USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD NoAdj-H: B 287 ALY H : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= -0.18 K(o=0.24,f=-4.4!) USER MOD Set 1.2: A 107 TYR OH : rot 98:sc= 0.42 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 151:sc= 1.68 (180deg=1.24) USER MOD Set 2.2: A 65 TYR OH : rot 81:sc= 0.664 USER MOD Set 3.1: A 54 SER OG : rot -88:sc= 1.21 USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0.00382 USER MOD Set 4.1: A 22 HIS : no HD1:sc= -1.06 K(o=-0.72,f=-2.4) USER MOD Set 4.2: A 25 TYR OH : rot -27:sc= 0.336 USER MOD Set 5.1: A 15 LYS NZ :NH3+ 170:sc= 0.838 (180deg=0) USER MOD Set 5.2: A 19 SER OG : rot 58:sc= 1.89 USER MOD Set 6.1: A 10 CYS SG : rot -21:sc= -3.01! USER MOD Set 6.2: A 60 MET CE :methyl -148:sc= -4.21! (180deg=-1.84) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.0573 (180deg=-0.385) USER MOD Single : A 4 SER OG : rot -112:sc= 0.193 USER MOD Single : A 6 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.36) USER MOD Single : A 11 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0754) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.412 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0577 (180deg=-0.348) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.0708 (180deg=-0.853) USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= -0.0743 (180deg=-1.25) USER MOD Single : A 62 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.0073) USER MOD Single : A 78 MET CE :methyl -143:sc= -1.47 (180deg=-3.49!) USER MOD Single : A 80 SER OG : rot 77:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= 0.363 K(o=0.36,f=-0.98) USER MOD Single : A 82 CYS SG : rot 62:sc= 0.49 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.924 USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0.163 (180deg=0.158) USER MOD Single : A 85 TYR OH : rot -15:sc= -0.524 USER MOD Single : A 86 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.3!) USER MOD Single : A 90 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-3.1) USER MOD Single : A 95 MET CE :methyl -107:sc= -0.559 (180deg=-2.48!) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0547 (180deg=-0.271) USER MOD Single : A 100 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.04) USER MOD Single : A 109 LYS NZ :NH3+ 164:sc= -0.0499 (180deg=-0.383) USER MOD Single : A 110 MET CE :methyl 156:sc= -1.46 (180deg=-2.96!) USER MOD Single : B 281 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : B 282 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 288 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.29) USER MOD Single : B 291 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.183 2.563 -4.132 1.00 0.00 N ATOM 2 CA GLY A 1 26.401 2.765 -5.372 1.00 0.00 C ATOM 3 C GLY A 1 25.451 3.934 -5.251 1.00 0.00 C ATOM 4 O GLY A 1 25.835 5.006 -4.783 1.00 0.00 O ATOM 0 H1 GLY A 1 27.823 1.752 -4.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.741 3.417 -3.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.536 2.377 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.081 2.934 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.837 1.860 -5.598 1.00 0.00 H new ATOM 10 N LYS A 2 24.212 3.729 -5.674 1.00 0.00 N ATOM 11 CA LYS A 2 23.179 4.746 -5.549 1.00 0.00 C ATOM 12 C LYS A 2 22.017 4.208 -4.731 1.00 0.00 C ATOM 13 O LYS A 2 21.943 3.004 -4.476 1.00 0.00 O ATOM 14 CB LYS A 2 22.680 5.189 -6.925 1.00 0.00 C ATOM 15 CG LYS A 2 23.751 5.813 -7.802 1.00 0.00 C ATOM 16 CD LYS A 2 24.332 7.065 -7.170 1.00 0.00 C ATOM 17 CE LYS A 2 25.297 7.766 -8.110 1.00 0.00 C ATOM 18 NZ LYS A 2 24.620 8.239 -9.347 1.00 0.00 N ATOM 0 H LYS A 2 23.897 2.862 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 2 23.610 5.610 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.259 4.326 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.871 5.907 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.547 5.089 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 23.327 6.059 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.525 7.746 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.848 6.802 -6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 2 25.751 8.614 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.105 7.084 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.217 8.946 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.463 7.434 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.705 8.668 -9.100 1.00 0.00 H new ATOM 32 N LEU A 3 21.111 5.104 -4.335 1.00 0.00 N ATOM 33 CA LEU A 3 19.936 4.741 -3.548 1.00 0.00 C ATOM 34 C LEU A 3 20.290 4.135 -2.203 1.00 0.00 C ATOM 35 O LEU A 3 19.499 3.423 -1.610 1.00 0.00 O ATOM 36 CB LEU A 3 19.076 3.763 -4.308 1.00 0.00 C ATOM 37 CG LEU A 3 17.795 4.347 -4.860 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.047 3.295 -5.658 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.933 4.886 -3.729 1.00 0.00 C ATOM 0 H LEU A 3 21.173 6.099 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 3 19.393 5.669 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.658 3.353 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.826 2.931 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 3 18.038 5.175 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.126 3.724 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.671 2.954 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.807 2.451 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.014 5.304 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.688 4.077 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.478 5.664 -3.195 1.00 0.00 H new ATOM 51 N SER A 4 21.478 4.420 -1.756 1.00 0.00 N ATOM 52 CA SER A 4 21.988 3.959 -0.463 1.00 0.00 C ATOM 53 C SER A 4 21.773 2.447 -0.244 1.00 0.00 C ATOM 54 O SER A 4 21.400 1.703 -1.157 1.00 0.00 O ATOM 55 CB SER A 4 21.334 4.764 0.671 1.00 0.00 C ATOM 56 OG SER A 4 21.932 4.480 1.928 1.00 0.00 O ATOM 0 H SER A 4 22.145 4.989 -2.277 1.00 0.00 H new ATOM 0 HA SER A 4 23.065 4.126 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.422 5.830 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.269 4.534 0.714 1.00 0.00 H new ATOM 0 HG SER A 4 21.290 4.005 2.496 1.00 0.00 H new ATOM 62 N GLU A 5 22.018 1.993 0.967 1.00 0.00 N ATOM 63 CA GLU A 5 21.832 0.596 1.304 1.00 0.00 C ATOM 64 C GLU A 5 20.387 0.343 1.719 1.00 0.00 C ATOM 65 O GLU A 5 19.734 -0.568 1.201 1.00 0.00 O ATOM 66 CB GLU A 5 22.794 0.177 2.422 1.00 0.00 C ATOM 67 CG GLU A 5 24.248 0.038 1.981 1.00 0.00 C ATOM 68 CD GLU A 5 24.831 1.309 1.394 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.218 1.297 0.206 1.00 0.00 O ATOM 70 OE2 GLU A 5 24.904 2.329 2.114 1.00 0.00 O ATOM 0 H GLU A 5 22.348 2.573 1.738 1.00 0.00 H new ATOM 0 HA GLU A 5 22.052 -0.006 