USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 7 ASN : amide:sc= 0.113 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 56 MET CE :methyl -148:sc= -1.84 (180deg=-2.91!) USER MOD Set 2.1: A 47 MET CE :methyl -146:sc= -0.163 (180deg=-0.658) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.0753 K(o=-0.41,f=-7.3!) USER MOD Set 3.2: A 106 MET CE :methyl -140:sc= -0.337 (180deg=-0.883) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= -0.0272 (180deg=-0.0779) USER MOD Single : A 5 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-0.94) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.81) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.124 USER MOD Single : A 26 TYR OH : rot 0:sc= -1.54 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.24) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 0.00709 X(o=0.0071,f=-0.26) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 56:sc= 0.0451 USER MOD Single : A 51 THR OG1 : rot 58:sc= 0.182 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.35) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 161:sc= -0.0805 (180deg=-0.467) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.5!) USER MOD Single : A 78 CYS SG : rot 174:sc= 0.475 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00466 X(o=-0.0047,f=-0.084) USER MOD Single : A 91 MET CE :methyl 168:sc= 0 (180deg=-0.265) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.945 13.183 -3.026 1.00 0.00 N ATOM 2 CA GLU A 1 -15.515 11.803 -3.385 1.00 0.00 C ATOM 3 C GLU A 1 -14.371 11.328 -2.491 1.00 0.00 C ATOM 4 O GLU A 1 -13.299 11.935 -2.468 1.00 0.00 O ATOM 5 CB GLU A 1 -15.072 11.789 -4.852 1.00 0.00 C ATOM 6 CG GLU A 1 -16.199 11.502 -5.832 1.00 0.00 C ATOM 7 CD GLU A 1 -15.789 11.715 -7.279 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.659 11.324 -7.643 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.599 12.272 -8.047 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.723 13.478 -3.650 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.269 13.200 -2.038 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.144 13.837 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.354 11.123 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.628 12.754 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.293 11.038 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.534 10.473 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.048 12.146 -5.601 1.00 0.00 H new ATOM 18 N GLN A 2 -14.603 10.238 -1.762 1.00 0.00 N ATOM 19 CA GLN A 2 -13.585 9.681 -0.872 1.00 0.00 C ATOM 20 C GLN A 2 -12.461 9.020 -1.670 1.00 0.00 C ATOM 21 O GLN A 2 -11.300 9.055 -1.261 1.00 0.00 O ATOM 22 CB GLN A 2 -14.207 8.669 0.095 1.00 0.00 C ATOM 23 CG GLN A 2 -14.657 9.282 1.413 1.00 0.00 C ATOM 24 CD GLN A 2 -13.569 9.257 2.471 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.914 8.237 2.679 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.371 10.383 3.150 1.00 0.00 N ATOM 0 H GLN A 2 -15.484 9.724 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.161 10.503 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.063 8.197 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.482 7.881 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.969 10.312 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.529 8.742 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.936 11.207 2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.654 10.422 3.874 1.00 0.00 H new ATOM 35 N LEU A 3 -12.812 8.424 -2.814 1.00 0.00 N ATOM 36 CA LEU A 3 -11.826 7.764 -3.671 1.00 0.00 C ATOM 37 C LEU A 3 -10.724 8.740 -4.090 1.00 0.00 C ATOM 38 O LEU A 3 -9.560 8.357 -4.208 1.00 0.00 O ATOM 39 CB LEU A 3 -12.500 7.174 -4.915 1.00 0.00 C ATOM 40 CG LEU A 3 -12.825 5.679 -4.836 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.609 5.238 -6.064 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.547 4.861 -4.694 1.00 0.00 C ATOM 0 H LEU A 3 -13.769 8.386 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.374 6.955 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.424 7.721 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.851 7.343 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.442 5.507 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.831 4.173 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.541 5.800 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.017 5.424 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.797 3.802 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.904 5.038 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.024 5.158 -3.785 1.00 0.00 H new ATOM 54 N LYS A 4 -11.099 10.002 -4.311 1.00 0.00 N ATOM 55 CA LYS A 4 -10.139 11.029 -4.711 1.00 0.00 C ATOM 56 C LYS A 4 -9.082 11.242 -3.628 1.00 0.00 C ATOM 57 O LYS A 4 -7.900 11.413 -3.931 1.00 0.00 O ATOM 58 CB LYS A 4 -10.856 12.348 -5.008 1.00 0.00 C ATOM 59 CG LYS A 4 -11.758 12.293 -6.233 1.00 0.00 C ATOM 60 CD LYS A 4 -11.582 13.520 -7.114 1.00 0.00 C ATOM 61 CE LYS A 4 -10.555 13.280 -8.211 1.00 0.00 C ATOM 62 NZ LYS A 4 -9.183 13.075 -7.662 1.00 0.00 N ATOM 0 H LYS A 4 -12.059 10.335 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.640 10.686 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.453 12.630 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.112 13.131 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.535 11.395 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.798 12.218 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.539 13.787 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.270 14.366 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.846 12.406 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.549 14.130 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.503 13.000 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.927 13.882 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.161 12.200 -7.100 1.00 0.00 H new ATOM 76 N HIS A 5 -9.514 11.224 -2.366 1.00 0.00 N ATOM 77 CA HIS A 5 -8.604 11.409 -1.236 1.00 0.00 C ATOM 78 C HIS A 5 -7.576 10.279 -1.172 1.00 0.00 C ATOM 79 O HIS A 5 -6.408 10.512 -0.859 1.00 0.00 O ATOM 80 CB HIS A 5 -9.386 11.475 0.079 1.00 0.00 C ATOM 81 CG HIS A 5 -10.400 12.578 0.120 1.00 0.00 C ATOM 82 ND1 HIS A 5 -11.678 12.408 0.611 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.320 13.871 -0.276 1.00 0.00 C ATOM 84 CE1 HIS A 5 -12.340 13.548 0.513 1.00 0.00 C ATOM 85 NE2 HIS A 5 -11.537 14.451 -0.021 1.00 0.00 N ATOM 0 H HIS A 5 -10.489 11.083 -2.101 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.076 12.351 -1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.891 10.523 0.240 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.685 11.607 0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.458 14.355 -0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.363 13.713 0.818 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.782 15.422 -0.213 1.00 0.00 H new ATOM 94 N CYS A 6 -8.017 9.057 -1.477 1.00 0.00 N ATOM 95 CA CYS A 6 -7.131 7.894 -1.461 1.00 0.00 C ATOM 96 C CYS A 6 -5.991 8.066 -2.463 1.00 0.00 C ATOM 97 O CYS A 6 -4.842 7.728 -2.170 1.00 0.00 O ATOM 98 CB CYS A 6 -7.915 6.617 -1.779 1.00 0.00 C ATOM 99 SG CYS A 6 -7.086 5.093 -1.268 1.00 0.00 S ATOM 0 H CYS A 6 -8.981 8.848 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.706 7.809 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.888 6.670 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.099 6.575 -2.852 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.827 4.071 -1.579 1.00 0.00 H new ATOM 105 N ASN A 7 -6.316 8.599 -3.643 1.00 0.00 N ATOM 106 CA ASN A 7 -5.320 8.823 -4.689 1.00 0.00 C ATOM 107 C ASN A 7 -4.206 9.749 -4.200 1.00 0.00 C ATOM 108 O ASN A 7 -3.046 9.591 -4.583 1.00 0.00 O ATOM 109 CB ASN A 7 -5.980 9.416 -5.938 1.00 0.00 C ATOM 110 CG ASN A 7 -6.433 8.347 -6.915 1.00 0.00 C ATOM 111 OD1 ASN A 7 -5.696 7.972 -7.827 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.651 7.849 -6.729 1.00 0.00 N ATOM 0 H ASN A 7 -7.262 8.883 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.879 7.859 -4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.837 10.020 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.277 10.084 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.008 7.127 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.229 8.189 -5.960 1.00 0.00 H new ATOM 119 N VAL A 8 -4.564 10.711 -3.347 1.00 0.00 N ATOM 120 CA VAL A 8 -3.591 11.656 -2.803 1.00 0.00 C ATOM 121 C VAL A 8 -2.498 10.925 -2.023 1.00 0.00 C ATOM 122 O VAL A 8 -1.313 11.226 -2.170 1.00 0.00 O ATOM 123 CB VAL A 8 -4.260 12.701 -1.880 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.265 13.782 -1.484 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.481 13.315 -2.554 1.00 0.00 C ATOM 0 H VAL A 8 -5.519 10.855 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.148 12.175 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.592 12.192 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.755 14.507 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.427 13.329 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.899 14.285 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.935 14.047 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.178 13.806 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.204 12.532 -2.780 1.00 0.00 H new ATOM 135 N ILE A 9 -2.905 9.957 -1.202 1.00 0.00 N ATOM 136 CA ILE A 9 -1.958 9.178 -0.408 1.00 0.00 C ATOM 137 C ILE A 9 -1.050 8.342 -1.312 1.00 0.00 C ATOM 138 O ILE A 9 0.152 8.232 -1.066 1.00 0.00 O ATOM 139 CB ILE A 9 -2.681 8.251 0.595 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.694 9.046 1.428 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.671 7.558 1.501 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.500 8.190 2.382 1.00 0.00 C ATOM 0 H ILE A 9 -3.882 9.695 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.352 9.889 0.155 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.221 7.489 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.164 9.809 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.376 9.566 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.196 6.909 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.988 6.962 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.105 8.307 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.195 8.820 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.058 7.443 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.827 7.690 3.079 1.00 0.00 H new ATOM 154 N LEU A 10 -1.631 7.764 -2.367 1.00 0.00 N ATOM 155 CA LEU A 10 -0.867 6.950 -3.313 1.00 0.00 C ATOM 156 C LEU A 10 0.179 7.796 -4.038 1.00 0.00 C ATOM 157 O LEU A 10 1.302 7.345 -4.266 1.00 0.00 O ATOM 158 CB LEU A 10 -1.800 6.288 -4.334 1.00 0.00 C ATOM 159 CG LEU A 10 -1.422 4.854 -4.727 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.144 3.848 -3.841 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.738 4.599 -6.197 1.00 0.00 C ATOM 0 H LEU A 10 -2.624 7.845 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.355 6.172 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.812 6.282 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.821 6.901 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.349 4.730 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.863 2.837 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.865 4.014 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.221 3.972 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.463 3.577 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.805 4.743 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.173 5.295 -6.817 1.00 0.00 H new ATOM 173 N LYS A 11 -0.198 9.028 -4.398 1.00 0.00 N ATOM 174 CA LYS A 11 0.706 9.940 -5.095 1.00 0.00 C ATOM 175 C LYS A 11 1.968 10.204 -4.271 1.00 0.00 C ATOM 176 O LYS A 11 3.056 10.341 -4.827 1.00 0.00 O ATOM 177 CB LYS A 11 0.000 11.263 -5.409 1.00 0.00 C ATOM 178 CG LYS A 11 -0.711 11.272 -6.755 1.00 0.00 C ATOM 179 CD LYS A 11 -1.077 12.685 -7.185 1.00 0.00 C ATOM 180 CE LYS A 11 -2.060 12.679 -8.348 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.156 13.674 -8.162 1.00 0.00 N ATOM 0 H LYS A 11 -1.125 9.414 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 11 1.000 9.465 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.726 11.473 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.733 12.069 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.070 10.816 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.614 10.664 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.513 13.221 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.174 13.224 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.527 12.896 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.490 11.683 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.802 13.636 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.682 13.453 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.749 14.628 -8.087 1.00 0.00 H new ATOM 195 N GLU A 12 1.818 10.267 -2.946 1.00 0.00 N ATOM 196 CA GLU A 12 2.954 10.504 -2.054 1.00 0.00 C ATOM 197 C GLU A 12 3.922 9.320 -2.076 1.00 0.00 C ATOM 198 O GLU A 12 5.141 9.503 -2.056 1.00 0.00 O ATOM 199 CB GLU A 12 2.469 10.751 -0.622 1.00 0.00 C ATOM 200 CG GLU A 12 3.551 11.285 0.306 1.00 0.00 C ATOM 201 CD GLU A 12 3.636 12.800 0.295 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.071 13.364 -0.731 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.266 13.421 1.314 1.00 0.00 O ATOM 0 H GLU A 12 0.923 10.157 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 12 3.480 11.390 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.641 11.459 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.080 9.818 