 H new ATOM 470 N TYR A 30 8.637 -17.636 -9.500 1.00 0.00 N ATOM 471 CA TYR A 30 7.389 -17.110 -10.071 1.00 0.00 C ATOM 472 C TYR A 30 7.487 -16.910 -11.594 1.00 0.00 C ATOM 473 O TYR A 30 6.474 -16.717 -12.263 1.00 0.00 O ATOM 474 CB TYR A 30 7.016 -15.789 -9.396 1.00 0.00 C ATOM 475 CG TYR A 30 7.938 -14.641 -9.742 1.00 0.00 C ATOM 476 CD1 TYR A 30 7.837 -13.987 -10.960 1.00 0.00 C ATOM 477 CD2 TYR A 30 8.907 -14.214 -8.846 1.00 0.00 C ATOM 478 CE1 TYR A 30 8.679 -12.939 -11.282 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.754 -13.166 -9.156 1.00 0.00 C ATOM 480 CZ TYR A 30 9.636 -12.531 -10.376 1.00 0.00 C ATOM 481 OH TYR A 30 10.475 -11.487 -10.689 1.00 0.00 O ATOM 0 H TYR A 30 9.191 -16.950 -8.987 1.00 0.00 H new ATOM 0 HA TYR A 30 6.610 -17.850 -9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.998 -15.522 -9.680 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.019 -15.931 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.087 -14.302 -11.670 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.001 -14.708 -7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.588 -12.443 -12.237 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.504 -12.846 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 30 11.089 -11.326 -9.942 1.00 0.00 H new ATOM 491 N LEU A 31 8.704 -16.953 -12.138 1.00 0.00 N ATOM 492 CA LEU A 31 8.896 -16.997 -13.595 1.00 0.00 C ATOM 493 C LEU A 31 8.336 -18.300 -14.190 1.00 0.00 C ATOM 494 O LEU A 31 7.595 -18.283 -15.181 1.00 0.00 O ATOM 495 CB LEU A 31 10.383 -16.847 -13.939 1.00 0.00 C ATOM 496 CG LEU A 31 10.722 -16.953 -15.431 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.017 -15.848 -16.206 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.230 -16.864 -15.617 1.00 0.00 C ATOM 0 H LEU A 31 9.569 -16.958 -11.598 1.00 0.00 H new ATOM 0 HA LEU A 31 8.347 -16.165 -14.034 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.729 -15.881 -13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.943 -17.611 -13.400 1.00 0.00 H new ATOM 0 HG LEU A 31 10.377 -17.913 -15.815 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.264 -15.931 -17.264 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.939 -15.943 -16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.343 -14.877 -15.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.471 -16.939 -16.677 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.589 -15.910 -15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.712 -17.679 -15.077 1.00 0.00 H new ATOM 510 N GLN A 32 8.679 -19.430 -13.569 1.00 0.00 N ATOM 511 CA GLN A 32 8.127 -20.722 -13.979 1.00 0.00 C ATOM 512 C GLN A 32 6.612 -20.776 -13.747 1.00 0.00 C ATOM 513 O GLN A 32 5.885 -21.364 -14.542 1.00 0.00 O ATOM 514 CB GLN A 32 8.810 -21.860 -13.215 1.00 0.00 C ATOM 515 CG GLN A 32 10.265 -22.081 -13.594 1.00 0.00 C ATOM 516 CD GLN A 32 10.430 -22.464 -15.052 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.704 -23.318 -15.570 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.391 -21.840 -15.723 1.00 0.00 N ATOM 0 H GLN A 32 9.331 -19.477 -12.786 1.00 0.00 H new ATOM 0 HA GLN A 32 8.316 -20.842 -15.046 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.752 -21.651 -12.147 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.257 -22.783 -13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.832 -21.172 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.687 -22.865 -12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.968 -21.141 -15.256 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.552 -22.060 -16.706 1.00 0.00 H new ATOM 527 N GLU A 33 6.139 -20.148 -12.671 1.00 0.00 N ATOM 528 CA GLU A 33 4.695 -20.028 -12.426 1.00 0.00 C ATOM 529 C GLU A 33 4.030 -19.112 -13.475 1.00 0.00 C ATOM 530 O GLU A 33 2.904 -19.361 -13.908 1.00 0.00 O ATOM 531 CB GLU A 33 4.434 -19.495 -11.015 1.00 0.00 C ATOM 532 CG GLU A 33 3.040 -19.788 -10.479 1.00 0.00 C ATOM 533 CD GLU A 33 2.992 -21.119 -9.782 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.223 -22.114 -10.426 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.836 -21.135 -8.583 1.00 0.00 O ATOM 0 H GLU A 33 6.726 -19.716 -11.958 1.00 0.00 H new ATOM 0 HA GLU A 33 4.255 -21.021 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.169 -19.926 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.592 -18.416 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.742 -19.001 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.323 -19.779 -11.300 1.00 0.00 H new ATOM 542 N THR A 34 4.744 -18.068 -13.905 1.00 0.00 N ATOM 543 CA THR A 34 4.228 -17.139 -14.931 1.00 0.00 C ATOM 544 C THR A 34 3.994 -17.855 -16.269 1.00 0.00 C ATOM 545 O THR A 34 3.009 -17.595 -16.966 1.00 0.00 O ATOM 546 CB THR A 34 5.189 -15.957 -15.158 1.00 0.00 C ATOM 547 OG1 THR A 34 5.319 -15.204 -13.946 1.00 0.00 O ATOM 548 CG2 THR A 34 4.668 -15.051 -16.262 1.00 0.00 C ATOM 0 H THR A 34 5.678 -17.840 -13.564 1.00 0.00 H new ATOM 0 HA THR A 34 3.278 -16.760 -14.556 1.00 0.00 H new ATOM 0 HB THR A 34 6.161 -16.350 -15.455 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.407 -15.818 -13.187 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.360 -14.221 -16.409 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.581 -15.619 -17.188 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.689 -14.662 -15.982 1.00 0.00 H new ATOM 556 N THR A 35 4.911 -18.748 -16.627 1.00 0.00 N ATOM 557 CA THR A 35 4.888 -19.409 -17.943 1.00 0.00 C ATOM 558 C THR A 35 4.074 -20.722 -17.929 1.00 0.00 C ATOM 559 O THR A 35 3.558 -21.155 -18.965 1.00 0.00 O ATOM 560 CB THR A 35 6.316 -19.716 -18.435 1.00 0.00 C ATOM 561 OG1 THR A 35 6.964 -20.596 -17.509 1.00 0.00 O ATOM 562 CG2 THR A 35 7.124 -18.432 -18.560 1.00 0.00 C ATOM 0 H THR A 35 5.684 -19.036 -16.028 1.00 0.00 H new ATOM 0 HA THR A 35 4.404 -18.709 -18.624 1.00 0.00 H new ATOM 0 HB THR A 35 6.253 -20.191 -19.414 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.871 -20.791 -17.824 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.130 -18.667 -18.908 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.640 -17.765 -19.273 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.182 -17.943 -17.588 1.00 0.00 H new ATOM 570 N LYS A 36 3.940 -21.345 -16.758 1.00 0.00 N ATOM 571 CA LYS A 36 3.278 -22.654 -16.648 1.00 0.00 C ATOM 572 C LYS A 36 2.068 -22.641 -15.685 1.00 0.00 C ATOM 573 O LYS A 36 1.101 -23.383 -15.890 1.00 0.00 O ATOM 574 CB LYS A 36 4.287 -23.711 -16.197 1.00 0.00 C ATOM 575 CG LYS A 36 5.483 -23.876 -17.126 1.00 0.00 C ATOM 576 CD LYS A 36 5.057 -24.398 -18.489 1.00 0.00 C ATOM 577 CE LYS A 36 6.261 -24.699 -19.369 1.00 0.00 C ATOM 578 NZ LYS A 36 5.859 -25.166 -20.723 1.00 0.00 N ATOM 0 H LYS A 36 4.278 -20.969 -15.872 1.00 0.00 H new ATOM 0 HA LYS A 36 2.893 -22.897 -17.638 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.648 -23.450 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.776 -24.670 -16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.990 -22.918 -17.243 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.201 -24.564 -16.679 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.461 -25.302 -18.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.421 -23.662 -18.980 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.875 -23.803 -19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.878 -25.460 -18.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.709 -25.360 -21.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.295 -26.035 -20.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.292 -24.430 -21.190 1.00 0.00 H new ATOM 592 N PHE A 37 2.145 -21.819 -14.631 1.00 0.00 N ATOM 593 CA PHE A 37 1.085 -21.707 -13.601 1.00 0.00 C ATOM 594 C PHE A 37 0.992 -22.994 -12.743 1.00 0.00 C ATOM 595 O PHE A 37 0.000 -23.236 -12.047 1.00 0.00 O ATOM 596 CB PHE A 37 -0.267 -21.416 -14.257 1.00 0.00 C ATOM 597 CG PHE A 37 -1.288 -20.848 -13.313 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.306 -19.492 -13.022 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.232 -21.667 -12.713 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.245 -18.967 -12.155 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.172 -21.146 -11.846 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.179 -19.794 -11.567 1.00 0.00 C ATOM 0 H PHE A 37 2.944 -21.208 -14.461 1.00 0.00 H new ATOM 0 HA PHE A 37 1.349 -20.879 -12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.118 -20.717 -15.080 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.657 -22.338 -14.688 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.577 -18.839 -13.479 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.232 -22.726 -12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.248 -17.909 -11.938 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.902 -21.796 -11.386 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.914 -19.385 -10.890 1.00 0.00 H new ATOM 612 N VAL A 38 2.058 -23.797 -12.774 1.00 0.00 N ATOM 613 CA VAL A 38 2.127 -25.067 -12.034 1.00 0.00 C ATOM 614 C VAL A 38 3.559 -25.343 -11.532 1.00 0.00 C ATOM 615 O VAL A 38 4.484 -24.585 -11.817 1.00 0.00 O ATOM 616 CB VAL A 38 1.659 -26.250 -12.903 1.00 0.00 C ATOM 617 CG1 VAL A 38 0.189 -26.096 -13.265 1.00 0.00 C ATOM 618 CG2 VAL A 38 2.509 -26.358 -14.159 1.00 0.00 C ATOM 0 H VAL A 38 2.899 -23.589 -13.312 1.00 0.00 H new ATOM 0 HA VAL A 38 1.460 -24.970 -11.178 1.00 0.00 H new ATOM 0 HB VAL A 38 1.778 -27.168 -12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.125 -26.940 -13.879 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.409 -26.068 -12.354 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.046 -25.170 -13.