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.739 0.911 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.460 -0.775 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.851 -0.266 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.319 -0.759 1.241 1.00 0.00 H new ATOM 77 N GLN A 6 19.888 1.173 2.631 1.00 0.00 N ATOM 78 CA GLN A 6 18.517 1.049 3.121 1.00 0.00 C ATOM 79 C GLN A 6 17.533 1.235 1.971 1.00 0.00 C ATOM 80 O GLN A 6 16.592 0.459 1.810 1.00 0.00 O ATOM 81 CB GLN A 6 18.217 2.089 4.214 1.00 0.00 C ATOM 82 CG GLN A 6 18.922 1.878 5.557 1.00 0.00 C ATOM 83 CD GLN A 6 20.419 1.668 5.446 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.190 2.625 5.423 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.842 0.415 5.407 1.00 0.00 N ATOM 0 H GLN A 6 20.414 1.941 3.047 1.00 0.00 H new ATOM 0 HA GLN A 6 18.406 0.053 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.490 3.074 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.141 2.102 4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.734 2.743 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.481 1.014 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.169 -0.351 5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.841 0.215 5.356 1.00 0.00 H new ATOM 94 N LEU A 7 17.776 2.256 1.158 1.00 0.00 N ATOM 95 CA LEU A 7 16.858 2.613 0.084 1.00 0.00 C ATOM 96 C LEU A 7 16.961 1.642 -1.095 1.00 0.00 C ATOM 97 O LEU A 7 15.977 1.395 -1.788 1.00 0.00 O ATOM 98 CB LEU A 7 17.112 4.048 -0.374 1.00 0.00 C ATOM 99 CG LEU A 7 16.845 5.120 0.671 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.342 6.467 0.174 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.366 5.185 1.012 1.00 0.00 C ATOM 0 H LEU A 7 18.602 2.851 1.222 1.00 0.00 H new ATOM 0 HA LEU A 7 15.843 2.542 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.149 4.130 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.489 4.250 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 7 17.387 4.862 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.146 7.228 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.414 6.412 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.823 6.729 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.199 5.959 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.796 5.421 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.041 4.222 1.406 1.00 0.00 H new ATOM 113 N LYS A 8 18.142 1.086 -1.341 1.00 0.00 N ATOM 114 CA LYS A 8 18.263 0.054 -2.357 1.00 0.00 C ATOM 115 C LYS A 8 17.457 -1.170 -1.949 1.00 0.00 C ATOM 116 O LYS A 8 16.844 -1.836 -2.785 1.00 0.00 O ATOM 117 CB LYS A 8 19.726 -0.312 -2.578 1.00 0.00 C ATOM 118 CG LYS A 8 19.952 -1.408 -3.609 1.00 0.00 C ATOM 119 CD LYS A 8 19.389 -1.039 -4.977 1.00 0.00 C ATOM 120 CE LYS A 8 19.984 0.254 -5.512 1.00 0.00 C ATOM 121 NZ LYS A 8 19.577 0.505 -6.922 1.00 0.00 N ATOM 0 H LYS A 8 19.010 1.327 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 8 17.866 0.437 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.268 0.581 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.156 -0.630 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.020 -1.605 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.486 -2.331 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.589 -1.847 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.306 -0.937 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.664 1.088 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.071 0.208 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.002 1.395 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.904 -0.279 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.541 0.574 -6.977 1.00 0.00 H new ATOM 135 N HIS A 9 17.432 -1.443 -0.654 1.00 0.00 N ATOM 136 CA HIS A 9 16.660 -2.558 -0.141 1.00 0.00 C ATOM 137 C HIS A 9 15.166 -2.242 -0.226 1.00 0.00 C ATOM 138 O HIS A 9 14.357 -3.129 -0.492 1.00 0.00 O ATOM 139 CB HIS A 9 17.061 -2.880 1.301 1.00 0.00 C ATOM 140 CG HIS A 9 16.851 -4.319 1.675 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.870 -5.135 2.114 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.733 -5.082 1.685 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.389 -6.336 2.375 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.094 -6.330 2.124 1.00 0.00 N ATOM 0 H HIS A 9 17.935 -0.910 0.055 1.00 0.00 H new ATOM 0 HA HIS A 9 16.869 -3.436 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.111 -2.626 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.486 -2.249 1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.740 -4.766 1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.959 -7.180 2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.464 -7.124 2.238 1.00 0.00 H new ATOM 153 N CYS A 10 14.800 -0.973 -0.024 1.00 0.00 N ATOM 154 CA CYS A 10 13.398 -0.577 -0.127 1.00 0.00 C ATOM 155 C CYS A 10 12.952 -0.614 -1.583 1.00 0.00 C ATOM 156 O CYS A 10 11.786 -0.888 -1.880 1.00 0.00 O ATOM 157 CB CYS A 10 13.138 0.812 0.491 1.00 0.00 C ATOM 158 SG CYS A 10 13.699 2.229 -0.476 1.00 0.00 S ATOM 0 H CYS A 10 15.444 -0.216 0.208 1.00 0.00 H new ATOM 0 HA CYS A 10 12.808 -1.293 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.067 0.916 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.622 0.849 1.467 1.00 0.00 H new ATOM 0 HG CYS A 10 14.616 1.847 -1.314 1.00 0.00 H new ATOM 164 N ASN A 11 13.896 -0.364 -2.488 1.00 0.00 N ATOM 165 CA ASN A 11 13.629 -0.442 -3.917 1.00 0.00 C ATOM 166 C ASN A 11 13.260 -1.872 -4.302 1.00 0.00 C ATOM 167 O ASN A 11 12.327 -2.104 -5.074 1.00 0.00 O ATOM 168 CB ASN A 11 14.859 0.026 -4.708 1.00 0.00 C ATOM 169 CG ASN A 11 14.659 -0.034 -6.214 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.149 0.906 -6.825 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.087 -1.125 -6.826 1.00 0.00 N ATOM 0 H ASN A 11 14.854 -0.105 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 11 12.791 0.211 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.101 1.049 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.715 -0.592 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.000 -1.209 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.504 -1.883 -6.285 1.00 0.00 H new ATOM 178 N GLY A 12 13.985 -2.828 -3.727 1.00 0.00 N ATOM 179 CA GLY A 12 13.753 -4.227 -4.029 1.00 0.00 C ATOM 180 C GLY A 12 12.460 -4.741 -3.428 1.00 0.00 C ATOM 181 O GLY A 12 11.728 -5.497 -4.068 1.00 0.00 O ATOM 0 H GLY A 12 14.732 -2.656 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.727 -4.363 -5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.586 -4.820 -3.653 1.00 0.00 H new ATOM 185 N ILE A 13 12.184 -4.332 -2.195 1.00 0.00 N ATOM 186 CA ILE A 13 10.952 -4.716 -1.514 1.00 0.00 C ATOM 187 C ILE A 13 9.731 -4.227 -2.291 1.00 0.00 C ATOM 188 O ILE A 13 8.814 -4.999 -2.577 