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.353 10.944 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.514 10.869 0.012 1.00 0.00 H new ATOM 210 N LEU A 13 3.369 8.106 -2.118 1.00 0.00 N ATOM 211 CA LEU A 13 4.177 6.886 -2.145 1.00 0.00 C ATOM 212 C LEU A 13 5.012 6.801 -3.427 1.00 0.00 C ATOM 213 O LEU A 13 6.157 6.349 -3.400 1.00 0.00 O ATOM 214 CB LEU A 13 3.276 5.650 -2.020 1.00 0.00 C ATOM 215 CG LEU A 13 2.547 5.508 -0.678 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.202 4.818 -0.868 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.406 4.740 0.319 1.00 0.00 C ATOM 0 H LEU A 13 2.362 7.942 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 13 4.861 6.917 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.534 5.679 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.883 4.759 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 13 2.367 6.506 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.701 4.727 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.583 5.407 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.359 3.826 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.872 4.649 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.619 3.746 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.342 5.275 0.480 1.00 0.00 H new ATOM 229 N LEU A 14 4.430 7.237 -4.547 1.00 0.00 N ATOM 230 CA LEU A 14 5.117 7.211 -5.842 1.00 0.00 C ATOM 231 C LEU A 14 5.858 8.527 -6.128 1.00 0.00 C ATOM 232 O LEU A 14 6.693 8.585 -7.031 1.00 0.00 O ATOM 233 CB LEU A 14 4.108 6.937 -6.965 1.00 0.00 C ATOM 234 CG LEU A 14 4.571 5.950 -8.042 1.00 0.00 C ATOM 235 CD1 LEU A 14 3.372 5.259 -8.676 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.398 6.659 -9.105 1.00 0.00 C ATOM 0 H LEU A 14 3.483 7.613 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 14 5.857 6.412 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.189 6.556 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.861 7.883 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 14 5.199 5.196 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.716 4.561 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.818 4.716 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.722 6.005 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.716 5.939 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.796 7.436 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.275 7.111 -8.642 1.00 0.00 H new ATOM 248 N SER A 15 5.538 9.582 -5.371 1.00 0.00 N ATOM 249 CA SER A 15 6.163 10.895 -5.561 1.00 0.00 C ATOM 250 C SER A 15 7.691 10.815 -5.487 1.00 0.00 C ATOM 251 O SER A 15 8.371 10.893 -6.511 1.00 0.00 O ATOM 252 CB SER A 15 5.629 11.889 -4.521 1.00 0.00 C ATOM 253 OG SER A 15 6.418 13.068 -4.477 1.00 0.00 O ATOM 0 H SER A 15 4.849 9.552 -4.620 1.00 0.00 H new ATOM 0 HA SER A 15 5.902 11.245 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.598 12.149 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.620 11.419 -3.538 1.00 0.00 H new ATOM 0 HG SER A 15 6.052 13.682 -3.807 1.00 0.00 H new ATOM 259 N LYS A 16 8.223 10.661 -4.274 1.00 0.00 N ATOM 260 CA LYS A 16 9.672 10.570 -4.069 1.00 0.00 C ATOM 261 C LYS A 16 10.011 10.381 -2.589 1.00 0.00 C ATOM 262 O LYS A 16 10.912 9.613 -2.247 1.00 0.00 O ATOM 263 CB LYS A 16 10.391 11.814 -4.620 1.00 0.00 C ATOM 264 CG LYS A 16 10.005 13.118 -3.932 1.00 0.00 C ATOM 265 CD LYS A 16 10.945 13.444 -2.777 1.00 0.00 C ATOM 266 CE LYS A 16 11.242 14.935 -2.693 1.00 0.00 C ATOM 267 NZ LYS A 16 11.181 15.439 -1.291 1.00 0.00 N ATOM 0 H LYS A 16 7.673 10.596 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 16 10.022 9.696 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.467 11.670 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.176 11.901 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.023 13.932 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.983 13.045 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.500 13.109 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.878 12.894 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.231 15.131 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.526 15.482 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.389 16.458 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.229 15.276 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.882 14.936 -0.710 1.00 0.00 H new ATOM 281 N LYS A 17 9.282 11.082 -1.715 1.00 0.00 N ATOM 282 CA LYS A 17 9.500 10.986 -0.273 1.00 0.00 C ATOM 283 C LYS A 17 9.474 9.528 0.190 1.00 0.00 C ATOM 284 O LYS A 17 10.294 9.117 1.013 1.00 0.00 O ATOM 285 CB LYS A 17 8.438 11.799 0.474 1.00 0.00 C ATOM 286 CG LYS A 17 8.613 11.794 1.984 1.00 0.00 C ATOM 287 CD LYS A 17 7.904 12.973 2.633 1.00 0.00 C ATOM 288 CE LYS A 17 8.870 14.109 2.932 1.00 0.00 C ATOM 289 NZ LYS A 17 8.166 15.314 3.456 1.00 0.00 N ATOM 0 H LYS A 17 8.535 11.722 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 17 10.485 11.395 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.465 12.829 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.452 11.403 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.221 10.863 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.675 11.828 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.113 13.331 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.426 12.648 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.609 13.775 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.413 14.372 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.859 16.065 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.479 15.648 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.668 15.070 4.336 1.00 0.00 H new ATOM 303 N HIS A 18 8.533 8.750 -0.349 1.00 0.00 N ATOM 304 CA HIS A 18 8.407 7.336 0.005 1.00 0.00 C ATOM 305 C HIS A 18 8.558 6.436 -1.226 1.00 0.00 C ATOM 306 O HIS A 18 8.075 5.302 -1.239 1.00 0.00 O ATOM 307 CB HIS A 18 7.057 7.080 0.678 1.00 0.00 C ATOM 308 CG HIS A 18 6.808 7.960 1.863 1.00 0.00 C ATOM 309 ND1 HIS A 18 5.650 8.688 2.030 1.00 0.00 N ATOM 310 CD2 HIS A 18 7.580 8.230 2.941 1.00 0.00 C ATOM 311 CE1 HIS A 18 5.721 9.370 3.159 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.882 9.108 3.731 1.00 0.00 N ATOM 0 H HIS A 18 7.848 9.075 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 18 9.209 7.092 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.261 7.231 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.008 6.037 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.562 7.829 3.142 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.959 10.029 3.548 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.207 9.496 4.617 1.00 0.00 H new ATOM 321 N ALA A 19 9.242 6.942 -2.257 1.00 0.00 N ATOM 322 CA ALA A 19 9.465 6.178 -3.483 1.00 0.00 C ATOM 323 C ALA A 19 10.464 5.047 -3.254 1.00 0.00 C ATOM 324 O ALA A 19 10.372 3.996 -3.890 1.00 0.00 O ATOM 325 CB ALA A 19 9.951 7.085 -4.602 1.00 0.00 C ATOM 0 H ALA A 19 9.650 7.877 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 19 8.511 5.739 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.111 6.495 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.203 7.854 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.888 7.557 -4.307 1.00 0.00 H new ATOM 331 N ALA A 20 11.414 5.267 -2.339 1.00 0.00 N ATOM 332 CA ALA A 20 12.428 4.261 -2.022 1.00 0.00 C ATOM 333 C ALA A 20 11.788 2.950 -1.566 1.00 0.00 C ATOM 334 O ALA A 20 12.335 1.872 -1.796 1.00 0.00 O ATOM 335 CB ALA A 20 13.385 4.783 -0.958 1.00 0.00 C ATOM 0 H ALA A 20 11.500 6.133 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 20 12.992 4.060 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.132 4.021 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.881 5.682 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.827 5.020 -0.052 1.00 0.00 H new ATOM 341 N TYR A 21 10.622 3.052 -0.927 1.00 0.00 N ATOM 342 CA TYR A 21 9.897 1.876 -0.450 1.00 0.00 C ATOM 343 C TYR A 21 8.783 1.480 -1.430 1.00 0.00 C ATOM 344 O TYR A 21 8.162 0.423 -1.283 1.00 0.00 O ATOM 345 CB TYR A 21 9.295 2.147 0.935 1.00 0.00 C ATOM 346 CG TYR A 21 10.229 2.866 1.886 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.383 4.246 1.829 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.954 2.164 2.839 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.237 4.904 2.691 1.00 0.00 C ATOM 350 CE2 TYR A 21 11.809 2.815 3.707 1.00 0.00 C ATOM 351 CZ TYR A 21 11.947 4.184 3.630 1.00 0.00 C ATOM 352 OH TYR A 21 12.801 4.835 4.492 1.00 0.00 O ATOM 0 H TYR A 21 10.160 3.939 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 21 10.606 1.051 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.388 2.740 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.998 1.198 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.825 4.813 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.848 1.091 2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.349 5.977 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.367 2.254 4.442 1.00 0.00 H new ATOM 0 HH TYR A 21 12.469 5.742 4.658 1.00 0.00 H new ATOM 362 N ALA A 22 8.532 2.334 -2.430 1.00 0.00 N ATOM 363 CA ALA A 22 7.495 2.080 -3.424 1.00 0.00 C ATOM 364 C ALA A 22 7.977 1.161 -4.545 1.00 0.00 C ATOM 365 O ALA A 22 7.270 0.228 -4.920 1.00 0.00 O ATOM 366 CB ALA A 22 6.992 3.393 -4.008 1.00 0.00 C ATOM 0 H ALA A 22 9.038 3.209 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 22 6.679 1.570 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.218 3.189 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.578 4.011 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.819 3.920 -4.483 1.00 0.00 H new ATOM 372 N TRP A 23 9.170 1.427 -5.091 1.00 0.00 N ATOM 373 CA TRP A 23 9.703 0.606 -6.182 1.00 0.00 C ATOM 374 C TRP A 23 9.905 -0.862 -5.769 1.00 0.00 C ATOM 375 O TRP A 23 9.692 -1.758 -6.587 1.00 0.00 O ATOM 376 CB TRP A 23 11.006 1.194 -6.748 1.00 0.00 C ATOM 377 CG TRP A 23 12.144 1.234 -5.776 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.563 2.311 -5.054 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.018 0.152 -5.430 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.633 1.965 -4.268 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.935 0.645 -4.483 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.110 -1.186 -5.823 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.932 -0.152 -3.926 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.099 -1.976 -5.271 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.998 -1.458 -4.331 1.00 0.00 C ATOM 0 H TRP A 23 9.776 2.194 -4.799 1.00 0.00 H new ATOM 0 HA TRP A 23 8.951 0.620 -6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.307 0.608 -7.616 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.810 2.207 -7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.118 3.294 -5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.124 2.589 -3.628 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.420 -1.595 -6.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.627 0.245 -3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.180 -3.011 -5.569 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.759 -2.102 -3.917 1.00 0.00 H new ATOM 396 N PRO A 24 10.304 -1.147 -4.505 1.00 0.00 N ATOM 397 CA PRO A 24 10.505 -2.524 -4.041 1.00 0.00 C ATOM 398 C PRO A 24 9.186 -3.285 -3.943 1.00 0.00 C ATOM 399 O PRO A 24 9.078 -4.418 -4.414 1.00 0.00 O ATOM 400 CB PRO A 24 11.137 -2.371 -2.650 1.00 0.00 C ATOM 401 CG PRO A 24 11.507 -0.931 -2.529 1.00 0.00 C ATOM 402 CD PRO A 24 10.576 -0.180 -3.433 1.00 0.00 C ATOM 0 HA PRO A 24 11.128 -3.094 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.436 -2.662 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.014 -3.010 -2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.408 -0.589 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.545 -0.770 -2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.663 0.117 -2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.035 0.731 -3.818 1.00 0.00 H new ATOM 410 N PHE A 25 8.182 -2.650 -3.333 1.00 0.00 N ATOM 411 CA PHE A 25 6.865 -3.268 -3.180 1.00 0.00 C ATOM 412 C PHE A 25 6.007 -3.100 -4.442 1.00 0.00 C ATOM 413 O PHE A 25 4.875 -3.585 -4.494 1.00 0.00 O ATOM 414 CB PHE A 25 6.138 -2.672 -1.971 1.00 0.00 C ATOM 415 CG PHE A 25 6.614 -3.222 -0.654 1.00 0.00 C ATOM 416 CD1 PHE A 25 7.707 -2.666 -0.006 1.00 0.00 C ATOM 417 CD2 PHE A 25 5.968 -4.299 -0.066 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.146 -3.174 1.202 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.403 -4.809 1.143 1.00 0.00 C ATOM 420 CZ PHE A 25 7.493 -4.246 1.777 1.00 0.00 C ATOM 0 H PHE A 25 8.256 -1.712 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 25 7.019 -4.335 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.272 -1.590 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.069 -2.861 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.221 -1.827 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.116 -4.744 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.999 -2.733 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.891 -5.647 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.834 -4.644 2.721 1.00 0.00 H new ATOM 430 N TYR A 26 6.546 -2.414 -5.456 1.00 0.00 N ATOM 431 CA TYR A 26 5.824 -2.189 -6.705 1.00 0.00 C ATOM 432 C TYR A 26 5.745 -3.469 -7.534 1.00 0.00 C ATOM 433 O TYR A 26 4.653 -3.937 -7.863 1.00 0.00 O ATOM 434 CB TYR A 26 6.508 -1.091 -7.523 1.00 0.00 C ATOM 435 CG TYR A 26 5.548 -0.105 -8.151 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.635 -0.513 -9.116 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.561 1.233 -7.782 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.761 0.387 -9.695 