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.164 -27.199 -14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.422 -25.438 -14.737 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.551 -26.514 -13.881 1.00 0.00 H new ATOM 628 N THR A 39 3.741 -26.437 -10.794 1.00 0.00 N ATOM 629 CA THR A 39 5.064 -26.777 -10.244 1.00 0.00 C ATOM 630 C THR A 39 5.977 -27.474 -11.275 1.00 0.00 C ATOM 631 O THR A 39 5.646 -28.521 -11.830 1.00 0.00 O ATOM 632 CB THR A 39 4.931 -27.682 -9.005 1.00 0.00 C ATOM 633 OG1 THR A 39 4.246 -26.976 -7.964 1.00 0.00 O ATOM 634 CG2 THR A 39 6.304 -28.107 -8.507 1.00 0.00 C ATOM 0 H THR A 39 3.002 -27.100 -10.562 1.00 0.00 H new ATOM 0 HA THR A 39 5.525 -25.829 -9.966 1.00 0.00 H new ATOM 0 HB THR A 39 4.364 -28.571 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.364 -26.695 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.192 -28.746 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.822 -28.657 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.884 -27.223 -8.240 1.00 0.00 H new ATOM 642 N GLU A 40 7.126 -26.856 -11.546 1.00 0.00 N ATOM 643 CA GLU A 40 8.116 -27.400 -12.490 1.00 0.00 C ATOM 644 C GLU A 40 9.380 -27.885 -11.754 1.00 0.00 C ATOM 645 O GLU A 40 9.642 -27.473 -10.626 1.00 0.00 O ATOM 646 CB GLU A 40 8.488 -26.350 -13.539 1.00 0.00 C ATOM 647 CG GLU A 40 7.327 -25.889 -14.407 1.00 0.00 C ATOM 648 CD GLU A 40 6.803 -27.011 -15.260 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.576 -27.593 -15.981 1.00 0.00 O ATOM 650 OE2 GLU A 40 5.656 -27.360 -15.109 1.00 0.00 O ATOM 0 H GLU A 40 7.401 -25.969 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 40 7.664 -28.256 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.914 -25.484 -13.033 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.267 -26.758 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.526 -25.506 -13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.651 -25.066 -15.044 1.00 0.00 H new ATOM 657 N ARG A 41 10.171 -28.751 -12.394 1.00 0.00 N ATOM 658 CA ARG A 41 11.429 -29.220 -11.798 1.00 0.00 C ATOM 659 C ARG A 41 12.229 -28.048 -11.216 1.00 0.00 C ATOM 660 O ARG A 41 12.602 -28.060 -10.047 1.00 0.00 O ATOM 661 CB ARG A 41 12.262 -30.034 -12.778 1.00 0.00 C ATOM 662 CG ARG A 41 13.594 -30.521 -12.233 1.00 0.00 C ATOM 663 CD ARG A 41 14.363 -31.379 -13.172 1.00 0.00 C ATOM 664 NE ARG A 41 15.737 -31.632 -12.768 1.00 0.00 N ATOM 665 CZ ARG A 41 16.550 -32.537 -13.348 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.122 -33.302 -14.328 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.784 -32.654 -12.888 1.00 0.00 N ATOM 0 H ARG A 41 9.967 -29.139 -13.315 1.00 0.00 H new ATOM 0 HA ARG A 41 11.169 -29.891 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.679 -30.898 -13.098 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.448 -29.428 -13.665 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.203 -29.656 -11.968 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.415 -31.079 -11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.847 -32.333 -13.278 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.367 -30.908 -14.155 1.00 0.00 H new ATOM 0 HE ARG A 41 16.111 -31.087 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.162 -33.216 -14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.750 -33.982 -14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.098 -32.068 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.422 -33.330 -13.307 1.00 0.00 H new ATOM 681 N GLU A 42 12.456 -27.019 -12.029 1.00 0.00 N ATOM 682 CA GLU A 42 13.260 -25.861 -11.614 1.00 0.00 C ATOM 683 C GLU A 42 12.573 -25.089 -10.467 1.00 0.00 C ATOM 684 O GLU A 42 13.231 -24.486 -9.621 1.00 0.00 O ATOM 685 CB GLU A 42 13.508 -24.931 -12.803 1.00 0.00 C ATOM 686 CG GLU A 42 14.468 -25.486 -13.846 1.00 0.00 C ATOM 687 CD GLU A 42 14.583 -24.565 -15.029 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.889 -23.577 -15.057 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.445 -24.786 -15.847 1.00 0.00 O ATOM 0 H GLU A 42 12.096 -26.959 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 42 14.218 -26.230 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.554 -24.714 -13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.901 -23.984 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.451 -25.630 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.122 -26.465 -14.177 1.00 0.00 H new ATOM 696 N TYR A 43 11.242 -25.133 -10.454 1.00 0.00 N ATOM 697 CA TYR A 43 10.427 -24.471 -9.426 1.00 0.00 C ATOM 698 C TYR A 43 10.754 -24.987 -8.011 1.00 0.00 C ATOM 699 O TYR A 43 10.663 -24.239 -7.040 1.00 0.00 O ATOM 700 CB TYR A 43 8.946 -24.707 -9.766 1.00 0.00 C ATOM 701 CG TYR A 43 7.931 -23.912 -8.965 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.590 -22.613 -9.331 1.00 0.00 C ATOM 703 CD2 TYR A 43 7.276 -24.480 -7.877 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.628 -21.907 -8.636 1.00 0.00 C ATOM 705 CE2 TYR A 43 6.320 -23.775 -7.172 1.00 0.00 C ATOM 706 CZ TYR A 43 5.998 -22.491 -7.558 1.00 0.00 C ATOM 707 OH TYR A 43 5.031 -21.796 -6.873 1.00 0.00 O ATOM 0 H TYR A 43 10.693 -25.629 -11.156 1.00 0.00 H new ATOM 0 HA TYR A 43 10.650 -23.404 -9.423 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.799 -24.482 -10.822 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.730 -25.767 -9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.086 -22.150 -10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.519 -25.489 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.370 -20.902 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.828 -24.227 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 43 4.291 -21.581 -7.479 1.00 0.00 H new ATOM 717 N TYR A 44 11.131 -26.267 -7.894 1.00 0.00 N ATOM 718 CA TYR A 44 11.511 -26.832 -6.582 1.00 0.00 C ATOM 719 C TYR A 44 12.917 -27.468 -6.569 1.00 0.00 C ATOM 720 O TYR A 44 13.353 -27.969 -5.536 1.00 0.00 O ATOM 721 CB TYR A 44 10.477 -27.873 -6.147 1.00 0.00 C ATOM 722 CG TYR A 44 10.450 -29.111 -7.016 1.00 0.00 C ATOM 723 CD1 TYR A 44 11.284 -30.187 -6.752 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.588 -29.200 -8.099 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.263 -31.320 -7.543 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.558 -30.327 -8.897 1.00 0.00 C ATOM 727 CZ TYR A 44 10.398 -31.386 -8.616 1.00 0.00 C ATOM 728 OH TYR A 44 10.371 -32.511 -9.406 1.00 0.00 O ATOM 0 H TYR A 44 11.182 -26.924 -8.672 1.00 0.00 H new ATOM 0 HA TYR A 44 11.536 -25.997 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 10.683 -28.168 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.488 -27.414 -6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.962 -30.139 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.929 -28.374 -8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.920 -32.149 -7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.881 -30.380 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 44 9.706 -32.396 -10.117 1.00 0.00 H new ATOM 738 N GLU A 45 13.622 -27.444 -7.702 1.00 0.00 N ATOM 739 CA GLU A 45 14.990 -27.996 -7.783 1.00 0.00 C ATOM 740 C GLU A 45 16.020 -27.142 -7.014 1.00 0.00 C ATOM 741 O GLU A 45 16.813 -27.663 -6.229 1.00 0.00 O ATOM 742 CB GLU A 45 15.418 -28.130 -9.246 1.00 0.00 C ATOM 743 CG GLU A 45 16.833 -28.655 -9.442 1.00 0.00 C ATOM 744 CD GLU A 45 17.110 -28.951 -10.890 1.00 0.00 C ATOM 745 OE1 GLU A 45 17.011 -28.052 -11.690 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.530 -30.046 -11.182 1.00 0.00 O ATOM 0 H GLU A 45 13.276 -27.051 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 45 14.965 -28.978 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.722 -28.797 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.335 -27.155 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.550 -27.920 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.973 -29.560 -8.850 1.00 0.00 H new ATOM 753 N ASP A 46 16.010 -25.832 -7.249 1.00 0.00 N ATOM 754 CA ASP A 46 16.891 -24.916 -6.511 1.00 0.00 C ATOM 755 C ASP A 46 16.180 -24.287 -5.301 1.00 0.00 C ATOM 756 O ASP A 46 16.730 -23.406 -4.630 1.00 0.00 O ATOM 757 CB ASP A 46 17.413 -23.817 -7.440 1.00 0.00 C ATOM 758 CG ASP A 46 18.296 -24.320 -8.575 1.00 0.00 C ATOM 759 OD1 ASP A 46 19.175 -25.105 -8.313 1.00 0.00 O ATOM 760 OD2 ASP A 46 17.988 -24.039 -9.708 1.00 0.00 O ATOM 0 H ASP A 46 15.409 -25.379 -7.937 1.00 0.00 H new ATOM 0 HA ASP A 46 17.730 -25.502 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.563 -23.284 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.978 -23.096 -6.849 1.00 0.00 H new ATOM 765 N PHE A 47 14.967 -24.750 -5.019 1.00 0.00 N ATOM 766 CA PHE A 47 14.146 -24.176 -3.949 1.00 0.00 C ATOM 767 C PHE A 47 13.752 -25.226 -2.893 1.00 0.00 C ATOM 768 O PHE A 47 14.060 -26.412 -3.023 1.00 0.00 O ATOM 769 CB PHE A 47 12.891 -23.533 -4.540 1.00 0.00 C ATOM 770 CG PHE A 47 13.179 -22.467 -5.559 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.334 -21.144 -5.175 1.00 0.00 C ATOM 772 CD2 PHE A 47 13.296 -22.786 -6.904 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.597 -20.163 -6.111 1.00 0.00 C ATOM 774 CE2 PHE A 47 13.561 -21.807 -7.842 1.00 0.00 C ATOM 775 CZ PHE A 47 13.712 -20.496 -7.446 1.00 0.00 C ATOM 0 H PHE A 47 14.526 -25.524 -5.516 1.00 0.00 H new ATOM 0 HA PHE A 47 14.747 -23.417 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.280 -24.308 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.301 -23.101 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.248 -20.877 -4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 47 13.179 -23.812 -7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.713 -19.136 -5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.650 -22.069 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.920 -19.730 -8.179 1.00 0.00 H new ATOM 785 N GLY A 48 13.060 -24.780 -1.846 1.00 0.00 N ATOM 786 CA GLY A 48 12.498 -25.709 -0.869 1.00 0.00 C ATOM 787 C GLY A 48 12.287 -25.090 0.509 1.00 0.00 C ATOM 788 O GLY A 48 11.325 -25.417 1.205 1.00 0.00 O ATOM 0 H GLY A 48 12.877 -23.795 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.544 -26.081 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.161 -26.569 -0.774 1.00 0.00 H new ATOM 792 N TYR A 49 13.181 -24.188 0.905 1.00 0.00 N ATOM 793 CA TYR A 49 13.128 -23.585 2.246 1.00 0.00 C ATOM 794 C TYR A 49 13.241 -22.054 2.188 1.00 0.00 C ATOM 795 O TYR A 49 13.989 -21.510 1.382 1.00 0.00 O ATOM 796 CB TYR A 49 14.237 -24.166 3.136 1.00 0.00 C ATOM 797 CG TYR A 49 14.079 -25.654 3.410 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.561 -26.608 2.516 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.440 -26.103 4.563 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.411 -27.960 2.766 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.287 -27.452 4.817 1.00 