1.00 0.00 O ATOM 189 CB ILE A 13 10.912 -4.159 -0.071 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.990 -4.823 0.795 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.538 -4.350 0.541 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.169 -4.186 2.158 1.00 0.00 C ATOM 0 H ILE A 13 12.799 -3.732 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 13 10.930 -5.805 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 13 11.119 -3.090 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.737 -5.875 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.940 -4.789 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.533 -3.951 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.796 -3.824 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.296 -5.412 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.949 -4.714 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.455 -3.141 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.232 -4.244 2.713 1.00 0.00 H new ATOM 204 N LEU A 14 9.744 -2.945 -2.642 1.00 0.00 N ATOM 205 CA LEU A 14 8.669 -2.338 -3.419 1.00 0.00 C ATOM 206 C LEU A 14 8.457 -3.093 -4.722 1.00 0.00 C ATOM 207 O LEU A 14 7.336 -3.450 -5.071 1.00 0.00 O ATOM 208 CB LEU A 14 9.011 -0.886 -3.734 1.00 0.00 C ATOM 209 CG LEU A 14 7.858 0.093 -3.610 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.402 1.496 -3.686 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.823 -0.120 -4.698 1.00 0.00 C ATOM 0 H LEU A 14 10.496 -2.301 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 14 7.754 -2.382 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.812 -0.566 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.402 -0.834 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 14 7.364 -0.071 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.582 2.209 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.111 1.656 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.907 1.639 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.013 0.599 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.288 0.019 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.423 -1.132 -4.627 1.00 0.00 H new ATOM 223 N LYS A 15 9.557 -3.329 -5.429 1.00 0.00 N ATOM 224 CA LYS A 15 9.546 -4.061 -6.677 1.00 0.00 C ATOM 225 C LYS A 15 8.852 -5.407 -6.513 1.00 0.00 C ATOM 226 O LYS A 15 8.081 -5.828 -7.372 1.00 0.00 O ATOM 227 CB LYS A 15 10.990 -4.229 -7.163 1.00 0.00 C ATOM 228 CG LYS A 15 11.281 -5.586 -7.756 1.00 0.00 C ATOM 229 CD LYS A 15 10.691 -5.758 -9.142 1.00 0.00 C ATOM 230 CE LYS A 15 11.101 -7.092 -9.729 1.00 0.00 C ATOM 231 NZ LYS A 15 10.081 -7.626 -10.670 1.00 0.00 N ATOM 0 H LYS A 15 10.484 -3.013 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 15 8.981 -3.504 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.203 -3.464 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.667 -4.056 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.360 -5.733 -7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.883 -6.358 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.604 -5.694 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.028 -4.949 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.052 -6.981 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.261 -7.808 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.471 -8.448 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.236 -7.915 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.822 -6.889 -11.357 1.00 0.00 H new ATOM 245 N GLU A 16 9.095 -6.052 -5.391 1.00 0.00 N ATOM 246 CA GLU A 16 8.570 -7.393 -5.163 1.00 0.00 C ATOM 247 C GLU A 16 7.062 -7.346 -4.948 1.00 0.00 C ATOM 248 O GLU A 16 6.319 -8.144 -5.521 1.00 0.00 O ATOM 249 CB GLU A 16 9.249 -8.056 -3.956 1.00 0.00 C ATOM 250 CG GLU A 16 8.737 -9.461 -3.649 1.00 0.00 C ATOM 251 CD GLU A 16 8.968 -9.870 -2.219 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.935 -9.378 -1.607 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.198 -10.715 -1.713 1.00 0.00 O ATOM 0 H GLU A 16 9.650 -5.676 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 16 8.785 -7.990 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.323 -8.103 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.101 -7.427 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.670 -9.509 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.230 -10.174 -4.310 1.00 0.00 H new ATOM 260 N LEU A 17 6.621 -6.403 -4.130 1.00 0.00 N ATOM 261 CA LEU A 17 5.194 -6.198 -3.885 1.00 0.00 C ATOM 262 C LEU A 17 4.501 -5.770 -5.184 1.00 0.00 C ATOM 263 O LEU A 17 3.298 -5.953 -5.350 1.00 0.00 O ATOM 264 CB LEU A 17 5.000 -5.139 -2.787 1.00 0.00 C ATOM 265 CG LEU A 17 5.649 -5.458 -1.437 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.863 -4.178 -0.656 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.787 -6.415 -0.625 1.00 0.00 C ATOM 0 H LEU A 17 7.230 -5.763 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 17 4.745 -7.132 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.400 -4.191 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.931 -4.995 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 17 6.609 -5.939 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.325 -4.410 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.515 -3.512 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.903 -3.690 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.273 -6.623 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.812 -5.962 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.658 -7.346 -1.177 1.00 0.00 H new ATOM 279 N LEU A 18 5.289 -5.222 -6.108 1.00 0.00 N ATOM 280 CA LEU A 18 4.788 -4.791 -7.412 1.00 0.00 C ATOM 281 C LEU A 18 4.913 -5.887 -8.468 1.00 0.00 C ATOM 282 O LEU A 18 4.415 -5.747 -9.587 1.00 0.00 O ATOM 283 CB LEU A 18 5.556 -3.572 -7.896 1.00 0.00 C ATOM 284 CG LEU A 18 5.277 -2.290 -7.129 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.033 -1.132 -7.747 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.791 -1.997 -7.102 1.00 0.00 C ATOM 0 H LEU A 18 6.288 -5.065 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 18 3.733 -4.552 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.623 -3.787 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.321 -3.407 -8.947 1.00 0.00 H new ATOM 0 HG LEU A 18 5.619 -2.421 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.823 -0.221 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.103 -1.338 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.717 -1.003 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.612 -1.075 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.424 -1.885 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.267 -2.820 -6.616 1.00 0.00 H new ATOM 298 N SER A 19 5.616 -6.947 -8.128 1.00 0.00 