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.692 2.139 -8.357 1.00 0.00 C ATOM 440 CZ TYR A 26 3.793 1.711 -9.312 1.00 0.00 C ATOM 441 OH TYR A 26 2.925 2.610 -9.889 1.00 0.00 O ATOM 0 H TYR A 26 7.481 -2.006 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 26 4.811 -1.876 -6.452 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.200 -0.549 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.103 -1.555 -8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.608 -1.550 -9.418 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.262 1.571 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.057 0.055 -10.443 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.716 3.177 -8.061 1.00 0.00 H new ATOM 0 HH TYR A 26 2.362 2.147 -10.544 1.00 0.00 H new ATOM 451 N LYS A 27 6.910 -4.023 -7.874 1.00 0.00 N ATOM 452 CA LYS A 27 6.981 -5.245 -8.674 1.00 0.00 C ATOM 453 C LYS A 27 6.254 -6.404 -7.988 1.00 0.00 C ATOM 454 O LYS A 27 6.340 -6.569 -6.769 1.00 0.00 O ATOM 455 CB LYS A 27 8.441 -5.630 -8.948 1.00 0.00 C ATOM 456 CG LYS A 27 9.259 -5.892 -7.692 1.00 0.00 C ATOM 457 CD LYS A 27 9.405 -7.381 -7.423 1.00 0.00 C ATOM 458 CE LYS A 27 10.389 -7.651 -6.296 1.00 0.00 C ATOM 459 NZ LYS A 27 10.803 -9.081 -6.250 1.00 0.00 N ATOM 0 H LYS A 27 7.818 -3.643 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 27 6.484 -5.045 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.459 -6.522 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.916 -4.831 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.246 -5.442 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.781 -5.412 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.433 -7.802 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.742 -7.884 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.270 -7.022 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.936 -7.374 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.474 -9.223 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.966 -9.680 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.259 -9.340 -7.148 1.00 0.00 H new ATOM 473 N PRO A 28 5.527 -7.223 -8.772 1.00 0.00 N ATOM 474 CA PRO A 28 4.784 -8.371 -8.247 1.00 0.00 C ATOM 475 C PRO A 28 5.675 -9.594 -8.029 1.00 0.00 C ATOM 476 O PRO A 28 6.900 -9.513 -8.152 1.00 0.00 O ATOM 477 CB PRO A 28 3.765 -8.640 -9.354 1.00 0.00 C ATOM 478 CG PRO A 28 4.460 -8.235 -10.608 1.00 0.00 C ATOM 479 CD PRO A 28 5.374 -7.094 -10.237 1.00 0.00 C ATOM 0 HA PRO A 28 4.344 -8.171 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.477 -9.691 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.853 -8.063 -9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.027 -9.068 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.742 -7.927 -11.368 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.334 -7.169 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.942 -6.131 -10.510 1.00 0.00 H new ATOM 487 N VAL A 29 5.050 -10.726 -7.713 1.00 0.00 N ATOM 488 CA VAL A 29 5.778 -11.969 -7.489 1.00 0.00 C ATOM 489 C VAL A 29 5.599 -12.907 -8.682 1.00 0.00 C ATOM 490 O VAL A 29 4.659 -13.706 -8.725 1.00 0.00 O ATOM 491 CB VAL A 29 5.312 -12.673 -6.196 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.221 -13.849 -5.867 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.262 -11.685 -5.035 1.00 0.00 C ATOM 0 H VAL A 29 4.039 -10.806 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 29 6.833 -11.720 -7.377 1.00 0.00 H new ATOM 0 HB VAL A 29 4.305 -13.058 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.875 -14.331 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.198 -14.567 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.241 -13.492 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.931 -12.200 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.255 -11.266 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.564 -10.882 -5.271 1.00 0.00 H new ATOM 503 N ASP A 30 6.500 -12.788 -9.659 1.00 0.00 N ATOM 504 CA ASP A 30 6.446 -13.606 -10.872 1.00 0.00 C ATOM 505 C ASP A 30 6.866 -15.051 -10.589 1.00 0.00 C ATOM 506 O ASP A 30 7.983 -15.460 -10.911 1.00 0.00 O ATOM 507 CB ASP A 30 7.343 -13.001 -11.957 1.00 0.00 C ATOM 508 CG ASP A 30 6.876 -11.626 -12.399 1.00 0.00 C ATOM 509 OD1 ASP A 30 6.960 -10.679 -11.587 1.00 0.00 O ATOM 510 OD2 ASP A 30 6.429 -11.496 -13.557 1.00 0.00 O ATOM 0 H ASP A 30 7.279 -12.130 -9.633 1.00 0.00 H new ATOM 0 HA ASP A 30 5.414 -13.617 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.364 -12.931 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.365 -13.668 -12.819 1.00 0.00 H new ATOM 515 N ALA A 31 5.959 -15.818 -9.987 1.00 0.00 N ATOM 516 CA ALA A 31 6.226 -17.216 -9.661 1.00 0.00 C ATOM 517 C ALA A 31 6.243 -18.091 -10.914 1.00 0.00 C ATOM 518 O ALA A 31 7.040 -19.023 -11.015 1.00 0.00 O ATOM 519 CB ALA A 31 5.195 -17.733 -8.667 1.00 0.00 C ATOM 0 H ALA A 31 5.031 -15.493 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 31 7.215 -17.269 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.406 -18.776 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.241 -17.140 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.199 -17.653 -9.102 1.00 0.00 H new ATOM 525 N SER A 32 5.360 -17.789 -11.868 1.00 0.00 N ATOM 526 CA SER A 32 5.287 -18.560 -13.109 1.00 0.00 C ATOM 527 C SER A 32 6.569 -18.417 -13.931 1.00 0.00 C ATOM 528 O SER A 32 7.018 -19.377 -14.558 1.00 0.00 O ATOM 529 CB SER A 32 4.083 -18.125 -13.951 1.00 0.00 C ATOM 530 OG SER A 32 3.442 -19.246 -14.538 1.00 0.00 O ATOM 0 H SER A 32 4.691 -17.022 -11.806 1.00 0.00 H new ATOM 0 HA SER A 32 5.169 -19.608 -12.833 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.374 -17.582 -13.325 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.410 -17.438 -14.732 1.00 0.00 H new ATOM 0 HG SER A 32 2.676 -18.944 -15.069 1.00 0.00 H new ATOM 536 N ALA A 33 7.148 -17.215 -13.928 1.00 0.00 N ATOM 537 CA ALA A 33 8.373 -16.949 -14.680 1.00 0.00 C ATOM 538 C ALA A 33 9.589 -17.619 -14.039 1.00 0.00 C ATOM 539 O ALA A 33 10.238 -18.460 -14.661 1.00 0.00 O ATOM 540 CB ALA A 33 8.598 -15.448 -14.810 1.00 0.00 C ATOM 0 H ALA A 33 6.788 -16.412 -13.413 1.00 0.00 H new ATOM 0 HA ALA A 33 8.250 -17.377 -15.675 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.514 -15.265 -15.372 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.755 -14.998 -15.333 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.687 -15.006 -13.818 1.00 0.00 H new ATOM 546 N LEU A 34 9.900 -17.238 -12.798 1.00 0.00 N ATOM 547 CA LEU A 34 11.049 -17.804 -12.089 1.00 0.00 C ATOM 548 C LEU A 34 10.689 -19.124 -11.404 1.00 0.00 C ATOM 549 O LEU A 34 11.226 -20.176 -11.757 1.00 0.00 O ATOM 550 CB LEU A 34 11.595 -16.806 -11.062 1.00 0.00 C ATOM 551 CG LEU A 34 13.101 -16.911 -10.800 1.00 0.00 C ATOM 552 CD1 LEU A 34 13.870 -15.939 -11.683 1.00 0.00 C ATOM 553 CD2 LEU A 34 13.408 -16.656 -9.331 1.00 0.00 C ATOM 0 H LEU A 34 9.375 -16.544 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 34 11.824 -18.008 -12.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.370 -15.796 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.066 -16.950 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 34 13.420 -17.923 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.937 -16.030 -11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.678 -16.170 -12.731 1.00 0.00 H new ATOM 0 HD13 LEU A 34 13.546 -14.920 -11.471 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.482 -16.735 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.071 -15.656 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.891 -17.394 -8.718 1.00 0.00 H new ATOM 565 N GLY A 35 9.782 -19.066 -10.427 1.00 0.00 N ATOM 566 CA GLY A 35 9.377 -20.268 -9.716 1.00 0.00 C ATOM 567 C GLY A 35 8.605 -19.965 -8.445 1.00 0.00 C ATOM 568 O GLY A 35 7.377 -19.874 -8.467 1.00 0.00 O ATOM 0 H GLY A 35 9.323 -18.210 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.761 -20.883 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.262 -20.854 -9.468 1.00 0.00 H new ATOM 572 N LEU A 36 9.331 -19.808 -7.335 1.00 0.00 N ATOM 573 CA LEU A 36 8.724 -19.509 -6.035 1.00 0.00 C ATOM 574 C LEU A 36 7.479 -20.368 -5.777 1.00 0.00 C ATOM 575 O LEU A 36 6.414 -19.849 -5.432 1.00 0.00 O ATOM 576 CB LEU A 36 8.371 -18.018 -5.945 1.00 0.00 C ATOM 577 CG LEU A 36 9.384 -17.152 -5.188 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.559 -16.791 -6.085 1.00 0.00 C ATOM 579 CD2 LEU A 36 8.714 -15.894 -4.654 1.00 0.00 C ATOM 0 H LEU A 36 10.348 -19.884 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 36 9.456 -19.751 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.265 -17.625 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.399 -17.920 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 36 9.763 -17.727 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.266 -16.176 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.055 -17.702 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.199 -16.236 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.447 -15.290 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.307 -15.318 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.908 -16.171 -3.975 1.00 0.00 H new ATOM 591 N HIS A 37 7.621 -21.685 -5.936 1.00 0.00 N ATOM 592 CA HIS A 37 6.506 -22.605 -5.708 1.00 0.00 C ATOM 593 C HIS A 37 6.051 -22.548 -4.251 1.00 0.00 C ATOM 594 O HIS A 37 4.853 -22.598 -3.964 1.00 0.00 O ATOM 595 CB HIS A 37 6.895 -24.041 -6.079 1.00 0.00 C ATOM 596 CG HIS A 37 5.960 -24.683 -7.060 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.950 -26.039 -7.314 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.999 -24.148 -7.854 1.00 0.00 C ATOM 599 CE1 HIS A 37 5.027 -26.309 -8.221 1.00 0.00 C ATOM 600 NE2 HIS A 37 4.437 -25.179 -8.564 1.00 0.00 N ATOM 0 H HIS A 37 8.491 -22.136 -6.220 1.00 0.00 H new ATOM 0 HA HIS A 37 5.680 -22.294 -6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.902 -24.039 -6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.928 -24.645 -5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.727 -23.105 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.795 -27.288 -8.614 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.685 -25.087 -9.247 1.00 0.00 H new ATOM 609 N ASP A 38 7.017 -22.434 -3.335 1.00 0.00 N ATOM 610 CA ASP A 38 6.721 -22.360 -1.905 1.00 0.00 C ATOM 611 C ASP A 38 5.879 -21.125 -1.582 1.00 0.00 C ATOM 612 O ASP A 38 5.025 -21.167 -0.698 1.00 0.00 O ATOM 613 CB ASP A 38 8.019 -22.337 -1.086 1.00 0.00 C ATOM 614 CG ASP A 38 7.904 -23.076 0.241 1.00 0.00 C ATOM 615 OD1 ASP A 38 6.910 -23.806 0.444 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.816 -22.920 1.081 1.00 0.00 O ATOM 0 H ASP A 38 8.011 -22.391 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 38 6.149 -23.248 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.820 -22.783 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.302 -21.302 -0.895 1.00 0.00 H new ATOM 621 N TYR A 39 6.123 -20.030 -2.306 1.00 0.00 N ATOM 622 CA TYR A 39 5.382 -18.787 -2.096 1.00 0.00 C ATOM 623 C TYR A 39 3.881 -18.999 -2.293 1.00 0.00 C ATOM 624 O TYR A 39 3.070 -18.471 -1.535 1.00 0.00 O ATOM 625 CB TYR A 39 5.883 -17.695 -3.044 1.00 0.00 C ATOM 626 CG TYR A 39 5.553 -16.291 -2.582 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.417 -15.593 -1.748 1.00 0.00 C ATOM 628 CD2 TYR A 39 4.379 -15.663 -2.983 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.122 -14.310 -1.326 1.00 0.00 C ATOM 630 CE2 TYR A 39 4.077 -14.381 -2.565 1.00 0.00 C ATOM 631 CZ TYR A 39 4.951 -13.709 -1.737 1.00 0.00 C ATOM 632 OH TYR A 39 4.654 -12.432 -1.321 1.00 0.00 O ATOM 0 H TYR A 39 6.828 -19.980 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 39 5.552 -18.470 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.964 -17.788 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.448 -17.855 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.335 -16.061 -1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.692 -16.186 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.805 -13.781 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.161 -13.908 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 39 3.794 -12.156 -1.701 1.00 0.00 H new ATOM 642 N HIS A 40 3.514 -19.778 -3.312 1.00 0.00 N ATOM 643 CA HIS A 40 2.105 -20.055 -3.591 1.00 0.00 C ATOM 644 C HIS A 40 1.510 -20.989 -2.534 1.00 0.00 C ATOM 645 O HIS A 40 0.324 -20.897 -2.214 1.00 0.00 O ATOM 646 CB HIS A 40 1.943 -20.671 -4.983 1.00 0.00 C ATOM 647 CG HIS A 40 0.598 -20.418 -5.595 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.574 -20.940 -5.084 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.240 -19.692 -6.680 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.591 -20.547 -5.830 1.00 0.00 C ATOM 651 NE2 HIS A 40 -1.124 -19.788 -6.803 1.00 0.00 N ATOM 0 H HIS A 40 4.169 -20.225 -3.954 1.00 0.00 H new ATOM 0 HA HIS A 40 1.566 -19.108 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.714 -20.270 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.107 -21.747 -4.917 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.644 -21.536 -4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.904 -19.140 -7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.628 -20.803 -5.671 1.00 0.00 H new ATOM 660 N ASP A 41 2.338 -21.886 -1.997 1.00 0.00 N ATOM 661 CA ASP A 41 1.889 -22.832 -0.977 1.00 0.00 C ATOM 662 C ASP A 41 1.767 -22.159 0.391 1.00 0.00 C ATOM 663 O ASP A 41 0.842 -22.449 1.150 1.00 0.00 O ATOM 664 CB ASP A 41 2.853 -24.020 -0.890 1.00 0.00 C ATOM 665 CG ASP A 41 2.433 -25.170 -1.784 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.481 -25.891 -1.418 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.056 -25.350 -2.851 1.00 0.00 O ATOM 0 