0.00 C ATOM 802 CZ TYR A 49 13.773 -28.376 3.916 1.00 0.00 C ATOM 803 OH TYR A 49 13.618 -29.721 4.168 1.00 0.00 O ATOM 0 H TYR A 49 13.950 -23.855 0.324 1.00 0.00 H new ATOM 0 HA TYR A 49 12.157 -23.828 2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.202 -23.993 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.249 -23.629 4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.060 -26.287 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.057 -25.383 5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.792 -28.687 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.789 -27.782 5.717 1.00 0.00 H new ATOM 0 HH TYR A 49 12.775 -29.869 4.645 1.00 0.00 H new ATOM 813 N GLY A 50 12.497 -21.375 3.060 1.00 0.00 N ATOM 814 CA GLY A 50 12.538 -19.916 3.123 1.00 0.00 C ATOM 815 C GLY A 50 11.152 -19.296 2.989 1.00 0.00 C ATOM 816 O GLY A 50 10.165 -20.022 2.886 1.00 0.00 O ATOM 0 H GLY A 50 11.862 -21.810 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.983 -19.607 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.182 -19.537 2.329 1.00 0.00 H new ATOM 820 N GLU A 51 11.080 -17.961 2.978 1.00 0.00 N ATOM 821 CA GLU A 51 9.792 -17.242 2.905 1.00 0.00 C ATOM 822 C GLU A 51 8.831 -17.900 1.909 1.00 0.00 C ATOM 823 O GLU A 51 7.738 -18.326 2.270 1.00 0.00 O ATOM 824 CB GLU A 51 10.018 -15.778 2.519 1.00 0.00 C ATOM 825 CG GLU A 51 10.551 -14.905 3.647 1.00 0.00 C ATOM 826 CD GLU A 51 9.445 -14.461 4.564 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.165 -15.161 5.507 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.956 -13.371 4.387 1.00 0.00 O ATOM 0 H GLU A 51 11.896 -17.351 3.019 1.00 0.00 H new ATOM 0 HA GLU A 51 9.336 -17.289 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.718 -15.739 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.076 -15.359 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.298 -15.458 4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.052 -14.032 3.228 1.00 0.00 H new ATOM 835 N CYS A 52 9.249 -17.971 0.653 1.00 0.00 N ATOM 836 CA CYS A 52 8.519 -18.719 -0.372 1.00 0.00 C ATOM 837 C CYS A 52 9.447 -19.761 -1.011 1.00 0.00 C ATOM 838 O CYS A 52 9.543 -19.857 -2.234 1.00 0.00 O ATOM 839 CB CYS A 52 8.135 -17.637 -1.381 1.00 0.00 C ATOM 840 SG CYS A 52 7.070 -16.334 -0.716 1.00 0.00 S ATOM 0 H CYS A 52 10.097 -17.517 0.313 1.00 0.00 H new ATOM 0 HA CYS A 52 7.656 -19.266 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.046 -17.181 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.629 -18.107 -2.224 1.00 0.00 H new ATOM 0 HG CYS A 52 6.807 -15.469 -1.651 1.00 0.00 H new ATOM 846 N PHE A 53 10.167 -20.508 -0.165 1.00 0.00 N ATOM 847 CA PHE A 53 11.144 -21.517 -0.626 1.00 0.00 C ATOM 848 C PHE A 53 12.366 -20.875 -1.319 1.00 0.00 C ATOM 849 O PHE A 53 13.193 -21.579 -1.902 1.00 0.00 O ATOM 850 CB PHE A 53 10.483 -22.523 -1.590 1.00 0.00 C ATOM 851 CG PHE A 53 9.346 -23.338 -1.010 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.861 -23.098 0.266 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.755 -24.351 -1.763 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.818 -23.847 0.776 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.714 -25.097 -1.253 1.00 0.00 C ATOM 856 CZ PHE A 53 7.244 -24.843 0.017 1.00 0.00 C ATOM 0 H PHE A 53 10.094 -20.436 0.850 1.00 0.00 H new ATOM 0 HA PHE A 53 11.493 -22.039 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.109 -21.977 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.249 -23.208 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.303 -22.318 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.118 -24.554 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.452 -23.651 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.267 -25.880 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.426 -25.424 0.417 1.00 0.00 H new ATOM 866 N ASN A 54 12.488 -19.552 -1.232 1.00 0.00 N ATOM 867 CA ASN A 54 13.514 -18.817 -1.982 1.00 0.00 C ATOM 868 C ASN A 54 14.802 -18.604 -1.164 1.00 0.00 C ATOM 869 O ASN A 54 14.898 -19.018 -0.008 1.00 0.00 O ATOM 870 CB ASN A 54 12.980 -17.483 -2.467 1.00 0.00 C ATOM 871 CG ASN A 54 12.629 -16.531 -1.357 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.392 -16.353 -0.401 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.444 -15.982 -1.437 1.00 0.00 N ATOM 0 H ASN A 54 11.891 -18.964 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 54 13.770 -19.434 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.725 -17.016 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.094 -17.657 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.112 -15.375 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.853 -16.161 -2.248 1.00 0.00 H new ATOM 880 N SER A 55 15.785 -17.935 -1.775 1.00 0.00 N ATOM 881 CA SER A 55 17.054 -17.605 -1.100 1.00 0.00 C ATOM 882 C SER A 55 17.215 -16.084 -0.945 1.00 0.00 C ATOM 883 O SER A 55 18.316 -15.542 -1.059 1.00 0.00 O ATOM 884 CB SER A 55 18.224 -18.184 -1.871 1.00 0.00 C ATOM 885 OG SER A 55 18.261 -17.727 -3.195 1.00 0.00 O ATOM 0 H SER A 55 15.730 -17.608 -2.740 1.00 0.00 H new ATOM 0 HA SER A 55 17.036 -18.047 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.155 -17.918 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.159 -19.272 -1.865 1.00 0.00 H new ATOM 0 HG SER A 55 17.383 -17.857 -3.610 1.00 0.00 H new ATOM 891 N THR A 56 16.095 -15.407 -0.706 1.00 0.00 N ATOM 892 CA THR A 56 16.062 -13.950 -0.510 1.00 0.00 C ATOM 893 C THR A 56 15.658 -13.557 0.922 1.00 0.00 C ATOM 894 O THR A 56 15.086 -14.357 1.662 1.00 0.00 O ATOM 895 CB THR A 56 15.092 -13.280 -1.501 1.00 0.00 C ATOM 896 OG1 THR A 56 13.753 -13.713 -1.230 1.00 0.00 O ATOM 897 CG2 THR A 56 15.457 -13.641 -2.933 1.00 0.00 C ATOM 0 H THR A 56 15.178 -15.850 -0.641 1.00 0.00 H new ATOM 0 HA THR A 56 17.078 -13.599 -0.690 1.00 0.00 H new ATOM 0 HB THR A 56 15.164 -12.199 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.118 -13.075 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.761 -13.158 -3.619 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.471 -13.302 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.402 -14.722 -3.061 1.00 0.00 H new ATOM 905 N GLU A 57 15.958 -12.309 1.299 1.00 0.00 N ATOM 906 CA GLU A 57 15.679 -11.795 2.652 1.00 0.00 C ATOM 907 C GLU A 57 14.173 -11.635 2.953 1.00 0.00 C ATOM 908 O GLU A 57 13.417 -11.071 2.153 1.00 0.00 O ATOM 909 CB GLU A 57 16.387 -10.453 2.851 1.00 0.00 C ATOM 910 CG GLU A 57 16.254 -9.873 4.252 1.00 0.00 C ATOM 911 CD GLU A 57 17.027 -8.591 4.390 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.645 -8.188 3.434 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.909 -7.956 5.411 1.00 0.00 O ATOM 0 H GLU A 57 16.399 -11.627 0.681 1.00 0.00 H new ATOM 0 HA GLU A 57 16.060 -12.540 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.445 -10.577 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.987 -9.735 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.202 -9.691 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.614 -10.597 4.983 1.00 0.00 H new ATOM 920 N SER A 58 13.745 -12.154 4.102 1.00 0.00 N ATOM 921 CA SER A 58 12.374 -11.962 4.590 1.00 0.00 C ATOM 922 C SER A 58 12.004 -10.467 4.640 1.00 0.00 C ATOM 923 O SER A 58 12.673 -9.677 5.312 1.00 0.00 O ATOM 924 CB SER A 58 12.216 -12.592 5.961 1.00 0.00 C ATOM 925 OG SER A 58 10.930 -12.403 6.482 1.00 0.00 O ATOM 0 H SER A 58 14.331 -12.716 4.720 1.00 0.00 H new ATOM 0 HA SER A 58 11.693 -12.451 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.427 -13.659 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.950 -12.163 6.643 1.00 0.00 H new ATOM 0 HG SER A 58 10.869 -12.825 7.365 1.00 0.00 H new ATOM 931 N GLU A 59 10.929 -10.080 3.945 1.00 0.00 N ATOM 932 CA GLU A 59 10.455 -8.685 3.988 1.00 0.00 C ATOM 933 C GLU A 59 9.020 -8.542 4.539 1.00 0.00 C ATOM 934 O GLU A 59 8.705 -7.557 5.217 1.00 0.00 O ATOM 935 CB GLU A 59 10.532 -8.068 2.589 1.00 0.00 C ATOM 936 CG GLU A 59 11.946 -7.898 2.055 1.00 0.00 C ATOM 937 CD GLU A 59 11.939 -7.343 0.657 1.00 0.00 C ATOM 938 OE1 GLU A 59 10.873 -7.138 0.125 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.992 -7.020 0.161 1.00 0.00 O ATOM 0 H GLU A 59 10.375 -10.699 3.353 1.00 0.00 H new ATOM 0 HA GLU A 59 11.111 -8.154 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.968 -8.694 1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.044 -7.094 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.507 -7.232 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.459 -8.860 2.064 1.00 0.00 H new ATOM 946 N VAL A 60 8.160 -9.525 4.276 1.00 0.00 N ATOM 947 CA VAL A 60 6.738 -9.432 4.657 1.00 0.00 C ATOM 948 C VAL A 60 6.271 -10.650 5.495 1.00 0.00 C ATOM 949 O VAL A 60 5.076 -10.842 5.738 1.00 0.00 O ATOM 950 CB VAL A 60 5.838 -9.307 3.414 1.00 0.00 C ATOM 951 CG1 VAL A 60 6.120 -8.003 2.682 1.00 0.00 C ATOM 952 CG2 VAL A 60 6.045 -10.494 2.484 1.00 0.00 C ATOM 0 H VAL A 60 8.414 -10.393 3.804 1.00 0.00 H new ATOM 0 HA VAL A 60 6.647 -8.536 5.270 1.00 0.00 H new ATOM 0 HB VAL A 60 4.798 -9.302 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.475 -7.931 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.924 -7.162 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.163 -7.981 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.401 -10.389 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.087 -10.529 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.796 -11.416 3.010 1.00 0.00 H new ATOM 962 N GLN A 61 7.243 -11.455 5.945 1.00 0.00 N ATOM 963 CA GLN A 61 7.010 -12.625 6.822 1.00 0.00 C ATOM 964 C GLN A 61 6.068 -13.683 6.208 1.00 0.00 C ATOM 965 O GLN A 61 5.134 -14.153 6.866 1.00 0.00 O ATOM 966 CB GLN A 61 6.434 -12.164 8.163 1.00 0.00 C ATOM 967 CG GLN A 61 7.375 -11.293 8.977 1.00 0.00 C ATOM 968 CD GLN A 61 8.563 -12.069 9.514 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.405 -13.132 10.120 1.00 0.00 O ATOM 970 NE2 GLN A 61 9.762 -11.538 9.298 1.00 0.00 N ATOM 0 H GLN A 61 8.226 -11.316 5.711 1.00 0.00 H new ATOM 0 HA GLN A 61 7.982 -13.101 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.513 -11.611 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.168 -13.041 8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.732 -10.471 