N ATOM 299 CA SER A 19 5.810 -8.065 -9.041 1.00 0.00 C ATOM 300 C SER A 19 4.546 -8.916 -9.148 1.00 0.00 C ATOM 301 O SER A 19 3.786 -9.060 -8.184 1.00 0.00 O ATOM 302 CB SER A 19 6.990 -8.917 -8.576 1.00 0.00 C ATOM 303 OG SER A 19 8.191 -8.162 -8.579 1.00 0.00 O ATOM 0 H SER A 19 6.067 -7.062 -7.221 1.00 0.00 H new ATOM 0 HA SER A 19 6.027 -7.666 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.797 -9.297 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.098 -9.783 -9.229 1.00 0.00 H new ATOM 0 HG SER A 19 8.085 -7.376 -8.003 1.00 0.00 H new ATOM 309 N LYS A 20 4.351 -9.490 -10.341 1.00 0.00 N ATOM 310 CA LYS A 20 3.152 -10.263 -10.673 1.00 0.00 C ATOM 311 C LYS A 20 2.946 -11.435 -9.723 1.00 0.00 C ATOM 312 O LYS A 20 1.830 -11.935 -9.580 1.00 0.00 O ATOM 313 CB LYS A 20 3.225 -10.755 -12.119 1.00 0.00 C ATOM 314 CG LYS A 20 3.013 -9.640 -13.129 1.00 0.00 C ATOM 315 CD LYS A 20 1.553 -9.214 -13.190 1.00 0.00 C ATOM 316 CE LYS A 20 1.338 -8.044 -14.139 1.00 0.00 C ATOM 317 NZ LYS A 20 1.713 -8.374 -15.539 1.00 0.00 N ATOM 0 H LYS A 20 5.024 -9.430 -11.105 1.00 0.00 H new ATOM 0 HA LYS A 20 2.293 -9.601 -10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.197 -11.217 -12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.472 -11.528 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.632 -8.784 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.337 -9.974 -14.115 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.943 -10.058 -13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.214 -8.938 -12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.291 -7.742 -14.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.926 -7.191 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.424 -7.598 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.743 -8.505 -15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.235 -9.251 -15.829 1.00 0.00 H new ATOM 331 N LYS A 21 4.028 -11.859 -9.085 1.00 0.00 N ATOM 332 CA LYS A 21 3.982 -12.884 -8.051 1.00 0.00 C ATOM 333 C LYS A 21 2.976 -12.522 -6.958 1.00 0.00 C ATOM 334 O LYS A 21 2.246 -13.379 -6.456 1.00 0.00 O ATOM 335 CB LYS A 21 5.377 -13.049 -7.443 1.00 0.00 C ATOM 336 CG LYS A 21 5.422 -13.950 -6.222 1.00 0.00 C ATOM 337 CD LYS A 21 6.818 -14.032 -5.645 1.00 0.00 C ATOM 338 CE LYS A 21 6.934 -15.230 -4.727 1.00 0.00 C ATOM 339 NZ LYS A 21 8.194 -15.218 -3.940 1.00 0.00 N ATOM 0 H LYS A 21 4.965 -11.501 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 21 3.661 -13.822 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.047 -13.452 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.760 -12.066 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.736 -13.572 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.080 -14.949 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.548 -14.110 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.046 -13.119 -5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.083 -15.247 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.887 -16.144 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.228 -16.057 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.008 -15.229 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.229 -14.359 -3.354 1.00 0.00 H new ATOM 353 N HIS A 22 2.929 -11.244 -6.602 1.00 0.00 N ATOM 354 CA HIS A 22 2.049 -10.789 -5.536 1.00 0.00 C ATOM 355 C HIS A 22 0.864 -10.032 -6.111 1.00 0.00 C ATOM 356 O HIS A 22 -0.129 -9.830 -5.425 1.00 0.00 O ATOM 357 CB HIS A 22 2.807 -9.898 -4.536 1.00 0.00 C ATOM 358 CG HIS A 22 3.931 -10.601 -3.828 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.742 -11.455 -2.760 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.267 -10.559 -4.037 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.911 -11.904 -2.341 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.862 -11.374 -3.095 1.00 0.00 N ATOM 0 H HIS A 22 3.488 -10.508 -7.034 1.00 0.00 H new ATOM 0 HA HIS A 22 1.684 -11.668 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.208 -9.033 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.103 -9.520 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.776 -9.991 -4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.066 -12.589 -1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.864 -11.540 -2.996 1.00 0.00 H new ATOM 371 N ALA A 23 0.969 -9.646 -7.384 1.00 0.00 N ATOM 372 CA ALA A 23 -0.046 -8.830 -8.058 1.00 0.00 C ATOM 373 C ALA A 23 -1.457 -9.375 -7.881 1.00 0.00 C ATOM 374 O ALA A 23 -2.418 -8.606 -7.797 1.00 0.00 O ATOM 375 CB ALA A 23 0.284 -8.720 -9.533 1.00 0.00 C ATOM 0 H ALA A 23 1.761 -9.890 -7.979 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.027 -7.845 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.472 -8.113 -10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.261 -8.253 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.301 -9.715 -9.977 1.00 0.00 H new ATOM 381 N ALA A 24 -1.568 -10.699 -7.807 1.00 0.00 N ATOM 382 CA ALA A 24 -2.850 -11.375 -7.622 1.00 0.00 C ATOM 383 C ALA A 24 -3.578 -10.877 -6.372 1.00 0.00 C ATOM 384 O ALA A 24 -4.797 -11.002 -6.259 1.00 0.00 O ATOM 385 CB ALA A 24 -2.620 -12.876 -7.537 1.00 0.00 C ATOM 0 H ALA A 24 -0.772 -11.334 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.484 -11.147 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.575 -13.383 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.153 -13.225 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.967 -13.097 -6.693 1.00 0.00 H new ATOM 391 N TYR A 25 -2.825 -10.322 -5.433 1.00 0.00 N ATOM 392 CA TYR A 25 -3.396 -9.764 -4.217 1.00 0.00 C ATOM 393 C TYR A 25 -2.663 -8.480 -3.810 1.00 0.00 C ATOM 394 O TYR A 25 -2.731 -8.052 -2.660 1.00 0.00 O ATOM 395 CB TYR A 25 -3.366 -10.811 -3.087 1.00 0.00 C ATOM 396 CG TYR A 25 -2.070 -11.587 -2.980 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.928 -11.010 -2.448 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.998 -12.909 -3.405 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.249 -11.725 -2.349 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.822 -13.627 -3.307 1.00 0.00 C ATOM 401 CZ TYR A 25 0.298 -13.028 -2.780 1.00 0.00 C ATOM 402 OH TYR A 25 1.474 -13.733 -2.674 1.00 0.00 O ATOM 0 H TYR A 25 -1.810 -10.246 -5.492 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.436 -9.500 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.552 -10.308 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.184 -11.515 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.959 -9.986 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.876 -13.382 -3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.130 -11.260 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.782 -14.653 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 25 2.231 -13.111 -2.693 1.00 0.00 H new ATOM 412 N ALA A 26 -1.971 -7.865 -4.772 1.00 0.00 N ATOM 413 CA ALA A 26 -1.229 -6.627 -4.521 1.00 0.00 C ATOM 414 C ALA A 26 -1.779 -5.463 -5.351 1.00 0.00 C ATOM 415 O ALA A 26 -1.461 -4.295 -5.094 1.00 0.00 O ATOM 416 CB ALA A 26 0.256 -6.814 -4.826 1.00 0.00 C ATOM 0 H ALA A 26 -1.909 -8.204 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.352 -6.387 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.787 -5.882 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.662 -7.602 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.380 -7.092 -5.873 1.00 0.00 H new ATOM 422 N TRP A 27 -2.612 -5.774 -6.344 1.00 0.00 N ATOM 423 CA TRP A 27 -3.135 -4.741 -7.239 1.00 0.00 C ATOM 424 C TRP A 27 -3.872 -3.594 -6.505 1.00 0.00 C ATOM 425 O TRP A 27 -3.791 -2.454 -6.963 1.00 0.00 O ATOM 426 CB TRP A 27 -4.028 -5.338 -8.343 1.00 0.00 C ATOM 427 CG TRP A 27 -5.234 -6.088 -7.860 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.311 -7.423 -7.590 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.542 -5.552 -7.607 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.576 -7.749 -7.175 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.351 -6.619 -7.178 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.106 -4.273 -7.693 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.691 -6.449 -6.842 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.435 -4.108 -7.360 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.214 -5.190 -6.940 1.00 0.00 C ATOM 0 H TRP A 27 -2.936 -6.719 -6.548 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.255 -4.297 -7.704 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.361 -4.530 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.423 -6.010 -8.952 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.494 -8.122 -7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.890 -8.682 -6.907 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.511 -3.431 -8.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.296 -7.282 -6.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.881 -3.126 -7.425 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.251 -5.028 -6.688 1.00 0.00 H new ATOM 446 N PRO A 28 -4.606 -3.842 -5.373 1.00 0.00 N ATOM 447 CA PRO A 28 -5.259 -2.757 -4.619 1.00 0.00 C ATOM 448 C PRO A 28 -4.296 -1.651 -4.192 1.00 0.00 C ATOM 449 O PRO A 28 -4.723 -0.554 -3.836 1.00 0.00 O ATOM 450 CB PRO A 28 -5.829 -3.429 -3.358 1.00 0.00 C ATOM 451 CG PRO A 28 -5.382 -4.855 -3.387 1.00 0.00 C ATOM 452 CD PRO A 28 -4.912 -5.162 -4.786 1.00 0.00 C ATOM 0 HA PRO A 28 -6.010 -2.277 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.470 -2.930 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.917 -3.365 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.578 -5.018 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.200 -5.518 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.032 -5.805 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.681 -5.682 -5.358 1.00 0.00 H new ATOM 460 N PHE A 29 -3.002 -1.940 -4.216 1.00 0.00 N ATOM 461 CA PHE A 29 -2.010 -0.996 -3.705 1.00 0.00 C ATOM 462 C PHE A 29 -1.098 -0.469 -4.808 1.00 0.00 C ATOM 463 O PHE A 29 -0.300 0.443 -4.572 1.00 0.00 O ATOM 464 CB PHE A 29 -1.164 -1.653 -2.618 1.00 0.00 C ATOM 465 CG PHE A 29 -1.910 -2.686 -1.824 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.585 -4.027 -1.941 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.948 -2.322 -0.982 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.279 -4.983 -1.233 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.642 -3.277 -0.269 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.306 -4.609 -0.398 1.00 0.00 C ATOM 0 H PHE A 29 -2.615 -2.811 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.558 -0.151 -3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.293 -2.119 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.794 -0.883 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.779 -4.326 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.216 -1.281 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.017 -6.026 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.447 -2.983 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.850 -5.359 0.157 1.00 0.00 H new ATOM 480 N TYR A 30 -1.189 -1.062 -5.998 1.00 0.00 N ATOM 481 CA TYR A 30 -0.411 -0.593 -7.145 1.00 0.00 C ATOM 482 C TYR A 30 -0.678 0.882 -7.426 1.00 0.00 C ATOM 483 O TYR A 30 0.245 1.691 -7.458 1.00 0.00 O ATOM 484 CB TYR A 30 -0.716 -1.435 -8.393 1.00 0.00 C ATOM 485 CG TYR A 30 -0.018 -2.777 -8.403 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.469 -3.320 -7.230 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.165 -3.493 -9.580 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.118 -4.532 -7.216 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.814 -4.714 -9.574 1.00 0.00 C ATOM 490 CZ TYR A 30 1.288 -5.225 -8.386 1.00 0.00 C ATOM 491 OH TYR A 30 1.934 -6.435 -8.366 1.00 0.00 O ATOM 0 H TYR A 30 -1.790 -1.863 -6.193 1.00 0.00 H new ATOM 0 HA TYR A 30 0.644 -0.708 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.792 -1.594 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.421 -0.875 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.337 -2.781 -6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.205 -3.090 -10.512 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.492 -4.936 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.948 -5.263 -10.494 1.00 0.00 H new ATOM 0 HH TYR A 30 2.519 -6.507 -9.149 1.00 0.00 H new ATOM 501 N LYS A 31 -1.944 1.227 -7.593 1.00 0.00 N ATOM 502 CA LYS A 31 -2.342 2.588 -7.909 1.00 0.00 C ATOM 503 C LYS A 31 -3.506 2.999 -7.012 1.00 0.00 C ATOM 504 O LYS A 31 -4.184 2.132 -6.460 1.00 0.00 O ATOM 505 CB LYS A 31 -2.748 2.684 -9.382 1.00 0.00 C ATOM 506 CG LYS A 31 -1.573 2.603 -10.340 1.00 0.00 C ATOM 507 CD LYS A 31 -2.023 2.723 -11.787 1.00 0.00 C ATOM 508 CE LYS A 31 -0.912 2.345 -12.752 1.00 0.00 C ATOM 509 NZ LYS A 31 -0.562 0.903 -12.655 1.00 0.00 N ATOM 0 H LYS A 31 -2.723 0.573 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.503 3.261 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.449 1.881 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.275 3.624 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.862 3.397 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.051 1.657 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.886 2.079 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.345 3.745 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.222 2.576 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.028 2.948 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.055 0.610 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.045 0.748 