H ASP A 41 3.322 -21.977 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 41 0.902 -23.191 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.855 -23.693 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.907 -24.366 0.142 1.00 0.00 H new ATOM 672 N ILE A 42 2.705 -21.262 0.702 1.00 0.00 N ATOM 673 CA ILE A 42 2.699 -20.557 1.982 1.00 0.00 C ATOM 674 C ILE A 42 1.824 -19.304 1.931 1.00 0.00 C ATOM 675 O ILE A 42 0.952 -19.114 2.780 1.00 0.00 O ATOM 676 CB ILE A 42 4.124 -20.152 2.421 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.069 -21.356 2.372 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.098 -19.555 3.822 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.529 -20.974 2.269 1.00 0.00 C ATOM 0 H ILE A 42 3.477 -21.008 0.085 1.00 0.00 H new ATOM 0 HA ILE A 42 2.286 -21.255 2.710 1.00 0.00 H new ATOM 0 HB ILE A 42 4.494 -19.397 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.922 -21.960 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.804 -21.981 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.109 -19.275 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.460 -18.671 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.706 -20.291 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.140 -21.876 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.691 -20.396 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.810 -20.374 3.135 1.00 0.00 H new ATOM 691 N ILE A 43 2.066 -18.449 0.938 1.00 0.00 N ATOM 692 CA ILE A 43 1.303 -17.212 0.788 1.00 0.00 C ATOM 693 C ILE A 43 -0.024 -17.461 0.071 1.00 0.00 C ATOM 694 O ILE A 43 -1.092 -17.267 0.653 1.00 0.00 O ATOM 695 CB ILE A 43 2.106 -16.133 0.019 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.527 -16.012 0.582 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.391 -14.788 0.079 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.577 -15.681 2.060 1.00 0.00 C ATOM 0 H ILE A 43 2.783 -18.590 0.227 1.00 0.00 H new ATOM 0 HA ILE A 43 1.102 -16.847 1.795 1.00 0.00 H new ATOM 0 HB ILE A 43 2.176 -16.439 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.055 -16.950 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.062 -15.240 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.970 -14.043 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.403 -14.881 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.288 -14.477 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.616 -15.613 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.079 -14.728 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.072 -16.464 2.626 1.00 0.00 H new ATOM 710 N LYS A 44 0.055 -17.885 -1.195 1.00 0.00 N ATOM 711 CA LYS A 44 -1.132 -18.164 -2.013 1.00 0.00 C ATOM 712 C LYS A 44 -1.793 -16.883 -2.545 1.00 0.00 C ATOM 713 O LYS A 44 -2.495 -16.926 -3.557 1.00 0.00 O ATOM 714 CB LYS A 44 -2.148 -18.988 -1.222 1.00 0.00 C ATOM 715 CG LYS A 44 -3.101 -19.786 -2.101 1.00 0.00 C ATOM 716 CD LYS A 44 -3.820 -20.870 -1.312 1.00 0.00 C ATOM 717 CE LYS A 44 -4.910 -20.289 -0.423 1.00 0.00 C ATOM 718 NZ LYS A 44 -6.119 -21.162 -0.374 1.00 0.00 N ATOM 0 H LYS A 44 0.938 -18.044 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.793 -18.738 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.614 -19.673 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.728 -18.320 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.834 -19.114 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.545 -20.241 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.259 -21.592 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.100 -21.412 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.520 -20.153 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.190 -19.302 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.836 -20.728 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.507 -21.271 -1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.858 -22.096 0.002 1.00 0.00 H new ATOM 732 N HIS A 45 -1.574 -15.751 -1.868 1.00 0.00 N ATOM 733 CA HIS A 45 -2.155 -14.478 -2.286 1.00 0.00 C ATOM 734 C HIS A 45 -1.061 -13.447 -2.579 1.00 0.00 C ATOM 735 O HIS A 45 -0.758 -12.597 -1.737 1.00 0.00 O ATOM 736 CB HIS A 45 -3.098 -13.946 -1.202 1.00 0.00 C ATOM 737 CG HIS A 45 -4.550 -14.062 -1.552 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.234 -15.260 -1.537 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.452 -13.121 -1.919 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.493 -15.049 -1.880 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.650 -13.760 -2.116 1.00 0.00 N ATOM 0 H HIS A 45 -0.998 -15.694 -1.028 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.722 -14.648 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.913 -14.489 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.863 -12.899 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.263 -12.064 -2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.262 -15.803 -1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.521 -13.311 -2.399 1.00 0.00 H new ATOM 750 N PRO A 46 -0.446 -13.510 -3.779 1.00 0.00 N ATOM 751 CA PRO A 46 0.619 -12.581 -4.182 1.00 0.00 C ATOM 752 C PRO A 46 0.092 -11.162 -4.408 1.00 0.00 C ATOM 753 O PRO A 46 -0.098 -10.728 -5.547 1.00 0.00 O ATOM 754 CB PRO A 46 1.153 -13.180 -5.497 1.00 0.00 C ATOM 755 CG PRO A 46 0.568 -14.552 -5.580 1.00 0.00 C ATOM 756 CD PRO A 46 -0.731 -14.491 -4.835 1.00 0.00 C ATOM 0 HA PRO A 46 1.384 -12.482 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.855 -12.574 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.242 -13.218 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.410 -14.847 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.238 -15.289 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.552 -14.170 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.009 -15.461 -4.423 1.00 0.00 H new ATOM 764 N MET A 47 -0.148 -10.446 -3.311 1.00 0.00 N ATOM 765 CA MET A 47 -0.659 -9.079 -3.377 1.00 0.00 C ATOM 766 C MET A 47 0.483 -8.075 -3.533 1.00 0.00 C ATOM 767 O MET A 47 1.328 -7.940 -2.645 1.00 0.00 O ATOM 768 CB MET A 47 -1.474 -8.760 -2.120 1.00 0.00 C ATOM 769 CG MET A 47 -2.645 -7.825 -2.371 1.00 0.00 C ATOM 770 SD MET A 47 -4.211 -8.703 -2.541 1.00 0.00 S ATOM 771 CE MET A 47 -4.637 -8.313 -4.236 1.00 0.00 C ATOM 0 H MET A 47 0.004 -10.792 -2.363 1.00 0.00 H new ATOM 0 HA MET A 47 -1.305 -8.998 -4.251 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.849 -9.691 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.816 -8.312 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.719 -7.113 -1.549 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.456 -7.248 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.719 -8.224 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.170 -7.370 -4.521 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.281 -9.107 -4.893 1.00 0.00 H new ATOM 781 N ASP A 48 0.501 -7.376 -4.669 1.00 0.00 N ATOM 782 CA ASP A 48 1.538 -6.384 -4.950 1.00 0.00 C ATOM 783 C ASP A 48 0.933 -4.998 -5.184 1.00 0.00 C ATOM 784 O ASP A 48 -0.253 -4.872 -5.492 1.00 0.00 O ATOM 785 CB ASP A 48 2.361 -6.809 -6.171 1.00 0.00 C ATOM 786 CG ASP A 48 1.502 -7.048 -7.398 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.993 -8.177 -7.557 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.334 -6.105 -8.198 1.00 0.00 O ATOM 0 H ASP A 48 -0.192 -7.479 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 48 2.191 -6.327 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.099 -6.038 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.912 -7.719 -5.934 1.00 0.00 H new ATOM 793 N LEU A 49 1.762 -3.962 -5.034 1.00 0.00 N ATOM 794 CA LEU A 49 1.318 -2.578 -5.224 1.00 0.00 C ATOM 795 C LEU A 49 0.870 -2.317 -6.665 1.00 0.00 C ATOM 796 O LEU A 49 -0.065 -1.548 -6.895 1.00 0.00 O ATOM 797 CB LEU A 49 2.437 -1.600 -4.848 1.00 0.00 C ATOM 798 CG LEU A 49 1.971 -0.305 -4.175 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.146 0.413 -3.528 1.00 0.00 C ATOM 800 CD2 LEU A 49 1.278 0.605 -5.182 1.00 0.00 C ATOM 0 H LEU A 49 2.746 -4.055 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 49 0.461 -2.421 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.133 -2.108 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.992 -1.343 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 49 1.253 -0.563 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.796 1.331 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.598 -0.233 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.887 0.657 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.955 1.519 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.972 0.855 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.411 0.093 -5.599 1.00 0.00 H new ATOM 812 N SER A 50 1.540 -2.950 -7.631 1.00 0.00 N ATOM 813 CA SER A 50 1.202 -2.771 -9.044 1.00 0.00 C ATOM 814 C SER A 50 -0.261 -3.125 -9.314 1.00 0.00 C ATOM 815 O SER A 50 -0.924 -2.477 -10.126 1.00 0.00 O ATOM 816 CB SER A 50 2.116 -3.621 -9.932 1.00 0.00 C ATOM 817 OG SER A 50 2.655 -2.851 -10.994 1.00 0.00 O ATOM 0 H SER A 50 2.317 -3.589 -7.461 1.00 0.00 H new ATOM 0 HA SER A 50 1.352 -1.719 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.926 -4.037 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.554 -4.463 -10.337 1.00 0.00 H new ATOM 0 HG SER A 50 3.128 -2.075 -10.628 1.00 0.00 H new ATOM 823 N THR A 51 -0.760 -4.153 -8.627 1.00 0.00 N ATOM 824 CA THR A 51 -2.145 -4.586 -8.794 1.00 0.00 C ATOM 825 C THR A 51 -3.109 -3.609 -8.116 1.00 0.00 C ATOM 826 O THR A 51 -4.203 -3.359 -8.624 1.00 0.00 O ATOM 827 CB THR A 51 -2.336 -6.004 -8.238 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.535 -6.930 -8.951 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.768 -6.494 -8.311 1.00 0.00 C ATOM 0 H THR A 51 -0.226 -4.700 -7.951 1.00 0.00 H new ATOM 0 HA THR A 51 -2.370 -4.599 -9.860 1.00 0.00 H new ATOM 0 HB THR A 51 -2.043 -5.943 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.594 -6.662 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.829 -7.502 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.410 -5.828 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.096 -6.504 -9.350 1.00 0.00 H new ATOM 837 N VAL A 52 -2.696 -3.052 -6.973 1.00 0.00 N ATOM 838 CA VAL A 52 -3.529 -2.096 -6.242 1.00 0.00 C ATOM 839 C VAL A 52 -3.866 -0.887 -7.117 1.00 0.00 C ATOM 840 O VAL A 52 -5.001 -0.406 -7.114 1.00 0.00 O ATOM 841 CB VAL A 52 -2.846 -1.609 -4.944 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.795 -0.732 -4.138 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.363 -2.789 -4.108 1.00 0.00 C ATOM 0 H VAL A 52 -1.795 -3.246 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.446 -2.620 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.976 -1.013 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.297 -0.398 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.083 0.135 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.685 -1.304 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.886 -2.420 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.212 -3.418 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.645 -3.373 -4.684 1.00 0.00 H new ATOM 853 N LYS A 53 -2.876 -0.408 -7.875 1.00 0.00 N ATOM 854 CA LYS A 53 -3.071 0.735 -8.765 1.00 0.00 C ATOM 855 C LYS A 53 -4.129 0.420 -9.824 1.00 0.00 C ATOM 856 O LYS A 53 -5.015 1.235 -10.087 1.00 0.00 O ATOM 857 CB LYS A 53 -1.749 1.121 -9.439 1.00 0.00 C ATOM 858 CG LYS A 53 -1.825 2.404 -10.258 1.00 0.00 C ATOM 859 CD LYS A 53 -0.725 3.382 -9.870 1.00 0.00 C ATOM 860 CE LYS A 53 -0.803 4.668 -10.681 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.896 5.567 -10.209 1.00 0.00 N ATOM 0 H LYS A 53 -1.932 -0.795 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.419 1.577 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.982 1.235 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.432 0.305 -10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.743 2.165 -11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.798 2.873 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.804 3.616 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.248 2.914 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.150 5.193 -10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.964 4.424 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.911 6.429 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.809 5.077 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.730 5.822 -9.215 1.00 0.00 H new ATOM 875 N ARG A 54 -4.034 -0.770 -10.422 1.00 0.00 N ATOM 876 CA ARG A 54 -4.988 -1.195 -11.448 1.00 0.00 C ATOM 877 C ARG A 54 -6.405 -1.289 -10.879 1.00 0.00 C ATOM 878 O ARG A 54 -7.377 -0.979 -11.568 1.00 0.00 O ATOM 879 CB ARG A 54 -4.572 -2.544 -12.046 1.00 0.00 C ATOM 880 CG ARG A 54 -4.556 -2.557 -13.568 1.00 0.00 C ATOM 881 CD ARG A 54 -4.254 -3.945 -14.117 1.00 0.00 C ATOM 882 NE ARG A 54 -5.329 -4.445 -14.975 1.00 0.00 N ATOM 883 CZ ARG A 54 -5.202 -5.482 -15.809 1.00 0.00 C ATOM 884 NH1 ARG A 54 -4.047 -6.138 -15.901 1.00 0.00 N ATOM 885 NH2 ARG A 54 -6.233 -5.865 -16.552 1.00 0.00 N ATOM 0 H ARG A 54 -3.307 -1.455 -10.214 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.984 -0.443 -12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.579 -2.804 -11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.256 -3.315 -11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.521 -2.219 -13.945 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.808 -1.852 -13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.323 -3.915 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.101 -4.636 -13.288 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.232 -3.972 -14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.250 -5.850 -15.