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.827 -10.850 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.846 -10.656 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.599 -12.012 9.638 1.00 0.00 H new ATOM 979 N CYS A 62 6.338 -14.096 4.968 1.00 0.00 N ATOM 980 CA CYS A 62 5.542 -15.150 4.322 1.00 0.00 C ATOM 981 C CYS A 62 5.673 -16.483 5.067 1.00 0.00 C ATOM 982 O CYS A 62 4.775 -17.324 5.012 1.00 0.00 O ATOM 983 CB CYS A 62 6.172 -15.247 2.933 1.00 0.00 C ATOM 984 SG CYS A 62 5.913 -13.792 1.889 1.00 0.00 S ATOM 0 H CYS A 62 7.093 -13.723 4.393 1.00 0.00 H new ATOM 0 HA CYS A 62 4.475 -14.928 4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.244 -15.412 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.766 -16.121 2.424 1.00 0.00 H new ATOM 0 HG CYS A 62 4.725 -13.841 1.363 1.00 0.00 H new ATOM 990 N GLU A 63 6.786 -16.667 5.788 1.00 0.00 N ATOM 991 CA GLU A 63 7.024 -17.918 6.531 1.00 0.00 C ATOM 992 C GLU A 63 5.991 -18.110 7.663 1.00 0.00 C ATOM 993 O GLU A 63 5.889 -19.184 8.260 1.00 0.00 O ATOM 994 CB GLU A 63 8.442 -17.932 7.106 1.00 0.00 C ATOM 995 CG GLU A 63 8.684 -16.913 8.210 1.00 0.00 C ATOM 996 CD GLU A 63 10.098 -16.979 8.715 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.857 -17.763 8.198 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.452 -16.171 9.540 1.00 0.00 O ATOM 0 H GLU A 63 7.531 -15.976 5.875 1.00 0.00 H new ATOM 0 HA GLU A 63 6.912 -18.746 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.653 -18.928 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.150 -17.749 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.476 -15.911 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.993 -17.095 9.033 1.00 0.00 H new ATOM 1005 N LEU A 64 5.240 -17.057 7.957 1.00 0.00 N ATOM 1006 CA LEU A 64 4.149 -17.104 8.930 1.00 0.00 C ATOM 1007 C LEU A 64 2.854 -16.616 8.262 1.00 0.00 C ATOM 1008 O LEU A 64 1.979 -17.414 7.929 1.00 0.00 O ATOM 1009 CB LEU A 64 4.486 -16.253 10.162 1.00 0.00 C ATOM 1010 CG LEU A 64 3.397 -16.210 11.243 1.00 0.00 C ATOM 1011 CD1 LEU A 64 3.172 -17.604 11.813 1.00 0.00 C ATOM 1012 CD2 LEU A 64 3.808 -15.238 12.339 1.00 0.00 C ATOM 0 H LEU A 64 5.368 -16.141 7.527 1.00 0.00 H new ATOM 0 HA LEU A 64 4.010 -18.131 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.404 -16.636 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.691 -15.234 9.835 1.00 0.00 H new ATOM 0 HG LEU A 64 2.460 -15.867 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.398 -17.563 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.858 -18.277 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.099 -17.971 12.253 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.035 -15.207 13.107 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.748 -15.567 12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.936 -14.243 11.913 1.00 0.00 H new ATOM 1024 N ILE A 65 2.762 -15.295 8.069 1.00 0.00 N ATOM 1025 CA ILE A 65 1.624 -14.655 7.394 1.00 0.00 C ATOM 1026 C ILE A 65 1.980 -13.217 6.966 1.00 0.00 C ATOM 1027 O ILE A 65 2.765 -12.530 7.625 1.00 0.00 O ATOM 1028 CB ILE A 65 0.376 -14.624 8.297 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.853 -14.189 7.494 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.599 -13.694 9.479 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.167 -14.507 8.170 1.00 0.00 C ATOM 0 H ILE A 65 3.477 -14.636 8.377 1.00 0.00 H new ATOM 0 HA ILE A 65 1.399 -15.251 6.509 1.00 0.00 H new ATOM 0 HB ILE A 65 0.199 -15.629 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.797 -13.115 7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.829 -14.676 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.292 -13.684 10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.450 -14.045 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.799 -12.686 9.116 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.991 -14.169 7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.246 -15.583 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.213 -13.998 9.133 1.00 0.00 H new ATOM 1043 N THR A 66 1.402 -12.762 5.854 1.00 0.00 N ATOM 1044 CA THR A 66 1.723 -11.437 5.289 1.00 0.00 C ATOM 1045 C THR A 66 0.581 -10.425 5.522 1.00 0.00 C ATOM 1046 O THR A 66 0.789 -9.212 5.505 1.00 0.00 O ATOM 1047 CB THR A 66 2.012 -11.527 3.779 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.836 -11.973 3.090 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.151 -12.498 3.510 1.00 0.00 C ATOM 0 H THR A 66 0.708 -13.286 5.321 1.00 0.00 H new ATOM 0 HA THR A 66 2.616 -11.088 5.807 1.00 0.00 H new ATOM 0 HB THR A 66 2.299 -10.538 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.937 -12.917 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.341 -12.548 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.050 -12.155 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.880 -13.488 3.877 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.628 -10.934 5.752 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.834 -10.124 5.610 1.00 0.00 C ATOM 1059 C GLY A 67 -2.466 -10.182 4.218 1.00 0.00 C ATOM 1060 O GLY A 67 -3.652 -9.880 4.055 1.00 0.00 O ATOM 0 H GLY A 67 -0.797 -11.899 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.569 -10.454 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.592 -9.087 5.844 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.678 -10.583 3.220 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.199 -10.880 1.879 1.00 0.00 C ATOM 1066 C GLU A 68 -2.491 -12.374 1.652 1.00 0.00 C ATOM 1067 O GLU A 68 -3.231 -12.731 0.737 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.211 -10.384 0.819 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.928 -8.890 0.874 1.00 0.00 C ATOM 1070 CD GLU A 68 -2.160 -8.088 0.559 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.650 -8.195 -0.541 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.678 -7.456 1.448 1.00 0.00 O ATOM 0 H GLU A 68 -0.670 -10.711 3.313 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.152 -10.357 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.271 -10.924 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.601 -10.631 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.562 -8.623 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.138 -8.641 0.165 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.902 -13.240 2.475 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.148 -14.691 2.381 1.00 0.00 C ATOM 1081 C PHE A 69 -3.326 -15.151 3.263 1.00 0.00 C ATOM 1082 O PHE A 69 -3.464 -16.341 3.559 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.882 -15.461 2.764 1.00 0.00 C ATOM 1084 CG PHE A 69 0.279 -15.216 1.843 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.079 -14.683 0.579 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.573 -15.519 2.238 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.146 -14.457 -0.270 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.642 -15.294 1.393 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.427 -14.762 0.137 1.00 0.00 C ATOM 0 H PHE A 69 -1.252 -12.971 3.214 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.417 -14.904 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.593 -15.185 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.106 -16.528 2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.922 -14.442 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.747 -15.936 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.976 -14.041 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.645 -15.534 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.261 -14.585 -0.525 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.163 -14.203 3.683 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.324 -14.495 4.535 1.00 0.00 C ATOM 1101 C ASP A 70 -6.389 -15.322 3.769 1.00 0.00 C ATOM 1102 O ASP A 70 -6.977 -14.839 2.798 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.937 -13.194 5.061 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.133 -13.390 5.982 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.598 -14.499 6.092 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.472 -12.468 6.686 1.00 0.00 O ATOM 0 H ASP A 70 -4.060 -13.216 3.446 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.980 -15.091 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.169 -12.635 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.243 -12.582 4.213 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.657 -16.575 4.203 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.688 -17.451 3.585 1.00 0.00 C ATOM 1113 C PRO A 71 -9.100 -16.829 3.455 1.00 0.00 C ATOM 1114 O PRO A 71 -9.877 -17.241 2.589 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.704 -18.670 4.512 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.336 -18.709 5.101 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.952 -17.268 5.312 1.00 0.00 C ATOM 0 HA PRO A 71 -7.434 -17.667 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.466 -18.571 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.925 -19.584 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.328 -19.260 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.635 -19.209 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.274 -16.902 6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.873 -17.125 5.258 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.444 -15.854 4.297 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.766 -15.209 4.225 1.00 0.00 C ATOM 1127 C LYS A 72 -10.871 -14.296 2.986 1.00 0.00 C ATOM 1128 O LYS A 72 -11.958 -14.089 2.446 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.039 -14.406 5.498 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.253 -15.254 6.744 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.519 -14.387 7.965 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.733 -15.234 9.211 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.970 -14.399 10.419 1.00 0.00 N ATOM 0 H LYS A 72 -8.836 -15.493 5.032 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.518 -15.993 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.202 -13.730 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.921 -13.786 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.093 -15.930 