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.431 0.341 -12.558 1.00 0.00 H new ATOM 523 N PRO A 32 -3.757 4.312 -6.853 1.00 0.00 N ATOM 524 CA PRO A 32 -4.859 4.813 -6.017 1.00 0.00 C ATOM 525 C PRO A 32 -6.207 4.246 -6.449 1.00 0.00 C ATOM 526 O PRO A 32 -6.434 3.983 -7.635 1.00 0.00 O ATOM 527 CB PRO A 32 -4.825 6.334 -6.240 1.00 0.00 C ATOM 528 CG PRO A 32 -3.995 6.532 -7.461 1.00 0.00 C ATOM 529 CD PRO A 32 -2.995 5.416 -7.455 1.00 0.00 C ATOM 0 HA PRO A 32 -4.741 4.523 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.829 6.734 -6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.392 6.848 -5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.609 6.503 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.499 7.503 -7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.652 5.172 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.111 5.666 -6.869 1.00 0.00 H new ATOM 537 N VAL A 33 -7.095 4.043 -5.485 1.00 0.00 N ATOM 538 CA VAL A 33 -8.412 3.495 -5.774 1.00 0.00 C ATOM 539 C VAL A 33 -9.227 4.508 -6.568 1.00 0.00 C ATOM 540 O VAL A 33 -9.082 5.720 -6.388 1.00 0.00 O ATOM 541 CB VAL A 33 -9.172 3.075 -4.483 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.200 2.667 -3.394 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.127 4.152 -3.987 1.00 0.00 C ATOM 0 H VAL A 33 -6.928 4.249 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.273 2.592 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.784 2.212 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.754 2.378 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.601 1.824 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.545 3.506 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.630 3.805 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.567 5.060 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.869 4.363 -4.757 1.00 0.00 H new ATOM 553 N ASP A 34 -10.068 4.014 -7.456 1.00 0.00 N ATOM 554 CA ASP A 34 -10.856 4.888 -8.319 1.00 0.00 C ATOM 555 C ASP A 34 -12.167 5.236 -7.642 1.00 0.00 C ATOM 556 O ASP A 34 -13.226 4.801 -8.077 1.00 0.00 O ATOM 557 CB ASP A 34 -11.125 4.233 -9.681 1.00 0.00 C ATOM 558 CG ASP A 34 -9.857 3.962 -10.464 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.362 4.888 -11.141 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.348 2.823 -10.415 1.00 0.00 O ATOM 0 H ASP A 34 -10.226 3.017 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.284 5.799 -8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.660 3.295 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.777 4.880 -10.268 1.00 0.00 H new ATOM 565 N ALA A 35 -12.087 6.029 -6.577 1.00 0.00 N ATOM 566 CA ALA A 35 -13.250 6.349 -5.751 1.00 0.00 C ATOM 567 C ALA A 35 -14.395 6.940 -6.573 1.00 0.00 C ATOM 568 O ALA A 35 -15.562 6.754 -6.240 1.00 0.00 O ATOM 569 CB ALA A 35 -12.864 7.305 -4.630 1.00 0.00 C ATOM 0 H ALA A 35 -11.221 6.466 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.603 5.412 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.743 7.531 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.102 6.842 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.470 8.227 -5.058 1.00 0.00 H new ATOM 575 N SER A 36 -14.066 7.641 -7.650 1.00 0.00 N ATOM 576 CA SER A 36 -15.087 8.226 -8.509 1.00 0.00 C ATOM 577 C SER A 36 -15.858 7.135 -9.257 1.00 0.00 C ATOM 578 O SER A 36 -17.075 7.217 -9.409 1.00 0.00 O ATOM 579 CB SER A 36 -14.446 9.199 -9.494 1.00 0.00 C ATOM 580 OG SER A 36 -13.622 10.130 -8.812 1.00 0.00 O ATOM 0 H SER A 36 -13.107 7.818 -7.948 1.00 0.00 H new ATOM 0 HA SER A 36 -15.795 8.772 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.854 8.648 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.222 9.729 -10.047 1.00 0.00 H new ATOM 0 HG SER A 36 -13.218 10.745 -9.459 1.00 0.00 H new ATOM 586 N ALA A 37 -15.145 6.109 -9.704 1.00 0.00 N ATOM 587 CA ALA A 37 -15.764 4.982 -10.395 1.00 0.00 C ATOM 588 C ALA A 37 -16.290 3.949 -9.399 1.00 0.00 C ATOM 589 O ALA A 37 -17.158 3.137 -9.721 1.00 0.00 O ATOM 590 CB ALA A 37 -14.760 4.339 -11.339 1.00 0.00 C ATOM 0 H ALA A 37 -14.133 6.033 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.610 5.356 -10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.229 3.499 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.429 5.073 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.901 3.983 -10.770 1.00 0.00 H new ATOM 596 N LEU A 38 -15.748 3.988 -8.191 1.00 0.00 N ATOM 597 CA LEU A 38 -16.135 3.067 -7.128 1.00 0.00 C ATOM 598 C LEU A 38 -17.361 3.579 -6.374 1.00 0.00 C ATOM 599 O LEU A 38 -17.958 2.854 -5.584 1.00 0.00 O ATOM 600 CB LEU A 38 -14.959 2.870 -6.162 1.00 0.00 C ATOM 601 CG LEU A 38 -13.794 2.041 -6.712 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.525 2.278 -5.903 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.151 0.566 -6.713 1.00 0.00 C ATOM 0 H LEU A 38 -15.028 4.657 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.397 2.110 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.581 3.850 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.330 2.390 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.606 2.358 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.714 1.678 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.255 3.333 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.697 1.993 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.314 -0.011 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.367 0.243 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.029 0.405 -7.339 1.00 0.00 H new ATOM 615 N GLY A 39 -17.732 4.830 -6.624 1.00 0.00 N ATOM 616 CA GLY A 39 -18.884 5.414 -5.955 1.00 0.00 C ATOM 617 C GLY A 39 -18.544 5.925 -4.569 1.00 0.00 C ATOM 618 O GLY A 39 -19.412 6.388 -3.829 1.00 0.00 O ATOM 0 H GLY A 39 -17.256 5.452 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.274 6.235 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.676 4.668 -5.881 1.00 0.00 H new ATOM 622 N LEU A 40 -17.270 5.842 -4.224 1.00 0.00 N ATOM 623 CA LEU A 40 -16.794 6.248 -2.916 1.00 0.00 C ATOM 624 C LEU A 40 -16.602 7.760 -2.871 1.00 0.00 C ATOM 625 O LEU A 40 -15.503 8.265 -3.093 1.00 0.00 O ATOM 626 CB LEU A 40 -15.476 5.539 -2.609 1.00 0.00 C ATOM 627 CG LEU A 40 -15.425 4.056 -2.991 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.159 3.413 -2.457 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.654 3.314 -2.496 1.00 0.00 C ATOM 0 H LEU A 40 -16.539 5.492 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.533 5.971 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.673 6.059 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.274 5.629 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.416 3.991 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.140 2.360 