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.959 -6.928 -16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.121 -5.368 -16.486 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.137 -6.656 -17.189 1.00 0.00 H new ATOM 899 N LYS A 55 -6.517 -1.715 -9.617 1.00 0.00 N ATOM 900 CA LYS A 55 -7.819 -1.840 -8.962 1.00 0.00 C ATOM 901 C LYS A 55 -8.541 -0.495 -8.931 1.00 0.00 C ATOM 902 O LYS A 55 -9.729 -0.414 -9.244 1.00 0.00 O ATOM 903 CB LYS A 55 -7.656 -2.375 -7.537 1.00 0.00 C ATOM 904 CG LYS A 55 -7.624 -3.893 -7.446 1.00 0.00 C ATOM 905 CD LYS A 55 -6.500 -4.371 -6.543 1.00 0.00 C ATOM 906 CE LYS A 55 -6.667 -5.836 -6.164 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.654 -6.020 -5.060 1.00 0.00 N ATOM 0 H LYS A 55 -5.724 -1.978 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.418 -2.546 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.734 -1.976 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.476 -2.002 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.578 -4.256 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.497 -4.316 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.544 -4.232 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.475 -3.762 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.991 -6.402 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.703 -6.244 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.737 -7.032 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.333 -5.502 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.581 -5.655 -5.359 1.00 0.00 H new ATOM 921 N MET A 56 -7.814 0.560 -8.560 1.00 0.00 N ATOM 922 CA MET A 56 -8.388 1.906 -8.499 1.00 0.00 C ATOM 923 C MET A 56 -8.867 2.356 -9.881 1.00 0.00 C ATOM 924 O MET A 56 -9.899 3.019 -10.002 1.00 0.00 O ATOM 925 CB MET A 56 -7.363 2.905 -7.953 1.00 0.00 C ATOM 926 CG MET A 56 -6.981 2.660 -6.500 1.00 0.00 C ATOM 927 SD MET A 56 -6.711 4.190 -5.581 1.00 0.00 S ATOM 928 CE MET A 56 -5.264 4.838 -6.414 1.00 0.00 C ATOM 0 H MET A 56 -6.830 0.509 -8.298 1.00 0.00 H new ATOM 0 HA MET A 56 -9.244 1.875 -7.825 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.464 2.862 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.766 3.913 -8.048 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.768 2.084 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.075 2.055 -6.464 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.653 5.394 -5.703 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.682 4.014 -6.826 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.575 5.501 -7.221 1.00 0.00 H new ATOM 938 N GLU A 57 -8.116 1.984 -10.920 1.00 0.00 N ATOM 939 CA GLU A 57 -8.466 2.337 -12.296 1.00 0.00 C ATOM 940 C GLU A 57 -9.687 1.549 -12.780 1.00 0.00 C ATOM 941 O GLU A 57 -10.392 1.983 -13.692 1.00 0.00 O ATOM 942 CB GLU A 57 -7.280 2.082 -13.230 1.00 0.00 C ATOM 943 CG GLU A 57 -6.456 3.326 -13.515 1.00 0.00 C ATOM 944 CD GLU A 57 -6.860 4.011 -14.807 1.00 0.00 C ATOM 945 OE1 GLU A 57 -7.972 4.577 -14.856 1.00 0.00 O ATOM 946 OE2 GLU A 57 -6.063 3.983 -15.769 1.00 0.00 O ATOM 0 H GLU A 57 -7.260 1.437 -10.833 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.715 3.398 -12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.636 1.322 -12.787 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.650 1.677 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.565 4.027 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.402 3.055 -13.566 1.00 0.00 H new ATOM 953 N ASN A 58 -9.934 0.393 -12.160 1.00 0.00 N ATOM 954 CA ASN A 58 -11.067 -0.452 -12.516 1.00 0.00 C ATOM 955 C ASN A 58 -12.232 -0.247 -11.544 1.00 0.00 C ATOM 956 O ASN A 58 -13.275 -0.890 -11.675 1.00 0.00 O ATOM 957 CB ASN A 58 -10.642 -1.925 -12.517 1.00 0.00 C ATOM 958 CG ASN A 58 -10.275 -2.426 -13.902 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.002 -2.200 -14.868 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.140 -3.111 -14.007 1.00 0.00 N ATOM 0 H ASN A 58 -9.358 0.022 -11.404 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.401 -0.171 -13.515 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.789 -2.054 -11.850 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.453 -2.534 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.844 -3.471 -14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.566 -3.276 -13.180 1.00 0.00 H new ATOM 967 N ARG A 59 -12.043 0.645 -10.561 1.00 0.00 N ATOM 968 CA ARG A 59 -13.063 0.928 -9.561 1.00 0.00 C ATOM 969 C ARG A 59 -13.279 -0.279 -8.641 1.00 0.00 C ATOM 970 O ARG A 59 -14.380 -0.502 -8.134 1.00 0.00 O ATOM 971 CB ARG A 59 -14.370 1.335 -10.243 1.00 0.00 C ATOM 972 CG ARG A 59 -15.318 2.082 -9.322 1.00 0.00 C ATOM 973 CD ARG A 59 -16.318 2.923 -10.102 1.00 0.00 C ATOM 974 NE ARG A 59 -16.745 4.108 -9.355 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.380 5.148 -9.903 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.673 5.155 -11.201 1.00 0.00 N ATOM 977 NH2 ARG A 59 -17.727 6.185 -9.148 1.00 0.00 N ATOM 0 H ARG A 59 -11.184 1.182 -10.444 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.721 1.758 -8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.142 1.962 -11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.869 0.442 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.853 1.369 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.745 2.725 -8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.871 3.233 -11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.190 2.315 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.545 4.141 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.413 4.362 -11.787 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.158 5.954 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.509 6.186 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.212 6.980 -9.565 1.00 0.00 H new ATOM 991 N ASP A 60 -12.209 -1.047 -8.421 1.00 0.00 N ATOM 992 CA ASP A 60 -12.261 -2.226 -7.556 1.00 0.00 C ATOM 993 C ASP A 60 -12.353 -1.825 -6.082 1.00 0.00 C ATOM 994 O ASP A 60 -12.903 -2.565 -5.263 1.00 0.00 O ATOM 995 CB ASP A 60 -11.021 -3.096 -7.780 1.00 0.00 C ATOM 996 CG ASP A 60 -11.171 -4.485 -7.192 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.753 -5.356 -7.869 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.704 -4.702 -6.052 1.00 0.00 O ATOM 0 H ASP A 60 -11.292 -0.871 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.155 -2.795 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.827 -3.177 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.154 -2.608 -7.335 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.815 -0.649 -5.755 1.00 0.00 N ATOM 1004 CA TYR A 61 -11.835 -0.141 -4.394 1.00 0.00 C ATOM 1005 C TYR A 61 -12.938 0.896 -4.236 1.00 0.00 C ATOM 1006 O TYR A 61 -12.685 2.102 -4.278 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.481 0.478 -4.040 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.409 -0.539 -3.725 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.465 -1.295 -2.562 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.340 -0.738 -4.588 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.485 -2.222 -2.267 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.357 -1.664 -4.301 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.433 -2.403 -3.139 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.454 -3.325 -2.845 1.00 0.00 O ATOM 0 H TYR A 61 -11.358 -0.030 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.031 -0.971 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.147 1.098 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.607 1.137 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.288 -1.156 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.276 -0.160 -5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.543 -2.802 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.532 -1.809 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.785 -3.331 -3.561 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.165 0.419 -4.049 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.313 1.308 -3.879 1.00 0.00 C ATOM 1026 C ARG A 62 -15.474 1.732 -2.416 1.00 0.00 C ATOM 1027 O ARG A 62 -16.562 2.128 -1.993 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.594 0.630 -4.377 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.808 -0.761 -3.810 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.222 -1.257 -4.068 1.00 0.00 C ATOM 1031 NE ARG A 62 -18.746 -2.025 -2.940 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.284 -3.225 -2.575 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -17.301 -3.806 -3.259 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.809 -3.844 -1.524 1.00 0.00 N ATOM 0 H ARG A 62 -14.391 -0.575 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.133 2.203 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.449 1.254 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.563 0.568 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.092 -1.451 -4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.615 -0.751 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.875 -0.406 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.231 -1.877 -4.964 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.510 -1.621 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.895 -3.335 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.954 -4.722 -2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.563 -3.404 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.458 -4.760 -1.244 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.383 1.649 -1.648 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.403 2.024 -0.235 1.00 0.00 C ATOM 1050 C ASP A 63 -12.994 2.009 0.354 1.00 0.00 C ATOM 1051 O ASP A 63 -12.154 1.200 -0.046 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.312 1.081 0.562 1.00 0.00 C ATOM 1053 CG ASP A 63 -14.904 -0.373 0.430 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.059 -0.938 -0.673 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -14.429 -0.947 1.431 1.00 0.00 O ATOM 0 H ASP A 63 -13.476 1.325 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.798 3.038 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.292 1.366 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.340 1.198 0.220 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.745 2.909 1.307 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.437 3.005 1.957 1.00 0.00 C ATOM 1062 C ALA A 64 -11.149 1.784 2.830 1.00 0.00 C ATOM 1063 O ALA A 64 -9.991 1.408 3.013 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.352 4.278 2.787 1.00 0.00 C ATOM 0 H ALA A 64 -13.432 3.582 1.646 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.680 3.038 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.374 4.336 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.492 5.144 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.129 4.267 3.551 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.205 1.169 3.368 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.055 -0.008 4.222 1.00 0.00 C ATOM 1072 C GLN A 65 -11.380 -1.155 3.468 1.00 0.00 C ATOM 1073 O GLN A 65 -10.538 -1.857 4.027 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.417 -0.462 4.758 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.382 -0.895 6.216 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.079 0.090 7.136 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.168 -0.179 7.641 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.455 1.243 7.355 1.00 0.00 N ATOM 0 H GLN A 65 -13.170 1.467 3.227 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.419 0.270 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.132 0.353 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.780 -1.291 4.150 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.855 -1.873 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.345 -1.010 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.553 1.426 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.879 1.945 7.962 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.747 -1.334 2.197 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.164 -2.392 1.374 1.00 0.00 C ATOM 1089 C GLU A 66 -9.692 -2.100 1.089 1.00 0.00 C ATOM 1090 O GLU A 66 -8.847 -2.993 1.164 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.933 -2.520 0.053 1.00 0.00 C ATOM 1092 CG GLU A 66 -12.625 -3.861 -0.122 1.00 0.00 C ATOM 1093 CD GLU A 66 -11.653 -4.979 -0.445 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -11.034 -4.933 -1.530 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -11.508 -5.898 0.387 1.00 0.00 O ATOM 0 H GLU A 66 -12.442 -0.762 1.718 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.236 -3.332 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.678 -1.726 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.242 -2.366 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.167 -4.108 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.363 -3.784 -0.920 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.394 -0.838 0.778 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.023 -0.416 0.495 1.00 0.00 C ATOM 1104 C PHE A 67 -7.157 -0.504 1.751 1.00 0.00 C ATOM 1105 O PHE A 67 -6.037 -1.013 1.705 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.015 1.018 -0.051 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.660 1.491 -0.510 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.717 1.933 0.405 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.337 1.501 -1.858 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.476 2.372 -0.015 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.098 1.940 -2.284 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.167 