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.374 -15.873 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.679 -13.711 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.398 -13.768 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.584 -15.898 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.861 -15.867 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.111 -15.015 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.148 -13.784 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.817 -13.813 10.275 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.738 -13.745 2.548 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.723 -12.787 1.431 1.00 0.00 C ATOM 1149 C LEU A 73 -9.188 -13.423 0.136 1.00 0.00 C ATOM 1150 O LEU A 73 -9.468 -12.938 -0.960 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.882 -11.559 1.804 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.372 -10.782 3.032 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.411 -9.643 3.347 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.773 -10.248 2.773 1.00 0.00 C ATOM 0 H LEU A 73 -8.819 -13.942 2.945 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.752 -12.480 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.856 -11.882 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.859 -10.881 0.951 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.405 -11.449 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.768 -9.097 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.420 -10.049 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.356 -8.967 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.119 -9.696 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.755 -9.585 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.449 -11.080 2.578 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.419 -14.502 0.263 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.869 -15.200 -0.907 1.00 0.00 C ATOM 1168 C LEU A 74 -8.801 -16.353 -1.332 1.00 0.00 C ATOM 1169 O LEU A 74 -8.960 -17.332 -0.598 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.462 -15.727 -0.601 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.874 -16.672 -1.656 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.667 -15.925 -2.967 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.559 -17.245 -1.150 1.00 0.00 C ATOM 0 H LEU A 74 -8.161 -14.914 1.159 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.799 -14.493 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.790 -14.876 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.487 -16.248 0.356 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.568 -17.493 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.249 -16.604 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.624 -15.542 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.980 -15.094 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.142 -17.916 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.857 -16.433 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.734 -17.797 -0.227 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.431 -16.251 -2.523 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.173 -17.371 -3.134 1.00 0.00 C ATOM 1187 C PRO A 75 -9.272 -18.552 -3.531 1.00 0.00 C ATOM 1188 O PRO A 75 -8.104 -18.375 -3.882 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.843 -16.737 -4.357 1.00 0.00 C ATOM 1190 CG PRO A 75 -9.929 -15.626 -4.746 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.395 -15.075 -3.450 1.00 0.00 C ATOM 0 HA PRO A 75 -10.883 -17.812 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.958 -17.459 -5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.839 -16.366 -4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.121 -15.987 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.460 -14.859 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.383 -14.688 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.010 -14.254 -3.080 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.815 -19.767 -3.483 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.006 -20.967 -3.716 1.00 0.00 C ATOM 1201 C TYR A 76 -9.534 -21.820 -4.881 1.00 0.00 C ATOM 1202 O TYR A 76 -10.546 -22.513 -4.767 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.944 -21.811 -2.442 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.151 -21.174 -1.322 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.765 -21.142 -1.362 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.791 -20.608 -0.228 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -6.035 -20.561 -0.342 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -8.071 -20.025 0.797 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.692 -20.003 0.736 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.971 -19.425 1.754 1.00 0.00 O ATOM 0 H TYR A 76 -10.800 -19.948 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.006 -20.630 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.959 -22.000 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.504 -22.779 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.248 -21.578 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.870 -20.624 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.956 -20.544 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.584 -19.589 1.641 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.048 -19.279 1.459 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.847 -21.741 -6.017 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.084 -22.653 -7.141 1.00 0.00 C ATOM 1222 C ASP A 77 -8.190 -23.895 -6.979 1.00 0.00 C ATOM 1223 O ASP A 77 -7.311 -23.907 -6.124 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.810 -21.959 -8.477 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.517 -22.591 -9.670 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.129 -23.617 -9.497 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.571 -21.966 -10.702 1.00 0.00 O ATOM 0 H ASP A 77 -8.116 -21.051 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.131 -22.958 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.115 -20.915 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.736 -21.964 -8.662 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.398 -24.923 -7.799 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.609 -26.162 -7.696 1.00 0.00 C ATOM 1234 C LYS A 78 -6.095 -25.885 -7.832 1.00 0.00 C ATOM 1235 O LYS A 78 -5.307 -26.158 -6.916 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.058 -27.166 -8.760 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.302 -28.487 -8.738 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.825 -29.443 -9.800 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.049 -30.752 -9.798 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.543 -31.693 -10.841 1.00 0.00 N ATOM 0 H LYS A 78 -9.100 -24.929 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.784 -26.585 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.121 -27.368 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.941 -26.711 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.240 -28.303 -8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.397 -28.946 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.881 -29.644 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.750 -28.975 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.992 -30.547 -9.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.131 -31.221 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.988 -32.572 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.545 -31.909 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.441 -31.256 -11.779 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.700 -25.295 -8.962 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.285 -25.022 -9.238 1.00 0.00 C ATOM 1256 C ARG A 79 -3.764 -23.845 -8.405 1.00 0.00 C ATOM 1257 O ARG A 79 -2.639 -23.882 -7.897 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.023 -24.810 -10.722 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.138 -26.062 -11.578 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.953 -25.828 -13.033 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.046 -27.026 -13.852 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.007 -27.037 -15.198 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -3.913 -25.918 -15.882 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.088 -28.202 -15.816 1.00 0.00 N ATOM 0 H ARG A 79 -6.337 -24.997 -9.700 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.728 -25.910 -8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.725 -24.065 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.023 -24.395 -10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.397 -26.787 -11.242 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.118 -26.510 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.702 -25.112 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.978 -25.368 -13.193 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.148 -27.921 -13.373 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.868 -25.024 -15.393 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.885 -25.944 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.177 -29.062 -15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.061 -28.242 -16.835 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.582 -22.801 -8.278 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.251 -21.641 -7.439 1.00 0.00 C ATOM 1280 C LEU A 80 -3.930 -22.069 -5.996 1.00 0.00 C ATOM 1281 O LEU A 80 -2.825 -21.836 -5.497 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.407 -20.633 -7.453 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.180 -19.367 -6.616 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.044 -18.547 -7.210 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.464 -18.553 -6.565 1.00 0.00 C ATOM 0 H LEU A 80 -5.485 -22.731 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.361 -21.167 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.598 -20.338 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.307 -21.131 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.903 -19.647 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.890 -17.650 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.130 -19.141 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.297 -18.261 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.302 -17.654 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.756 -18.271 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.255 -19.150 -6.112 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.894 -22.725 -5.348 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.735 -23.164 -3.958 1.00 0.00 C ATOM 1299 C ALA A 81 -3.485 -24.025 -3.763 1.00 0.00 C ATOM 1300 O ALA A 81 -2.619 -23.677 -2.964 1.00 0.00 O ATOM 1301 CB ALA A 81 -5.970 -23.920 -3.482 1.00 0.00 C ATOM 0 H ALA A 81 -5.794 -22.965 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.614 -22.264 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.828 -24.235 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.842 -23.269 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.125 -24.797 -4.111 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.381 -25.135 -4.507 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.287 -26.090 -4.282 1.00 0.00 C ATOM 1309 C TRP A 82 -0.912 -25.425 -4.439 1.00 0.00 C ATOM 1310 O TRP A 82 -0.129 -25.389 -3.499 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.406 -27.271 -5.246 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.304 -28.276 -5.101 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.407 -28.360 -4.079 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.984 -29.340 -6.007 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.454 -29.409 -4.291 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.118 -30.028 -5.468 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.526 -29.777 -7.222 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.691 -31.122 -6.097 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.952 -30.876 -7.852 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.124 -31.528 -7.305 1.00 0.00 C ATOM 0 H TRP A 82 -4.026 -25.391 -5.255 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.372 -26.450 -3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.363 -27.767 -5.083 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.412 -26.895 -6.269 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.377 -27.698 -3.226 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.219 -29.683 -3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.373 -29.271 -7.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.539 -31.637 -5.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.361 -31.223 -8.790 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.543 -32.378 -7.823 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.642 -24.874 -5.618 1.00 0.00 N ATOM 1332 CA HIS A 83 0.709 -24.406 -5.954 1.00 0.00 C ATOM 1333 C HIS A 83 1.066 -23.106 -5.223 1.00 0.00 C ATOM 1334 O HIS A 83 2.115 -23.013 -4.595 1.00 0.00 O ATOM 1335 CB HIS A 83 0.847 -24.203 -7.466 1.00 0.00 C ATOM 1336 CG HIS A 83 0.597 -25.445 -8.264 1.00 0.00 C ATOM 1337 ND1 HIS A 83 1.458 -26.523 -8.253 1.00 0.00 N ATOM 1338 CD2 HIS A 83 -0.415 -25.781 -9.098 1.00 0.00 C ATOM 1339 CE1 HIS A 83 0.985 -27.468 -9.046 1.00 0.00 C ATOM 1340 NE2 HIS A 83 -0.150 -27.043 -9.571 1.00 0.00 N ATOM 0 H HIS A 83 -1.332 -24.739 -6.357 1.00 0.00 H new ATOM 0 HA HIS A 83 1.405 -25.178 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.148 -23.430 -7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.850 -23.837 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.271 -25.171 -9.345 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.448 -28.426 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.735 -27.567 -10.222 1.00 0.00 H new ATOM 1345 N PHE A 84 0.187 -22.113 -5.285 1.00 0.00 N ATOM 1346 CA PHE A 84 0.465 -20.810 -4.667 1.00 0.00 C ATOM 1347 C PHE A 84 0.572 -20.905 -3.126 1.00 0.00 C ATOM 1348 O PHE A 84 1.521 -20.394 -2.530 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.604 -19.791 -5.085 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.520 -19.385 -6.545 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.584 -20.336 -7.560 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.382 -18.048 -6.898 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.512 -19.959 -8.888 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.310 -17.670 -8.228 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.375 -18.626 -9.222 1.00 0.00 C ATOM 0 H PHE A 84 -0.718 -22.178 -5.751 1.00 0.00 H new ATOM 0 HA PHE A 84 1.436 -20.471 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.591 -20.211 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.508 -18.901 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.691 -21.380 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.330 -17.295 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.563 -20.707 -9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.203 -16.627 -8.488 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.319 -18.332 -10.260 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.390 -21.569 -2.484 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.420 -21.649 -1.012 1.00 0.00 C ATOM 1367 C LYS A 85 0.770 -22.461 -0.460 1.00 0.00 C ATOM 1368 O LYS A 85 1.443 -22.033 0.478 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.737 -22.264 -0.540 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.909 -22.300 0.973 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.228 -22.948 1.366 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.363 -23.057 2.878 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.587 -23.808 3.274 1.00 0.00 N ATOM 0 H LYS A 85 -1.155 -22.057 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.339 -20.633 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.563 -21.700 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.808 -23.281 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.083 -22.852 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.868 -21.286 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.056 -22.363 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.295 -23.941 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.484 -23.555 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.394 -22.058 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.642 -23.860 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.428 -23.319 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.546 -24.770 2.881 1.00 0.00 H new ATOM 1387 N GLU A 86 1.025 -23.621 -1.056 1.00 0.00 N ATOM 1388 CA GLU A 86 2.070 -24.545 -0.585 1.00 0.00 C ATOM 1389 C GLU A 86 3.479 -23.948 -0.744 1.00 0.00 C ATOM 1390 O GLU A 86 4.373 -24.216 0.059 1.00 0.00 O ATOM 1391 CB GLU A 86 1.981 -25.875 -1.337 1.00 0.00 C ATOM 1392 CG GLU A 86 0.784 -26.735 -0.953 1.00 0.00 C ATOM 1393 CD GLU A 86 0.816 -27.094 0.507 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.800 -27.638 0.945 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.096 -26.722 1.209 1.00 0.00 O ATOM 0 H GLU A 86 0.519 -23.953 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 86 1.898 -24.715 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.939 -25.672 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.894 -26.443 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.138 -26.200 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.779 -27.645 -1.554 1.00 0.00 H new ATOM 1402 N PHE A 87 3.666 -23.132 -1.776 1.00 0.00 N ATOM 1403 CA PHE A 87 4.955 -22.479 -2.030 1.00 0.00 C ATOM 1404 C PHE A 87 5.159 -21.249 -1.128 1.00 0.00 C ATOM 1405 O PHE A 87 6.228 -21.067 -0.546 1.00 0.00 O ATOM 1406 CB PHE A 87 5.038 -22.065 -3.506 1.00 0.00 C ATOM 1407 CG PHE A 87 6.434 -21.763 -4.000 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.344 -22.789 -4.216 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.828 -20.460 -4.269 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.616 -22.521 -4.683 1.00 0.00 C ATOM 1411 CE2 PHE A 87 8.099 -20.190 -4.741 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.993 -21.221 -4.946 1.00 0.00 C ATOM 0 H PHE A 87 2.941 -22.903 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 87 5.746 -23.192 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.616 -22.863 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.415 -21.183 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.054 -23.810 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.134 -19.648 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.315 -23.329 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.392 -19.172 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.987 -21.010 -5.312 1.00 0.00 H new ATOM 1422 N CYS A 88 4.127 -20.408 -1.013 1.00 0.00 N ATOM 1423 CA CYS A 88 4.265 -19.092 -0.363 1.00 0.00 C ATOM 1424 C CYS A 88 3.871 -19.106 1.125 1.00 0.00 C ATOM 1425 O CYS A 88 4.571 -18.547 1.966 1.00 0.00 O ATOM 1426 CB CYS A 88 3.286 -18.230 -1.162 1.00 0.00 C ATOM 1427 SG CYS A 88 3.683 -18.080 -2.920 1.00 0.00 S ATOM 0 H CYS A 88 3.189 -20.610 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 88 5.296 -18.739 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.286 -18.651 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.257 -17.233 -0.722 1.00 0.00 H new ATOM 0 HG CYS A 88 3.882 -16.830 -3.215 1.00 0.00 H new ATOM 1433 N TYR A 89 2.750 -19.755 1.450 1.00 0.00 N ATOM 1434 CA TYR A 89 2.134 -19.624 2.786 1.00 0.00 C ATOM 1435 C TYR A 89 2.414 -20.850 3.680 1.00 0.00 C ATOM 1436 O TYR A 89 1.887 -20.967 4.788 1.00 0.00 O ATOM 1437 CB TYR A 89 0.618 -19.397 2.631 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.112 -19.109 3.934 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.258 -18.031 4.734 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.170 -19.907 4.364 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.398 -17.759 5.919 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.831 -19.638 5.550 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.441 -18.564 6.323 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.100 -18.291 7.504 1.00 0.00 O ATOM 0 H TYR A 89 2.248 -20.375 0.815 1.00 0.00 H new ATOM 0 HA TYR A 89 2.584 -18.765 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.456 -18.564 