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.289 3.917 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.137 3.499 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.586 2.265 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.712 3.389 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.548 3.754 -2.938 1.00 0.00 H new ATOM 641 N HIS A 41 -17.678 8.476 -2.577 1.00 0.00 N ATOM 642 CA HIS A 41 -17.663 9.939 -2.605 1.00 0.00 C ATOM 643 C HIS A 41 -16.927 10.521 -1.409 1.00 0.00 C ATOM 644 O HIS A 41 -16.699 11.728 -1.345 1.00 0.00 O ATOM 645 CB HIS A 41 -19.088 10.503 -2.633 1.00 0.00 C ATOM 646 CG HIS A 41 -19.885 10.118 -3.851 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.747 10.768 -5.058 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.837 9.158 -4.052 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.568 10.237 -5.941 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.237 9.262 -5.357 1.00 0.00 N ATOM 0 H HIS A 41 -18.576 8.070 -2.315 1.00 0.00 H new ATOM 0 HA HIS A 41 -17.136 10.227 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.618 10.162 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -19.037 11.590 -2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -21.203 8.452 -3.321 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.675 10.548 -6.970 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.942 8.677 -5.807 1.00 0.00 H new ATOM 659 N ASP A 42 -16.550 9.675 -0.463 1.00 0.00 N ATOM 660 CA ASP A 42 -15.943 10.161 0.765 1.00 0.00 C ATOM 661 C ASP A 42 -14.535 9.613 0.981 1.00 0.00 C ATOM 662 O ASP A 42 -14.016 9.660 2.093 1.00 0.00 O ATOM 663 CB ASP A 42 -16.824 9.823 1.971 1.00 0.00 C ATOM 664 CG ASP A 42 -18.024 10.740 2.103 1.00 0.00 C ATOM 665 OD1 ASP A 42 -17.831 11.928 2.437 1.00 0.00 O ATOM 666 OD2 ASP A 42 -19.168 10.276 1.903 1.00 0.00 O ATOM 0 H ASP A 42 -16.652 8.662 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.860 11.243 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.169 8.793 1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.225 9.884 2.880 1.00 0.00 H new ATOM 671 N TYR A 43 -13.895 9.132 -0.079 1.00 0.00 N ATOM 672 CA TYR A 43 -12.581 8.507 0.050 1.00 0.00 C ATOM 673 C TYR A 43 -11.535 9.494 0.577 1.00 0.00 C ATOM 674 O TYR A 43 -10.643 9.118 1.336 1.00 0.00 O ATOM 675 CB TYR A 43 -12.144 7.920 -1.299 1.00 0.00 C ATOM 676 CG TYR A 43 -10.781 7.260 -1.287 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.633 5.953 -0.850 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.647 7.936 -1.726 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.400 5.332 -0.847 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.406 7.323 -1.725 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.289 6.021 -1.285 1.00 0.00 C ATOM 682 OH TYR A 43 -7.060 5.400 -1.290 1.00 0.00 O ATOM 0 H TYR A 43 -14.260 9.162 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.661 7.700 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.885 7.188 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.141 8.716 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.500 5.409 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.736 8.955 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.306 4.312 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.534 7.861 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.381 6.021 -1.628 1.00 0.00 H new ATOM 692 N HIS A 44 -11.663 10.760 0.205 1.00 0.00 N ATOM 693 CA HIS A 44 -10.656 11.757 0.557 1.00 0.00 C ATOM 694 C HIS A 44 -10.875 12.359 1.948 1.00 0.00 C ATOM 695 O HIS A 44 -10.065 13.162 2.409 1.00 0.00 O ATOM 696 CB HIS A 44 -10.589 12.860 -0.501 1.00 0.00 C ATOM 697 CG HIS A 44 -9.891 12.433 -1.757 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.522 12.483 -1.908 1.00 0.00 N ATOM 699 CD2 HIS A 44 -10.375 11.940 -2.922 1.00 0.00 C ATOM 700 CE1 HIS A 44 -8.196 12.044 -3.109 1.00 0.00 C ATOM 701 NE2 HIS A 44 -9.300 11.707 -3.743 1.00 0.00 N ATOM 0 H HIS A 44 -12.448 11.122 -0.337 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.700 11.234 0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.601 13.180 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.074 13.725 -0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.413 11.763 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.194 11.973 -3.505 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.348 11.333 -4.691 1.00 0.00 H new ATOM 710 N ASP A 45 -11.956 11.980 2.618 1.00 0.00 N ATOM 711 CA ASP A 45 -12.162 12.396 4.013 1.00 0.00 C ATOM 712 C ASP A 45 -11.537 11.383 4.946 1.00 0.00 C ATOM 713 O ASP A 45 -10.813 11.725 5.883 1.00 0.00 O ATOM 714 CB ASP A 45 -13.650 12.528 4.365 1.00 0.00 C ATOM 715 CG ASP A 45 -13.886 12.706 5.855 1.00 0.00 C ATOM 716 OD1 ASP A 45 -13.815 13.857 6.336 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.156 11.705 6.550 1.00 0.00 O ATOM 0 H ASP A 45 -12.697 11.395 2.232 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.693 13.373 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.072 13.379 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.181 11.640 4.021 1.00 0.00 H new ATOM 722 N ILE A 46 -11.827 10.132 4.662 1.00 0.00 N ATOM 723 CA ILE A 46 -11.437 9.041 5.518 1.00 0.00 C ATOM 724 C ILE A 46 -9.954 8.736 5.382 1.00 0.00 C ATOM 725 O ILE A 46 -9.260 8.531 6.377 1.00 0.00 O ATOM 726 CB ILE A 46 -12.294 7.794 5.216 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.708 7.996 5.755 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.680 6.529 5.801 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.608 8.842 4.882 1.00 0.00 C ATOM 0 H ILE A 46 -12.341 9.846 3.829 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.613 9.337 6.552 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.332 7.667 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.172 7.019 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.643 8.458 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.314 5.674 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.689 6.374 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.596 6.632 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.590 8.928 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.173 9.835 4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.711 8.373 3.903 1.00 0.00 H new ATOM 741 N ILE A 47 -9.463 8.731 4.162 1.00 0.00 N ATOM 742 CA ILE A 47 -8.060 8.465 3.934 1.00 0.00 C ATOM 743 C ILE A 47 -7.263 9.763 4.027 1.00 0.00 C ATOM 744 O ILE A 47 -7.216 10.552 3.078 1.00 0.00 O ATOM 745 CB ILE A 47 -7.829 7.802 2.568 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.779 6.616 2.379 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.382 7.353 2.449 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.382 5.383 3.150 1.00 0.00 C ATOM 0 H ILE A 47 -10.009 8.907 