2.377 -1.362 1.00 0.00 C ATOM 0 H PHE A 67 -10.085 -0.090 0.716 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.606 -1.086 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.713 1.082 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.381 1.693 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.955 1.934 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.062 1.162 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.749 2.711 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.858 1.941 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.199 2.722 -1.693 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.683 0.000 2.870 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.958 -0.016 4.140 1.00 0.00 C ATOM 1124 C ALA A 68 -6.732 -1.441 4.643 1.00 0.00 C ATOM 1125 O ALA A 68 -5.623 -1.790 5.047 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.699 0.802 5.189 1.00 0.00 C ATOM 0 H ALA A 68 -8.609 0.424 2.921 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.981 0.434 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.145 0.778 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.791 1.833 4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.692 0.381 5.344 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.787 -2.262 4.618 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.688 -3.649 5.075 1.00 0.00 C ATOM 1134 C ALA A 69 -6.677 -4.433 4.244 1.00 0.00 C ATOM 1135 O ALA A 69 -5.952 -5.278 4.773 1.00 0.00 O ATOM 1136 CB ALA A 69 -9.047 -4.334 5.028 1.00 0.00 C ATOM 0 H ALA A 69 -8.713 -1.991 4.288 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.342 -3.630 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.948 -5.363 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.745 -3.801 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.422 -4.328 4.005 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.628 -4.142 2.942 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.699 -4.816 2.039 1.00 0.00 C ATOM 1144 C ASP A 70 -4.254 -4.517 2.431 1.00 0.00 C ATOM 1145 O ASP A 70 -3.381 -5.379 2.314 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.946 -4.380 0.591 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.648 -5.449 -0.226 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.013 -6.483 -0.521 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.830 -5.249 -0.573 1.00 0.00 O ATOM 0 H ASP A 70 -7.221 -3.445 2.492 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.869 -5.890 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.547 -3.471 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.993 -4.135 0.121 1.00 0.00 H new ATOM 1154 N VAL A 71 -4.009 -3.294 2.904 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.672 -2.888 3.322 1.00 0.00 C ATOM 1156 C VAL A 71 -2.160 -3.780 4.456 1.00 0.00 C ATOM 1157 O VAL A 71 -1.003 -4.200 4.448 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.637 -1.412 3.780 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.202 -0.958 3.996 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.340 -0.509 2.773 1.00 0.00 C ATOM 0 H VAL A 71 -4.720 -2.570 3.006 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.024 -2.997 2.453 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.172 -1.338 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.194 0.083 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.736 -1.578 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.646 -1.053 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.300 0.523 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.843 -0.586 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.380 -0.818 2.671 1.00 0.00 H new ATOM 1170 N ARG A 72 -3.031 -4.069 5.427 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.664 -4.915 6.566 1.00 0.00 C ATOM 1172 C ARG A 72 -2.228 -6.308 6.108 1.00 0.00 C ATOM 1173 O ARG A 72 -1.254 -6.859 6.622 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.840 -5.039 7.541 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.460 -4.805 8.995 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.497 -5.387 9.946 1.00 0.00 C ATOM 1177 NE ARG A 72 -5.579 -4.442 10.227 1.00 0.00 N ATOM 1178 CZ ARG A 72 -6.697 -4.342 9.499 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.896 -5.135 8.448 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -7.623 -3.447 9.827 1.00 0.00 N ATOM 0 H ARG A 72 -3.993 -3.730 5.447 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.823 -4.440 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.612 -4.324 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.276 -6.033 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.488 -5.256 9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.358 -3.735 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.914 -6.297 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.012 -5.671 10.880 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.474 -3.820 11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.192 -5.827 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.752 -5.050 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.481 -2.838 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.476 -3.369 9.273 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.953 -6.871 5.138 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.634 -8.198 4.614 1.00 0.00 C ATOM 1196 C LEU A 73 -1.328 -8.171 3.824 1.00 0.00 C ATOM 1197 O LEU A 73 -0.480 -9.049 3.984 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.772 -8.718 3.729 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.680 -10.203 3.353 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.783 -11.001 4.035 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.749 -10.379 1.841 1.00 0.00 C ATOM 0 H LEU A 73 -3.762 -6.429 4.702 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.513 -8.872 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.718 -8.548 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.797 -8.128 2.813 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.719 -10.583 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.699 -12.051 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.686 -10.905 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.755 -10.619 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.682 -11.439 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.693 -9.979 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.921 -9.845 1.374 1.00 0.00 H new ATOM 1213 N MET A 74 -1.170 -7.153 2.976 1.00 0.00 N ATOM 1214 CA MET A 74 0.038 -7.007 2.164 1.00 0.00 C ATOM 1215 C MET A 74 1.278 -6.881 3.046 1.00 0.00 C ATOM 1216 O MET A 74 2.326 -7.453 2.741 1.00 0.00 O ATOM 1217 CB MET A 74 -0.074 -5.785 1.248 1.00 0.00 C ATOM 1218 CG MET A 74 -0.257 -6.139 -0.219 1.00 0.00 C ATOM 1219 SD MET A 74 -0.127 -4.706 -1.305 1.00 0.00 S ATOM 1220 CE MET A 74 1.621 -4.338 -1.173 1.00 0.00 C ATOM 0 H MET A 74 -1.863 -6.418 2.834 1.00 0.00 H new ATOM 0 HA MET A 74 0.138 -7.903 1.551 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.916 -5.173 1.573 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.823 -5.176 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.493 -6.876 -0.506 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.232 -6.606 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.927 -3.717 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.811 -3.805 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.190 -5.268 -1.182 1.00 0.00 H new ATOM 1230 N PHE A 75 1.153 -6.129 4.140 1.00 0.00 N ATOM 1231 CA PHE A 75 2.265 -5.930 5.064 1.00 0.00 C ATOM 1232 C PHE A 75 2.558 -7.208 5.849 1.00 0.00 C ATOM 1233 O PHE A 75 3.719 -7.547 6.083 1.00 0.00 O ATOM 1234 CB PHE A 75 1.964 -4.777 6.027 1.00 0.00 C ATOM 1235 CG PHE A 75 2.180 -3.414 5.423 1.00 0.00 C ATOM 1236 CD1 PHE A 75 1.703 -3.118 4.154 1.00 0.00 C ATOM 1237 CD2 PHE A 75 2.857 -2.431 6.124 1.00 0.00 C ATOM 1238 CE1 PHE A 75 1.900 -1.869 3.598 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.057 -1.180 5.573 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.577 -0.899 4.309 1.00 0.00 C ATOM 0 H PHE A 75 0.293 -5.649 4.406 1.00 0.00 H new ATOM 0 HA PHE A 75 3.148 -5.676 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.930 -4.856 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.595 -4.878 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.171 -3.873 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.233 -2.645 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.525 -1.652 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.588 -0.423 6.130 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.731 0.079 3.877 1.00 0.00 H new ATOM 1250 N SER A 76 1.499 -7.915 6.250 1.00 0.00 N ATOM 1251 CA SER A 76 1.648 -9.159 7.004 1.00 0.00 C ATOM 1252 C SER A 76 2.218 -10.271 6.124 1.00 0.00 C ATOM 1253 O SER A 76 3.023 -11.080 6.584 1.00 0.00 O ATOM 1254 CB SER A 76 0.303 -9.598 7.592 1.00 0.00 C ATOM 1255 OG SER A 76 0.457 -10.731 8.434 1.00 0.00 O ATOM 0 H SER A 76 0.532 -7.647 6.065 1.00 0.00 H new ATOM 0 HA SER A 76 2.347 -8.971 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.135 -8.777 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.391 -9.833 6.785 1.00 0.00 H new ATOM 0 HG SER A 76 -0.416 -10.990 8.797 1.00 0.00 H new ATOM 1261 N ASN A 77 1.793 -10.312 4.859 1.00 0.00 N ATOM 1262 CA ASN A 77 2.262 -11.333 3.922 1.00 0.00 C ATOM 1263 C ASN A 77 3.774 -11.251 3.725 1.00 0.00 C ATOM 1264 O ASN A 77 4.469 -12.266 3.781 1.00 0.00 O ATOM 1265 CB ASN A 77 1.557 -11.188 2.568 1.00 0.00 C ATOM 1266 CG ASN A 77 0.322 -12.063 2.454 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.085 -12.937 3.288 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.474 -11.836 1.414 1.00 0.00 N ATOM 0 H ASN A 77 1.126 -9.651 4.461 1.00 0.00 H new ATOM 0 HA ASN A 77 2.021 -12.306 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.274 -10.146 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.254 -11.445 1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.317 -12.396 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.242 -11.102 0.745 1.00 0.00 H new ATOM 1275 N CYS A 78 4.278 -10.038 3.496 1.00 0.00 N ATOM 1276 CA CYS A 78 5.711 -9.830 3.292 1.00 0.00 C ATOM 1277 C CYS A 78 6.493 -10.098 4.577 1.00 0.00 C ATOM 1278 O CYS A 78 7.547 -10.733 4.548 1.00 0.00 O ATOM 1279 CB CYS A 78 5.983 -8.406 2.798 1.00 0.00 C ATOM 1280 SG CYS A 78 7.003 -8.326 1.307 1.00 0.00 S ATOM 0 H CYS A 78 3.717 -9.188 3.447 1.00 0.00 H new ATOM 0 HA CYS A 78 6.046 -10.536 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.031 -7.913 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.475 -7.845 3.593 1.00 0.00 H new ATOM 0 HG CYS A 78 7.066 -7.096 0.890 1.00 0.00 H new ATOM 1286 N TYR A 79 5.969 -9.613 5.704 1.00 0.00 N ATOM 1287 CA TYR A 79 6.619 -9.805 6.999 1.00 0.00 C ATOM 1288 C TYR A 79 6.610 -11.280 7.409 1.00 0.00 C ATOM 1289 O TYR A 79 7.563 -11.768 8.019 1.00 0.00 O ATOM 1290 CB TYR A 79 5.927 -8.957 8.071 1.00 0.00 C ATOM 1291 CG TYR A 79 6.873 -8.386 9.104 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.257 -9.134 10.211 1.00 0.00 C ATOM 1293 CD2 TYR A 79 7.376 -7.096 8.977 1.00 0.00 C ATOM 1294 CE1 TYR A 79 8.116 -8.613 11.160 1.00 0.00 C ATOM 1295 CE2 TYR A 79 8.237 -6.570 9.921 1.00 0.00 C ATOM 1296 CZ TYR A 79 8.603 -7.332 11.011 1.00 0.00 C ATOM 1297 OH TYR A 79 9.457 -6.809 11.954 1.00 0.00 O ATOM 0 H TYR A 79 5.097 -9.085 5.745 1.00 0.00 H new ATOM 0 HA TYR A 79 7.657 -9.485 6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.396 -8.138 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.178 -9.567 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.878 -10.138 10.331 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.089 -6.495 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.405 -9.207 12.015 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.621 -5.567 9.806 1.00 0.00 H new ATOM 0 HH TYR A 79 9.708 -5.897 11.698 1.00 0.00 H new ATOM 1307 N LYS A 80 5.527 -11.984 7.071 1.00 0.00 N ATOM 1308 CA LYS A 80 5.390 -13.403 7.402 1.00 0.00 C ATOM 1309 C LYS A 80 6.348 -14.264 6.574 1.00 0.00 C ATOM 1310 O LYS A 80 6.832 -15.292 7.051 1.00 0.00 O ATOM 1311 CB LYS A 80 3.944 -13.864 7.178 1.00 0.00 C ATOM 1312 CG LYS A 80 3.631 -15.233 7.770 1.00 0.00 C ATOM 1313 CD LYS A 80 3.780 -15.242 9.285 1.00 0.00 C ATOM 1314 CE LYS A 80 3.009 -16.394 9.915 1.00 0.00 C ATOM 1315 NZ LYS A 80 3.901 -17.531 10.284 1.00 0.00 N ATOM 0 H LYS A 80 4.731 -11.593 6.567 1.00 0.00 H new ATOM 0 HA LYS A 80 5.647 -13.526 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.267 -13.128 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.743 -13.888 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.614 -15.520 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.297 -15.978 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.835 -15.322 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.421 -14.297 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.489 -16.038 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.247 -16.743 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.335 -18.293 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.378 -17.889 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.613 -17.206 10.969 1.00 0.00 H new ATOM 1329 N TYR A 81 6.615 -13.846 5.335 1.00 0.00 N ATOM 1330 CA TYR A 81 7.513 -14.590 4.451 1.00 0.00 C ATOM 1331 C TYR A 81 8.973 -14.195 4.680 1.00 0.00 C ATOM 1332 O TYR A 81 9.784 -15.022 5.099 1.00 0.00 O ATOM 1333 CB TYR A 81 7.129 -14.366 2.985 1.00 0.00 C ATOM 1334 CG TYR A 81 7.701 -15.402 2.039 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.275 -16.724 2.084 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.667 -15.056 1.102 1.00 0.00 C ATOM 1337 CE1 TYR A 81 7.794 -17.670 1.222 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.189 -15.997 0.235 1.00 0.00 C ATOM 1339 CZ TYR A 81 8.751 -17.303 0.300 1.00 0.00 C ATOM 1340 OH TYR A 81 9.268 -18.243 -0.562 1.00 0.00 O ATOM 0 H TYR A 81 6.223 -12.999 4.923 1.00 0.00 H new ATOM 0 HA TYR A 81 7.408 -15.649 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.042 -14.369 2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.470 -13.378 2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.526 -17.016 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.016 -14.035 1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.452 -18.693 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.937 -15.711 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 81 9.930 -17.820 -1.148 1.00 0.00 H new ATOM 1350 N ASN A 82 9.303 -12.933 4.402 1.00 0.00 N ATOM 1351 CA ASN A 82 10.668 -12.439 4.579 1.00 0.00 C ATOM 1352 C ASN A 82 10.946 -12.114 6.047 1.00 0.00 C ATOM 1353 O ASN A 82 10.338 -11.203 6.612 1.00 0.00 O ATOM 1354 CB ASN A 82 10.905 -11.197 3.713 1.00 0.00 C ATOM 1355 CG ASN A 82 11.617 -11.523 2.413 1.00 0.00 C ATOM 1356 OD1 ASN A 82 10.985 -11.885 1.422 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.941 -11.398 2.411 1.00 0.00 N ATOM 0 H ASN A 82 8.645 -12.236 4.054 1.00 0.00 H new ATOM 0 HA ASN A 82 11.354 -13.226 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.948 -10.725 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.495 -10.473 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.472 -11.606 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.426 -11.095 3.256 1.00 0.00 H new ATOM 1364 N PRO A 83 11.873 -12.860 6.688 1.00 0.00 N ATOM 1365 CA PRO A 83 12.231 -12.647 8.099 1.00 0.00 C ATOM 1366 C PRO A 83 12.871 -11.278 8.331 1.00 0.00 C ATOM 1367 O PRO A 83 13.628 -10.790 7.488 1.00 0.00 O ATOM 1368 CB PRO A 83 13.238 -13.767 8.398 1.00 0.00 C ATOM 1369 CG PRO A 83 13.058 -14.759 7.300 1.00 0.00 C ATOM 1370 CD PRO A 83 12.644 -13.965 6.096 1.00 0.00 C ATOM 0 HA PRO A 83 11.354 -12.669 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.258 -13.384 8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.047 -14.218 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.983 -15.304 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.300 -15.498 7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.505 -13.603 5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.040 -14.557 5.408 1.00 0.00 H new ATOM 1378 N PRO A 84 12.574 -10.637 9.480 1.00 0.00 N ATOM 1379 CA PRO A 84 13.122 -9.318 9.815 1.00 0.00 C ATOM 1380 C PRO A 84 14.638 -9.342 9.979 1.00 0.00 C ATOM 1381 O PRO A 84 15.166 -9.943 10.916 1.00 0.00 O ATOM 1382 CB PRO A 84 12.449 -8.954 11.142 1.00 0.00 C ATOM 1383 CG PRO A 84 11.302 -9.898 11.282 1.00 0.00 C ATOM 1384 CD PRO A 84 11.685 -11.144 10.537 1.00 0.00 C ATOM 0 HA PRO A 84 12.929 -8.597 9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.144 -9.056 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.107 -7.919 11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.106 -10.118 12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.390 -9.465 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.193 -11.860 11.183 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.813 -11.651 10.123 1.00 0.00 H new ATOM 1392 N ASP A 85 15.325 -8.676 9.056 1.00 0.00 N ATOM 1393 CA ASP A 85 16.786 -8.598 9.066 1.00 0.00 C ATOM 1394 C ASP A 85 17.285 -7.717 7.921 1.00 0.00 C ATOM 1395 O ASP A 85 18.144 -6.856 8.114 1.00 0.00 O ATOM 1396 CB ASP A 85 17.410 -9.996 8.942 1.00 0.00 C ATOM 1397 CG ASP A 85 17.933 -10.530 10.264 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.575 -9.759 11.009 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.704 -11.724 10.552 1.00 0.00 O ATOM 0 H ASP A 85 14.889 -8.176 8.282 1.00 0.00 H new ATOM 0 HA ASP A 85 17.088 -8.158 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.665 -10.687 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.227 -9.961 8.221 1.00 0.00 H new ATOM 1404 N HIS A 86 16.742 -7.948 6.725 1.00 0.00 N ATOM 1405 CA HIS A 86 17.128 -7.187 5.539 1.00 0.00 C ATOM 1406 C HIS A 86 16.320 -5.897 5.413 1.00 0.00 C ATOM 1407 O HIS A 86 15.448 -5.609 6.237 1.00 0.00 O ATOM 1408 CB HIS A 86 16.936 -8.036 4.280 1.00 0.00 C ATOM 1409 CG HIS A 86 17.827 -9.237 4.208 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.933 -9.415 5.015 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.769 -10.326 3.408 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.515 -10.562 4.712 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.827 -11.134 3.741 1.00 0.00 N ATOM 0 H HIS A 86 16.031 -8.659 6.553 1.00 0.00 H new ATOM 0 HA HIS A 86 18.180 -6.923 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.898 -8.364 4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.114 -7.412 3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.027 -10.523 2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.402 -10.963 5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 86 19.046 -12.031 3.308 1.00 0.00 H new ATOM 1422 N ASP A 87 16.616 -5.126 4.365 1.00 0.00 N ATOM 1423 CA ASP A 87 15.922 -3.865 4.113 1.00 0.00 C ATOM 1424 C ASP A 87 14.474 -4.103 3.689 1.00 0.00 C ATOM 1425 O ASP A 87 13.597 -3.295 3.989 1.00 0.00 O ATOM 1426 CB ASP A 87 16.650 -3.057 3.033 1.00 0.00 C ATOM 1427 CG ASP A 87 16.685 -1.571 3.342 1.00 0.00 C ATOM 1428 OD1 ASP A 87 15.631 -1.011 3.711 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.770 -0.966 3.214 1.00 0.00 O ATOM 0 H ASP A 87 17.333 -5.355 3.677 1.00 0.00 H new ATOM 0 HA ASP A 87 15.920 -3.299 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.670 -3.428 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.158 -3.214 2.073 1.00 0.00 H new ATOM 1434 N VAL A 88 14.232 -5.212 2.988 1.00 0.00 N ATOM 1435 CA VAL A 88 12.887 -5.550 2.521 1.00 0.00 C ATOM 1436 C VAL A 88 11.870 -5.485 3.663 1.00 0.00 C ATOM 1437 O VAL A 88 10.866 -4.777 3.572 1.00 0.00 O ATOM 1438 CB VAL A 88 12.842 -6.958 1.885 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.486 -7.209 1.240 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.963 -7.129 0.867 1.00 0.00 C ATOM 0 H VAL A 88 14.949 -5.890 2.732 1.00 0.00 H new ATOM 0 HA VAL A 88 12.626 -4.811 1.763 1.00 0.00 H new ATOM 0 HB VAL A 88 12.988 -7.694 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.472 -8.205 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.704 -7.137 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.309 -6.465 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.911 -8.127 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.855 -6.384 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.926 -6.998 1.361 1.00 0.00 H new ATOM 1450 N VAL A 89 12.140 -6.228 4.737 1.00 0.00 N ATOM 1451 CA VAL A 89 11.251 -6.255 5.898 1.00 0.00 C ATOM 1452 C VAL A 89 11.222 -4.900 6.603 1.00 0.00 C ATOM 1453 O VAL A 89 10.153 -4.404 6.963 1.00 0.00 O ATOM 1454 CB VAL A 89 11.666 -7.346 6.907 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.611 -7.502 7.992 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.907 -8.670 6.196 1.00 0.00 C ATOM 0 H VAL A 89 12.967 -6.819 4.827 1.00 0.00 H new ATOM 0 HA VAL A 89 10.253 -6.486 5.524 1.00 0.00 H new ATOM 0 HB VAL A 89 12.599 -7.038 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.922 -8.276 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.493 -6.557 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.661 -7.785 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.199 -9.426 6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.993 -8.984 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.702 -8.549 5.461 1.00 0.00 H new ATOM 1466 N ALA A 90 12.402 -4.303 6.793 1.00 0.00 N ATOM 1467 CA ALA A 90 12.509 -3.001 7.450 1.00 0.00 C ATOM 1468 C ALA A 90 11.708 -1.939 6.698 1.00 0.00 C ATOM 1469 O ALA A 90 11.095 -1.064 7.311 1.00 0.00 O ATOM 1470 CB ALA A 90 13.967 -2.578 7.564 1.00 0.00 C ATOM 0 H ALA A 90 13.294 -4.701 6.501 1.00 0.00 H new ATOM 0 HA ALA A 90 12.092 -3.096 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.027 -1.607 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.515 -3.316 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.405 -2.508 6.568 1.00 0.00 H new ATOM 1476 N MET A 91 11.719 -2.028 5.367 1.00 0.00 N ATOM 1477 CA MET A 91 10.993 -1.082 4.524 1.00 0.00 C ATOM 1478 C MET A 91 9.485 -1.177 4.766 1.00 0.00 C ATOM 1479 O MET A 91 8.783 -0.166 4.747 1.00 0.00 O ATOM 1480 CB MET A 91 11.304 -1.337 3.045 1.00 0.00 C ATOM 1481 CG MET A 91 12.604 -0.701 2.574 1.00 0.00 C ATOM 1482 SD MET A 91 12.620 -0.391 0.799 1.00 0.00 S ATOM 1483 CE MET A 91 13.963 0.787 0.671 1.00 0.00 C ATOM 0 H MET A 91 12.224 -2.748 4.850 1.00 0.00 H new ATOM 0 HA MET A 91 11.321 -0.076 4.787 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.353 -2.412 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.483 -0.955 2.439 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.758 0.239 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.438 -1.353 2.833 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.237 0.914 -0.376 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.646 1.746 1.082 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.824 0.419 1.229 1.00 0.00 H new ATOM 1493 N ALA A 92 8.995 -2.398 4.998 1.00 0.00 N ATOM 1494 CA ALA A 92 7.572 -2.622 5.250 1.00 0.00 C ATOM 1495 C ALA A 92 7.139 -1.996 6.574 1.00 0.00 C ATOM 1496 O ALA A 92 6.120 -1.307 6.638 1.00 0.00 O ATOM 1497 CB ALA A 92 7.258 -4.113 5.241 1.00 0.00 C ATOM 0 H ALA A 92 9.564 -3.245 5.016 1.00 0.00 H new ATOM 0 HA ALA A 92 7.010 -2.139 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.195 -4.262 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.516 -4.533 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.838 -4.612 6.018 1.00 0.00 H new ATOM 1503 N ARG A 93 7.918 -2.238 7.629 1.00 0.00 N ATOM 1504 CA ARG A 93 7.610 -1.693 8.952 1.00 0.00 C ATOM 1505 C ARG A 93 7.601 -0.164 8.931 1.00 0.00 C ATOM 1506 O ARG A 93 6.757 0.464 9.570 1.00 0.00 O ATOM 1507 CB ARG A 93 8.615 -2.198 9.992 1.00 0.00 C ATOM 1508 CG ARG A 93 8.057 -2.242 11.408 1.00 0.00 C ATOM 1509 CD ARG A 93 8.897 -3.129 12.315 1.00 0.00 C ATOM 1510 NE ARG A 93 9.294 -2.441 13.543 1.00 0.00 N ATOM 1511 CZ ARG A 93 10.303 -1.569 13.618 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.016 -1.265 12.536 1.00 0.00 N ATOM 1513 NH2 ARG A 93 10.598 -0.995 14.780 1.00 0.00 N ATOM 0 H ARG A 93 8.764 -2.806 7.594 1.00 0.00 H new ATOM 0 HA ARG A 93 6.614 -2.038 9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.946 -3.197 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.495 -1.555 9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.022 -1.232 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.032 -2.612 11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.332 -4.026 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.788 -3.455 11.778 1.00 0.00 H new ATOM 0 HE ARG A 93 8.768 -2.639 14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.794 -1.699 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.785 -0.598 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.054 -1.221 15.613 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.368 -0.329 14.839 1.00 0.00 H new ATOM 1527 N LYS A 94 8.537 0.430 8.187 1.00 0.00 N ATOM 1528 CA LYS A 94 8.625 1.885 8.084 1.00 0.00 C ATOM 1529 C LYS A 94 7.337 2.471 7.499 1.00 0.00 C ATOM 1530 O LYS A 94 6.917 3.564 7.880 1.00 0.00 O ATOM 1531 CB LYS A 94 9.824 2.289 7.219 1.00 0.00 C ATOM 1532 CG LYS A 94 11.115 2.460 8.007 1.00 0.00 C ATOM 1533 CD LYS A 94 12.170 3.202 7.198 1.00 0.00 C ATOM 1534 CE LYS A 94 12.978 4.153 8.070 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.096 3.459 8.772 1.00 0.00 N ATOM 0 H LYS A 94 9.242 -0.074 7.649 1.00 0.00 H new ATOM 0 HA LYS A 94 8.762 2.286 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.976 1.533 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.594 3.224 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.911 3.006 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.498 1.481 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.839 2.483 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.688 3.763 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.381 4.956 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.321 4.616 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.619 4.144 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.711 2.710 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.739 3.039 8.071 1.00 0.00 H new ATOM 1549 N LEU A 95 6.713 1.734 6.577 1.00 0.00 N ATOM 1550 CA LEU A 95 5.470 2.181 5.948 1.00 0.00 C ATOM 1551 C LEU A 95 4.305 2.154 6.940 1.00 0.00 C ATOM 1552 O LEU A 95 3.411 2.997 6.871 1.00 0.00 O ATOM 1553 CB LEU A 95 5.136 1.312 4.729 1.00 0.00 C ATOM 1554 CG LEU A 95 5.400 1.959 3.364 1.00 0.00 C ATOM 1555 CD1 LEU A 95 4.650 3.277 3.237 1.00 0.00 C ATOM 1556 CD2 LEU A 95 6.892 2.168 3.150 1.00 0.00 C ATOM 0 H LEU A 95 7.048 0.827 6.251 1.00 0.00 H new ATOM 0 HA LEU A 95 5.620 3.210 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.714 0.390 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.084 1.032 4.781 1.00 0.00 H new ATOM 0 HG LEU A 95 5.034 1.284 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.852 3.718 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.580 3.098 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.980 3.960 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.059 2.628 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.284 2.820 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.403 1.206 3.189 1.00 0.00 H new ATOM 1568 