1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.176 -20.280 2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.073 -17.395 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.479 -20.749 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.095 -16.919 6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.649 -20.267 5.869 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.810 -18.952 7.643 1.00 0.00 H new ATOM 1454 N LYS A 90 3.262 -21.757 3.208 1.00 0.00 N ATOM 1455 CA LYS A 90 3.713 -22.885 4.030 1.00 0.00 C ATOM 1456 C LYS A 90 4.443 -22.412 5.296 1.00 0.00 C ATOM 1457 O LYS A 90 5.550 -21.889 5.237 1.00 0.00 O ATOM 1458 CB LYS A 90 4.622 -23.804 3.213 1.00 0.00 C ATOM 1459 CG LYS A 90 4.702 -25.234 3.733 1.00 0.00 C ATOM 1460 CD LYS A 90 3.390 -25.975 3.518 1.00 0.00 C ATOM 1461 CE LYS A 90 3.483 -27.416 3.996 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.223 -28.168 3.746 1.00 0.00 N ATOM 0 H LYS A 90 3.652 -21.738 2.266 1.00 0.00 H new ATOM 0 HA LYS A 90 2.828 -23.438 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.267 -23.824 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.626 -23.380 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.508 -25.763 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.947 -25.224 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.589 -25.464 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.129 -25.957 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.309 -27.914 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.709 -27.431 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.376 -29.177 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.472 -27.804 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.939 -28.049 2.753 1.00 0.00 H new ATOM 1476 N THR A 91 3.813 -22.600 6.452 1.00 0.00 N ATOM 1477 CA THR A 91 4.432 -22.235 7.735 1.00 0.00 C ATOM 1478 C THR A 91 5.345 -23.346 8.287 1.00 0.00 C ATOM 1479 O THR A 91 6.161 -23.115 9.181 1.00 0.00 O ATOM 1480 CB THR A 91 3.365 -21.902 8.793 1.00 0.00 C ATOM 1481 OG1 THR A 91 2.535 -23.049 9.017 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.500 -20.738 8.330 1.00 0.00 C ATOM 0 H THR A 91 2.878 -23.001 6.533 1.00 0.00 H new ATOM 0 HA THR A 91 5.042 -21.354 7.532 1.00 0.00 H new ATOM 0 HB THR A 91 3.868 -21.623 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.857 -22.836 9.692 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.751 -20.516 9.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.126 -19.860 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.002 -21.003 7.397 1.00 0.00 H new ATOM 1490 N SER A 92 5.209 -24.552 7.740 1.00 0.00 N ATOM 1491 CA SER A 92 6.052 -25.687 8.134 1.00 0.00 C ATOM 1492 C SER A 92 7.295 -25.805 7.241 1.00 0.00 C ATOM 1493 O SER A 92 7.254 -25.485 6.049 1.00 0.00 O ATOM 1494 CB SER A 92 5.247 -26.972 8.087 1.00 0.00 C ATOM 1495 OG SER A 92 4.217 -26.984 9.037 1.00 0.00 O ATOM 0 H SER A 92 4.521 -24.772 7.020 1.00 0.00 H new ATOM 0 HA SER A 92 6.394 -25.513 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.822 -27.097 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.909 -27.820 8.260 1.00 0.00 H new ATOM 0 HG SER A 92 3.722 -27.827 8.972 1.00 0.00 H new ATOM 1501 N ALA A 93 8.402 -26.248 7.833 1.00 0.00 N ATOM 1502 CA ALA A 93 9.658 -26.464 7.103 1.00 0.00 C ATOM 1503 C ALA A 93 10.366 -27.728 7.613 1.00 0.00 C ATOM 1504 O ALA A 93 11.431 -27.655 8.229 1.00 0.00 O ATOM 1505 CB ALA A 93 10.564 -25.243 7.227 1.00 0.00 C ATOM 0 H ALA A 93 8.458 -26.468 8.827 1.00 0.00 H new ATOM 0 HA ALA A 93 9.427 -26.608 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.490 -25.420 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.059 -24.371 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.792 -25.064 8.278 1.00 0.00 H new ATOM 1511 N HIS A 94 9.760 -28.881 7.356 1.00 0.00 N ATOM 1512 CA HIS A 94 10.314 -30.182 7.761 1.00 0.00 C ATOM 1513 C HIS A 94 10.918 -30.931 6.551 1.00 0.00 C ATOM 1514 O HIS A 94 11.178 -30.322 5.516 1.00 0.00 O ATOM 1515 CB HIS A 94 9.238 -31.042 8.430 1.00 0.00 C ATOM 1516 CG HIS A 94 8.102 -31.398 7.522 1.00 0.00 C ATOM 1517 ND1 HIS A 94 8.113 -32.524 6.725 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.923 -30.778 7.283 1.00 0.00 C ATOM 1519 CE1 HIS A 94 6.986 -32.580 6.036 1.00 0.00 C ATOM 1520 NE2 HIS A 94 6.248 -31.533 6.357 1.00 0.00 N ATOM 0 H HIS A 94 8.870 -28.948 6.861 1.00 0.00 H new ATOM 0 HA HIS A 94 11.111 -29.995 8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.697 -31.959 8.800 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.846 -30.509 9.296 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.578 -29.861 7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.715 -33.351 5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 94 5.325 -31.320 5.978 1.00 0.00 H new ATOM 1525 N GLY A 95 11.180 -32.236 6.705 1.00 0.00 N ATOM 1526 CA GLY A 95 11.828 -33.023 5.650 1.00 0.00 C ATOM 1527 C GLY A 95 11.163 -32.887 4.278 1.00 0.00 C ATOM 1528 O GLY A 95 11.848 -32.892 3.257 1.00 0.00 O ATOM 0 H GLY A 95 10.954 -32.766 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.871 -32.716 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.827 -34.073 5.941 1.00 0.00 H new ATOM 1532 N ILE A 96 9.830 -32.774 4.256 1.00 0.00 N ATOM 1533 CA ILE A 96 9.078 -32.584 3.002 1.00 0.00 C ATOM 1534 C ILE A 96 8.176 -31.326 3.058 1.00 0.00 C ATOM 1535 O ILE A 96 6.982 -31.414 3.351 1.00 0.00 O ATOM 1536 CB ILE A 96 8.209 -33.814 2.681 1.00 0.00 C ATOM 1537 CG1 ILE A 96 9.066 -35.083 2.658 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.494 -33.627 1.352 1.00 0.00 C ATOM 1539 CD1 ILE A 96 8.277 -36.348 2.413 1.00 0.00 C ATOM 0 H ILE A 96 9.246 -32.810 5.091 1.00 0.00 H new ATOM 0 HA ILE A 96 9.818 -32.450 2.213 1.00 0.00 H new ATOM 0 HB ILE A 96 7.458 -33.921 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.825 -34.983 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.592 -35.172 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.884 -34.505 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.855 -32.745 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.230 -33.496 0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.953 -37.203 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.536 -36.473 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.773 -36.281 1.449 1.00 0.00 H new ATOM 1551 N PRO A 97 8.745 -30.124 2.823 1.00 0.00 N ATOM 1552 CA PRO A 97 7.989 -28.869 2.862 1.00 0.00 C ATOM 1553 C PRO A 97 7.425 -28.433 1.491 1.00 0.00 C ATOM 1554 O PRO A 97 6.655 -27.478 1.409 1.00 0.00 O ATOM 1555 CB PRO A 97 9.060 -27.891 3.339 1.00 0.00 C ATOM 1556 CG PRO A 97 10.326 -28.364 2.684 1.00 0.00 C ATOM 1557 CD PRO A 97 10.216 -29.874 2.543 1.00 0.00 C ATOM 0 HA PRO A 97 7.100 -28.938 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.821 -26.868 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.149 -27.900 4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.455 -27.894 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.195 -28.095 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.502 -30.210 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.858 -30.396 3.252 1.00 0.00 H new ATOM 1565 N MET A 98 7.817 -29.135 0.423 1.00 0.00 N ATOM 1566 CA MET A 98 7.600 -28.665 -0.953 1.00 0.00 C ATOM 1567 C MET A 98 6.158 -28.917 -1.434 1.00 0.00 C ATOM 1568 O MET A 98 5.326 -29.446 -0.698 1.00 0.00 O ATOM 1569 CB MET A 98 8.591 -29.342 -1.896 1.00 0.00 C ATOM 1570 CG MET A 98 10.049 -28.988 -1.636 1.00 0.00 C ATOM 1571 SD MET A 98 11.171 -29.745 -2.829 1.00 0.00 S ATOM 1572 CE MET A 98 12.758 -29.276 -2.145 1.00 0.00 C ATOM 0 H MET A 98 8.289 -30.037 0.484 1.00 0.00 H new ATOM 0 HA MET A 98 7.762 -27.587 -0.960 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.472 -30.422 -1.814 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.341 -29.071 -2.922 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.167 -27.905 -1.668 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.323 -29.309 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.548 -29.530 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.771 -28.202 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.923 -29.809 -1.209 1.00 0.00 H new ATOM 1582 N ILE A 99 5.883 -28.538 -2.684 1.00 0.00 N ATOM 1583 CA ILE A 99 4.550 -28.710 -3.289 1.00 0.00 C ATOM 1584 C ILE A 99 4.070 -30.177 -3.234 1.00 0.00 C ATOM 1585 O ILE A 99 2.870 -30.444 -3.162 1.00 0.00 O ATOM 1586 CB ILE A 99 4.540 -28.236 -4.754 1.00 0.00 C ATOM 1587 CG1 ILE A 99 4.962 -26.767 -4.843 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.162 -28.434 -5.367 1.00 0.00 C ATOM 1589 CD1 ILE A 99 4.069 -25.827 -4.067 1.00 0.00 C ATOM 0 H ILE A 99 6.568 -28.106 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 99 3.866 -28.098 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 99 5.256 -28.835 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.983 -26.669 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.970 -26.464 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.172 -28.094 -6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.898 -29.491 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.427 -27.859 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.432 -24.805 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.050 -25.894 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.080 -26.103 -3.012 1.00 0.00 H new ATOM 1601 N GLY A 100 5.009 -31.124 -3.254 1.00 0.00 N ATOM 1602 CA GLY A 100 4.634 -32.535 -3.211 1.00 0.00 C ATOM 1603 C GLY A 100 5.710 -33.469 -2.647 1.00 0.00 C ATOM 1604 O GLY A 100 5.840 -33.624 -1.433 1.00 0.00 O ATOM 0 H GLY A 100 6.012 -30.945 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.731 -32.638 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.383 -32.861 -4.220 1.00 0.00 H new ATOM 1608 N GLU A 101 6.503 -34.060 -3.539 1.00 0.00 N ATOM 1609 CA GLU A 101 7.577 -34.981 -3.142 1.00 0.00 C ATOM 1610 C GLU A 101 8.949 -34.304 -2.996 1.00 0.00 C ATOM 1611 O GLU A 101 9.533 -33.831 -3.971 1.00 0.00 O ATOM 1612 CB GLU A 101 7.679 -36.123 -4.155 1.00 0.00 C ATOM 1613 CG GLU A 101 8.750 -37.156 -3.833 1.00 0.00 C ATOM 1614 CD GLU A 101 8.766 -38.262 -4.852 1.00 0.00 C ATOM 1615 OE1 GLU A 101 7.985 -38.208 -5.772 1.00 