N GLN A 96 4.319 1.186 7.863 1.00 0.00 N ATOM 1569 CA GLN A 96 3.259 1.067 8.864 1.00 0.00 C ATOM 1570 C GLN A 96 3.116 2.364 9.660 1.00 0.00 C ATOM 1571 O GLN A 96 2.003 2.793 9.966 1.00 0.00 O ATOM 1572 CB GLN A 96 3.538 -0.102 9.815 1.00 0.00 C ATOM 1573 CG GLN A 96 2.936 -1.421 9.354 1.00 0.00 C ATOM 1574 CD GLN A 96 1.871 -1.948 10.300 1.00 0.00 C ATOM 1575 OE1 GLN A 96 0.885 -1.268 10.583 1.00 0.00 O ATOM 1576 NE2 GLN A 96 2.063 -3.167 10.795 1.00 0.00 N ATOM 0 H GLN A 96 5.050 0.478 7.936 1.00 0.00 H new ATOM 0 HA GLN A 96 2.324 0.875 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.616 -0.222 9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.145 0.142 10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.501 -1.289 8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.729 -2.163 9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.894 -3.698 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.379 -3.571 11.435 1.00 0.00 H new ATOM 1585 N ASP A 97 4.251 2.988 9.984 1.00 0.00 N ATOM 1586 CA ASP A 97 4.253 4.241 10.735 1.00 0.00 C ATOM 1587 C ASP A 97 3.591 5.361 9.934 1.00 0.00 C ATOM 1588 O ASP A 97 2.830 6.160 10.480 1.00 0.00 O ATOM 1589 CB ASP A 97 5.684 4.640 11.105 1.00 0.00 C ATOM 1590 CG ASP A 97 6.083 4.138 12.479 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.845 4.861 13.469 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.635 3.020 12.564 1.00 0.00 O ATOM 0 H ASP A 97 5.179 2.644 9.737 1.00 0.00 H new ATOM 0 HA ASP A 97 3.680 4.085 11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.374 4.242 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.775 5.726 11.076 1.00 0.00 H new ATOM 1597 N VAL A 98 3.880 5.411 8.634 1.00 0.00 N ATOM 1598 CA VAL A 98 3.303 6.429 7.761 1.00 0.00 C ATOM 1599 C VAL A 98 1.805 6.188 7.552 1.00 0.00 C ATOM 1600 O VAL A 98 1.031 7.137 7.414 1.00 0.00 O ATOM 1601 CB VAL A 98 4.010 6.472 6.387 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.533 7.669 5.576 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.524 6.509 6.557 1.00 0.00 C ATOM 0 H VAL A 98 4.509 4.760 8.164 1.00 0.00 H new ATOM 0 HA VAL A 98 3.449 7.389 8.257 1.00 0.00 H new ATOM 0 HB VAL A 98 3.751 5.563 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.042 7.682 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.457 7.595 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.758 8.588 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.000 6.539 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.805 7.397 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.852 5.618 7.092 1.00 0.00 H new ATOM 1613 N PHE A 99 1.403 4.914 7.527 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.001 4.552 7.334 1.00 0.00 C ATOM 1615 C PHE A 99 -0.856 4.965 8.532 1.00 0.00 C ATOM 1616 O PHE A 99 -1.918 5.561 8.359 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.141 3.044 7.091 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.513 2.628 6.625 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -2.027 3.100 5.427 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.285 1.765 7.387 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -3.285 2.718 4.998 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.543 1.379 6.962 1.00 0.00 C ATOM 1623 CZ PHE A 99 -4.043 1.857 5.766 1.00 0.00 C ATOM 0 H PHE A 99 2.031 4.118 7.638 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.359 5.091 6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.594 2.735 6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.096 2.513 8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.438 3.774 4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.900 1.390 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.674 3.093 4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.134 0.705 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.026 1.557 5.432 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.394 4.644 9.744 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.137 4.989 10.960 1.00 0.00 C ATOM 1635 C GLU A 100 -1.372 6.497 11.055 1.00 0.00 C ATOM 1636 O GLU A 100 -2.445 6.938 11.471 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.412 4.484 12.216 1.00 0.00 C ATOM 1638 CG GLU A 100 1.012 4.998 12.368 1.00 0.00 C ATOM 1639 CD GLU A 100 1.580 4.747 13.752 1.00 0.00 C ATOM 1640 OE1 GLU A 100 1.012 5.272 14.733 1.00 0.00 O ATOM 1641 OE2 GLU A 100 2.594 4.025 13.855 1.00 0.00 O ATOM 0 H GLU A 100 0.483 4.150 9.909 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.106 4.493 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.987 4.776 13.095 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.392 3.394 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.649 4.517 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.032 6.068 12.160 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.369 7.283 10.660 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.477 8.740 10.696 1.00 0.00 C ATOM 1650 C PHE A 101 -1.439 9.243 9.618 1.00 0.00 C ATOM 1651 O PHE A 101 -2.209 10.176 9.851 1.00 0.00 O ATOM 1652 CB PHE A 101 0.903 9.381 10.513 1.00 0.00 C ATOM 1653 CG PHE A 101 1.288 10.311 11.630 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.900 9.826 12.776 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.038 11.671 11.535 1.00 0.00 C ATOM 1656 CE1 PHE A 101 2.255 10.680 13.804 1.00 0.00 C ATOM 1657 CE2 PHE A 101 1.390 12.530 12.559 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.000 12.033 13.695 1.00 0.00 C ATOM 0 H PHE A 101 0.525 6.935 10.313 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.874 9.027 11.670 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.652 8.593 10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.917 9.931 9.572 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.102 8.769 12.867 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.562 12.065 10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.731 10.289 14.691 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.189 13.587 12.471 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.277 12.702 14.497 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.395 8.617 8.439 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.266 8.997 7.332 1.00 0.00 C ATOM 1670 C ARG A 102 -3.713 8.581 7.604 1.00 0.00 C ATOM 1671 O ARG A 102 -4.648 9.290 7.231 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.772 8.363 6.028 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.829 9.296 4.830 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.930 10.511 5.014 1.00 0.00 C ATOM 1675 NE ARG A 102 -0.819 11.304 3.789 1.00 0.00 N ATOM 1676 CZ ARG A 102 -1.791 12.090 3.314 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -2.956 12.186 3.953 1.00 0.00 N ATOM 1678 NH2 ARG A 102 -1.598 12.781 2.196 1.00 0.00 N ATOM 0 H ARG A 102 -0.763 7.844 8.230 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.236 10.082 7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.744 8.026 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.372 7.478 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.528 8.754 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.857 9.625 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.325 11.136 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.062 10.184 5.325 1.00 0.00 H new ATOM 0 HE ARG A 102 0.054 11.254 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.112 11.658 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.692 12.788 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.709 12.712 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.339 13.381 1.833 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.890 7.429 8.258 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.224 6.922 8.583 1.00 0.00 C ATOM 1694 C TYR A 103 -5.975 7.889 9.499 1.00 0.00 C ATOM 1695 O TYR A 103 -7.201 7.983 9.435 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.130 5.542 9.243 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.230 4.587 8.827 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.594 4.451 7.492 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.904 3.821 9.771 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.596 3.579 7.111 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.907 2.947 9.397 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.248 2.830 8.066 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.246 1.960 7.690 1.00 0.00 O ATOM 0 H TYR A 103 -3.126 6.831 8.572 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.780 6.831 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.165 5.098 8.998 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.159 5.665 10.326 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.085 5.036 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.639 3.910 10.814 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.867 3.485 6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.421 2.359 10.143 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.602 1.508 8.483 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.235 8.613 10.344 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.841 9.580 11.258 1.00 0.00 C ATOM 1715 C ALA A 104 -6.502 10.720 10.484 1.00 0.00 C ATOM 1716 O ALA A 104 -7.583 11.184 10.848 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.800 10.135 12.222 1.00 0.00 C ATOM 0 H ALA A 104 -4.219 8.547 10.413 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.608 9.062 11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.272 10.853 12.893 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.373 9.319 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.010 10.631 11.658 1.00 0.00 H new ATOM 1723 N LYS A 105 -5.843 11.160 9.409 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.363 12.242 8.573 1.00 0.00 C ATOM 1725 C LYS A 105 -7.230 11.708 7.424 1.00 0.00 C ATOM 1726 O LYS A 105 -7.754 12.489 6.627 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.208 13.076 8.005 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.466 13.892 9.053 1.00 0.00 C ATOM 1729 CD LYS A 105 -3.272 13.132 9.613 1.00 0.00 C ATOM 1730 CE LYS A 105 -2.180 14.079 10.092 1.00 0.00 C ATOM 1731 NZ LYS A 105 -0.964 14.011 9.233 1.00 0.00 N ATOM 0 H LYS A 105 -4.948 10.783 9.098 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.991 12.870 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.501 12.411 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.599 13.750 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.127 14.829 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.147 14.149 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.597 12.502 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.870 12.469 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.563 15.100 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.912 13.833 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.246 14.671 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.583 13.043 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.213 14.271 8.257 1.00 0.00 H new ATOM 1745 N MET A 106 -7.380 10.381 7.336 1.00 0.00 N ATOM 1746 CA MET A 106 -8.184 9.765 6.279 1.00 0.00 C ATOM 1747 C MET A 106 -9.639 10.248 6.323 1.00 0.00 C ATOM 1748 O MET A 106 -10.139 10.803 5.343 1.00 0.00 O ATOM 1749 CB MET A 106 -8.134 8.236 6.386 1.00 0.00 C ATOM 1750 CG MET A 106 -7.765 7.545 5.084 1.00 0.00 C ATOM 1751 SD MET A 106 -8.908 7.926 3.742 1.00 0.00 S ATOM 1752 CE MET A 106 -10.462 7.384 4.448 1.00 0.00 C ATOM 0 H MET A 106 -6.956 9.716 7.983 1.00 0.00 H new ATOM 0 HA MET A 106 -7.757 10.069 5.324 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.411 7.958 7.153 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.106 7.872 6.718 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.758 7.843 4.793 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.745 6.467 5.243 1.00 0.00 H new ATOM 0 HE1 MET A 106 -11.056 6.887 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 106 -10.268 6.688 5.264 1.00 0.00 H new ATOM 0 HE3 MET A 106 -11.009 8.246 4.829 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.343 10.041 7.459 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.746 10.460 7.611 1.00 0.00 C ATOM 1764 C PRO A 107 -11.936 11.967 7.428 1.00 0.00 C ATOM 1765 O PRO A 107 -11.208 12.771 8.014 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.101 10.050 9.047 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.793 9.849 9.735 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.837 9.384 8.677 1.00 0.00 C ATOM 0 HA PRO A 107 -12.381 10.000 6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.691 10.822 9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.696 9.137 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.447 10.775 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.881 9.112 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.813 9.682 8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.839 8.298 8.580 1.00 0.00 H new ATOM 1776 N ASP A 108 -12.924 12.339 6.613 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.221 13.745 6.350 1.00 0.00 C ATOM 1778 C ASP A 108 -14.243 14.288 7.349 1.00 0.00 C ATOM 1779 O ASP A 108 -15.111 13.554 7.825 1.00 0.00 O ATOM 1780 CB ASP A 108 -13.747 13.916 4.920 1.00 0.00 C ATOM 1781 CG ASP A 108 -13.261 15.192 4.251 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -12.949 16.168 4.968 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -13.198 15.216 3.004 1.00 0.00 O ATOM 0 H ASP A 108 -13.533 11.683 6.123 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.297 14.312 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.438 13.059 4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.837 13.916 4.938 1.00 0.00 H new