0.00 O ATOM 1616 OE2 GLU A 101 9.632 -39.101 -4.774 1.00 0.00 O ATOM 0 H GLU A 101 6.425 -33.919 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 101 7.308 -35.359 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.714 -36.625 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.882 -35.702 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.727 -36.673 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.569 -37.574 -2.843 1.00 0.00 H new ATOM 1623 N ALA A 102 9.450 -34.259 -1.766 1.00 0.00 N ATOM 1624 CA ALA A 102 10.759 -33.668 -1.481 1.00 0.00 C ATOM 1625 C ALA A 102 11.657 -34.686 -0.753 1.00 0.00 C ATOM 1626 O ALA A 102 11.598 -34.826 0.468 1.00 0.00 O ATOM 1627 CB ALA A 102 10.596 -32.395 -0.660 1.00 0.00 C ATOM 0 H ALA A 102 8.969 -34.626 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 102 11.241 -33.404 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.577 -31.966 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.995 -31.677 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.099 -32.630 0.281 1.00 0.00 H new ATOM 1633 N PRO A 103 12.494 -35.432 -1.504 1.00 0.00 N ATOM 1634 CA PRO A 103 13.385 -36.466 -0.934 1.00 0.00 C ATOM 1635 C PRO A 103 14.610 -35.887 -0.200 1.00 0.00 C ATOM 1636 O PRO A 103 15.744 -36.046 -0.653 1.00 0.00 O ATOM 1637 CB PRO A 103 13.800 -37.295 -2.154 1.00 0.00 C ATOM 1638 CG PRO A 103 13.780 -36.325 -3.285 1.00 0.00 C ATOM 1639 CD PRO A 103 12.610 -35.418 -3.013 1.00 0.00 C ATOM 0 HA PRO A 103 12.879 -37.049 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.791 -37.730 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.110 -38.121 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.711 -35.761 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.666 -36.838 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.786 -34.411 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.700 -35.783 -3.489 1.00 0.00 H new ATOM 1647 N LEU A 104 14.374 -35.207 0.931 1.00 0.00 N ATOM 1648 CA LEU A 104 15.459 -34.637 1.755 1.00 0.00 C ATOM 1649 C LEU A 104 16.368 -33.707 0.909 1.00 0.00 C ATOM 1650 O LEU A 104 17.595 -33.719 1.033 1.00 0.00 O ATOM 1651 CB LEU A 104 16.286 -35.759 2.395 1.00 0.00 C ATOM 1652 CG LEU A 104 15.494 -36.729 3.280 1.00 0.00 C ATOM 1653 CD1 LEU A 104 16.412 -37.825 3.806 1.00 0.00 C ATOM 1654 CD2 LEU A 104 14.856 -35.963 4.429 1.00 0.00 C ATOM 0 H LEU A 104 13.439 -35.036 1.300 1.00 0.00 H new ATOM 0 HA LEU A 104 15.008 -34.039 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.771 -36.329 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 104 17.077 -35.309 2.994 1.00 0.00 H new ATOM 0 HG LEU A 104 14.706 -37.198 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.840 -38.509 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.840 -38.374 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 104 17.213 -37.377 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.293 -36.653 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.634 -35.483 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.183 -35.204 4.031 1.00 0.00 H new ATOM 1666 N GLU A 105 15.745 -32.873 0.080 1.00 0.00 N ATOM 1667 CA GLU A 105 16.468 -31.903 -0.742 1.00 0.00 C ATOM 1668 C GLU A 105 16.646 -30.563 -0.010 1.00 0.00 C ATOM 1669 O GLU A 105 15.897 -29.607 -0.229 1.00 0.00 O ATOM 1670 CB GLU A 105 15.738 -31.684 -2.069 1.00 0.00 C ATOM 1671 CG GLU A 105 15.608 -32.933 -2.929 1.00 0.00 C ATOM 1672 CD GLU A 105 14.860 -32.645 -4.201 1.00 0.00 C ATOM 1673 OE1 GLU A 105 14.398 -31.542 -4.359 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.848 -33.492 -5.063 1.00 0.00 O ATOM 0 H GLU A 105 14.733 -32.849 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 105 17.459 -32.310 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.741 -31.295 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.266 -30.919 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.600 -33.318 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.090 -33.711 -2.368 1.00 0.00 H new ATOM 1681 N HIS A 106 17.634 -30.504 0.874 1.00 0.00 N ATOM 1682 CA HIS A 106 17.835 -29.333 1.725 1.00 0.00 C ATOM 1683 C HIS A 106 18.719 -28.301 1.009 1.00 0.00 C ATOM 1684 O HIS A 106 19.872 -28.092 1.385 1.00 0.00 O ATOM 1685 CB HIS A 106 18.462 -29.732 3.064 1.00 0.00 C ATOM 1686 CG HIS A 106 17.694 -30.789 3.796 1.00 0.00 C ATOM 1687 ND1 HIS A 106 16.453 -30.557 4.350 1.00 0.00 N ATOM 1688 CD2 HIS A 106 17.992 -32.083 4.066 1.00 0.00 C ATOM 1689 CE1 HIS A 106 16.019 -31.664 4.929 1.00 0.00 C ATOM 1690 NE2 HIS A 106 16.935 -32.603 4.770 1.00 0.00 N ATOM 0 H HIS A 106 18.310 -31.253 1.022 1.00 0.00 H new ATOM 0 HA HIS A 106 16.862 -28.885 1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.477 -30.089 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.540 -28.848 3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.949 -29.671 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.892 -32.607 3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.077 -31.781 5.444 1.00 0.00 H new ATOM 1695 N HIS A 107 18.177 -27.680 -0.039 1.00 0.00 N ATOM 1696 CA HIS A 107 18.954 -26.754 -0.876 1.00 0.00 C ATOM 1697 C HIS A 107 19.328 -25.476 -0.108 1.00 0.00 C ATOM 1698 O HIS A 107 18.548 -24.985 0.710 1.00 0.00 O ATOM 1699 CB HIS A 107 18.172 -26.391 -2.144 1.00 0.00 C ATOM 1700 CG HIS A 107 18.997 -25.694 -3.180 1.00 0.00 C ATOM 1701 ND1 HIS A 107 19.264 -24.341 -3.133 1.00 0.00 N ATOM 1702 CD2 HIS A 107 19.613 -26.161 -4.292 1.00 0.00 C ATOM 1703 CE1 HIS A 107 20.010 -24.007 -4.171 1.00 0.00 C ATOM 1704 NE2 HIS A 107 20.236 -25.092 -4.889 1.00 0.00 N ATOM 0 H HIS A 107 17.207 -27.798 -0.331 1.00 0.00 H new ATOM 0 HA HIS A 107 19.876 -27.262 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.755 -27.301 -2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.331 -25.753 -1.872 1.00 0.00 H new ATOM 0 HD1 HIS A 107 18.937 -23.700 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.614 -27.182 -4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.373 -23.015 -4.394 1.00 0.00 H new ATOM 1709 N HIS A 108 20.526 -24.955 -0.384 1.00 0.00 N ATOM 1710 CA HIS A 108 20.975 -23.667 0.168 1.00 0.00 C ATOM 1711 C HIS A 108 19.948 -22.534 -0.023 1.00 0.00 C ATOM 1712 O HIS A 108 19.366 -22.373 -1.097 1.00 0.00 O ATOM 1713 CB HIS A 108 22.310 -23.261 -0.465 1.00 0.00 C ATOM 1714 CG HIS A 108 22.813 -21.928 -0.006 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.337 -21.724 1.253 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.871 -20.731 -0.636 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.697 -20.459 1.377 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.425 -19.836 0.246 1.00 0.00 N ATOM 0 H HIS A 108 21.210 -25.407 -0.991 1.00 0.00 H new ATOM 0 HA HIS A 108 21.093 -23.814 1.242 1.00 0.00 H new ATOM 0 HB2 HIS A 108 23.057 -24.020 -0.234 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.198 -23.243 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.543 -20.520 -1.643 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.139 -20.011 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 108 23.598 -18.849 0.057 1.00 0.00 H new ATOM 1723 N HIS A 109 19.736 -21.763 1.041 1.00 0.00 N ATOM 1724 CA HIS A 109 18.698 -20.727 1.081 1.00 0.00 C ATOM 1725 C HIS A 109 19.045 -19.685 2.158 1.00 0.00 C ATOM 1726 O HIS A 109 19.997 -19.862 2.920 1.00 0.00 O ATOM 1727 CB HIS A 109 17.321 -21.340 1.354 1.00 0.00 C ATOM 1728 CG HIS A 109 17.219 -22.025 2.681 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.665 -23.313 2.888 1.00 0.00 N ATOM 1730 CD2 HIS A 109 16.722 -21.602 3.867 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.447 -23.653 4.147 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.875 -22.633 4.761 1.00 0.00 N ATOM 0 H HIS A 109 20.278 -21.836 1.902 1.00 0.00 H new ATOM 0 HA HIS A 109 18.659 -20.237 0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.567 -20.555 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.090 -22.057 0.566 1.00 0.00 H new ATOM 0 HD1 HIS A 109 18.095 -23.910 2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.287 -20.635 4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.695 -24.603 4.597 1.00 0.00 H new ATOM 1737 N HIS A 110 18.283 -18.600 2.220 1.00 0.00 N ATOM 1738 CA HIS A 110 18.504 -17.573 3.245 1.00 0.00 C ATOM 1739 C HIS A 110 17.187 -17.131 3.883 1.00 0.00 C ATOM 1740 O HIS A 110 16.140 -17.134 3.238 1.00 0.00 O ATOM 1741 CB HIS A 110 19.227 -16.361 2.649 1.00 0.00 C ATOM 1742 CG HIS A 110 20.603 -16.670 2.143 1.00 0.00 C ATOM 1743 ND1 HIS A 110 21.696 -16.777 2.979 1.00 0.00 N ATOM 1744 CD2 HIS A 110 21.063 -16.893 0.891 1.00 0.00 C ATOM 1745 CE1 HIS A 110 22.770 -17.055 2.259 1.00 0.00 C ATOM 1746 NE2 HIS A 110 22.412 -17.130 0.991 1.00 0.00 N ATOM 0 H HIS A 110 17.512 -18.404 1.582 1.00 0.00 H new ATOM 0 HA HIS A 110 19.130 -18.014 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.630 -15.959 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.295 -15.581 3.407 1.00 0.00 H new ATOM 0 HD1 HIS A 110 21.678 -16.660 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.479 -16.886 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 110 23.769 -17.196 2.643 1.00 0.00 H new ATOM 1751 N HIS A 111 17.261 -16.732 5.148 1.00 0.00 N ATOM 1752 CA HIS A 111 16.081 -16.295 5.899 1.00 0.00 C ATOM 1753 C HIS A 111 16.152 -14.775 6.177 1.00 0.00 C ATOM 1754 O HIS A 111 15.692 -13.991 5.322 1.00 0.00 O ATOM 1755 CB HIS A 111 15.956 -17.074 7.213 1.00 0.00 C ATOM 1756 CG HIS A 111 15.726 -18.541 7.024 1.00 0.00 C ATOM 1757 ND1 HIS A 111 14.472 -19.078 6.824 1.00 0.00 N ATOM 1758 CD2 HIS A 111 16.590 -19.584 7.004 1.00 0.00 C ATOM 1759 CE1 HIS A 111 14.575 -20.388 6.689 1.00 0.00 C ATOM 1760 NE2 HIS A 111 15.848 -20.720 6.795 1.00 0.00 N ATOM 1761 OXT HIS A 111 16.707 -14.374 7.220 1.00 0.00 O ATOM 0 H HIS A 111 18.130 -16.701 5.681 1.00 0.00 H new ATOM 0 HA HIS A 111 15.196 -16.498 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 111 16.864 -16.930 7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 111 15.133 -16.658 7.795 1.00 0.00 H new ATOM 0 HD2 HIS A 111 17.661 -19.532 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.756 -21.072 6.520 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.220 -21.668 6.732 1.00 0.00 H new TER 1766 HIS A 111