3.319 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.719 7.773 4.704 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.036 8.530 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.782 6.915 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.828 6.369 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.225 6.884 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.724 8.217 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.157 6.636 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.105 4.589 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.393 5.056 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.361 5.611 4.216 1.00 0.00 H new ATOM 760 N LYS A 48 -6.656 9.984 5.185 1.00 0.00 N ATOM 761 CA LYS A 48 -5.916 11.208 5.444 1.00 0.00 C ATOM 762 C LYS A 48 -4.489 11.122 4.925 1.00 0.00 C ATOM 763 O LYS A 48 -3.846 12.140 4.679 1.00 0.00 O ATOM 764 CB LYS A 48 -5.909 11.512 6.937 1.00 0.00 C ATOM 765 CG LYS A 48 -7.197 12.159 7.414 1.00 0.00 C ATOM 766 CD LYS A 48 -7.351 13.555 6.832 1.00 0.00 C ATOM 767 CE LYS A 48 -8.753 14.082 7.012 1.00 0.00 C ATOM 768 NZ LYS A 48 -8.870 15.494 6.567 1.00 0.00 N ATOM 0 H LYS A 48 -6.663 9.326 5.964 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.417 12.016 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.746 10.587 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.071 12.171 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.048 11.543 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.200 12.212 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.644 14.230 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.102 13.537 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.450 13.463 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.038 14.006 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.847 15.822 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.223 16.088 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.622 15.562 5.559 1.00 0.00 H new ATOM 782 N HIS A 49 -3.994 9.908 4.765 1.00 0.00 N ATOM 783 CA HIS A 49 -2.641 9.701 4.256 1.00 0.00 C ATOM 784 C HIS A 49 -2.635 8.783 3.031 1.00 0.00 C ATOM 785 O HIS A 49 -1.972 7.749 3.048 1.00 0.00 O ATOM 786 CB HIS A 49 -1.749 9.096 5.346 1.00 0.00 C ATOM 787 CG HIS A 49 -1.564 9.978 6.542 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.545 10.898 6.650 1.00 0.00 N ATOM 789 CD2 HIS A 49 -2.280 10.079 7.687 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.643 11.525 7.809 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.686 11.048 8.456 1.00 0.00 N ATOM 0 H HIS A 49 -4.503 9.050 4.978 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.252 10.675 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.180 8.149 5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.772 8.872 4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.156 9.504 7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.021 12.299 8.166 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.001 11.350 9.378 1.00 0.00 H new ATOM 800 N PRO A 50 -3.351 9.145 1.943 1.00 0.00 N ATOM 801 CA PRO A 50 -3.461 8.285 0.759 1.00 0.00 C ATOM 802 C PRO A 50 -2.120 8.088 0.061 1.00 0.00 C ATOM 803 O PRO A 50 -1.540 9.031 -0.484 1.00 0.00 O ATOM 804 CB PRO A 50 -4.444 9.027 -0.151 1.00 0.00 C ATOM 805 CG PRO A 50 -4.386 10.444 0.292 1.00 0.00 C ATOM 806 CD PRO A 50 -4.087 10.411 1.769 1.00 0.00 C ATOM 0 HA PRO A 50 -3.794 7.281 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.161 8.930 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.452 8.624 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.613 10.990 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.331 10.952 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.489 11.269 2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.000 10.429 2.364 1.00 0.00 H new ATOM 814 N MET A 51 -1.620 6.863 0.110 1.00 0.00 N ATOM 815 CA MET A 51 -0.356 6.522 -0.510 1.00 0.00 C ATOM 816 C MET A 51 -0.492 5.215 -1.278 1.00 0.00 C ATOM 817 O MET A 51 -1.294 4.362 -0.911 1.00 0.00 O ATOM 818 CB MET A 51 0.746 6.420 0.554 1.00 0.00 C ATOM 819 CG MET A 51 2.074 5.894 0.022 1.00 0.00 C ATOM 820 SD MET A 51 2.655 6.817 -1.418 1.00 0.00 S ATOM 821 CE MET A 51 2.671 8.480 -0.768 1.00 0.00 C ATOM 0 H MET A 51 -2.079 6.083 0.579 1.00 0.00 H new ATOM 0 HA MET A 51 -0.078 7.308 -1.212 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.906 7.405 0.992 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.403 5.766 1.356 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.824 5.947 0.811 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.965 4.843 -0.244 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.307 9.108 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.657 8.879 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.059 8.469 0.251 1.00 0.00 H new ATOM 831 N ASP A 52 0.294 5.069 -2.335 1.00 0.00 N ATOM 832 CA ASP A 52 0.247 3.879 -3.178 1.00 0.00 C ATOM 833 C ASP A 52 1.669 3.435 -3.477 1.00 0.00 C ATOM 834 O ASP A 52 2.572 4.270 -3.498 1.00 0.00 O ATOM 835 CB ASP A 52 -0.496 4.175 -4.491 1.00 0.00 C ATOM 836 CG ASP A 52 -1.717 5.046 -4.278 1.00 0.00 C ATOM 837 OD1 ASP A 52 -1.645 6.253 -4.606 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.738 4.545 -3.767 1.00 0.00 O ATOM 0 H ASP A 52 0.978 5.765 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.289 3.087 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.183 4.669 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.799 3.236 -4.954 1.00 0.00 H new ATOM 843 N LEU A 53 1.884 2.146 -3.701 1.00 0.00 N ATOM 844 CA LEU A 53 3.232 1.639 -3.960 1.00 0.00 C ATOM 845 C LEU A 53 3.873 2.337 -5.160 1.00 0.00 C ATOM 846 O LEU A 53 5.080 2.594 -5.166 1.00 0.00 O ATOM 847 CB LEU A 53 3.208 0.127 -4.157 1.00 0.00 C ATOM 848 CG LEU A 53 3.097 -0.682 -2.866 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.776 -2.123 -3.181 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.380 -0.596 -2.064 1.00 0.00 C ATOM 0 H LEU A 53 1.153 1.435 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 53 3.845 1.862 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.368 -0.128 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.116 -0.172 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 53 2.290 -0.261 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.699 -2.690 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.829 -2.176 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.568 -2.545 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.277 -1.180 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.206 -0.991 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.581 0.445 -1.810 1.00 0.00 H new ATOM 862 N SER A 54 3.061 2.663 -6.156 1.00 0.00 N ATOM 863 CA SER A 54 3.533 3.416 -7.316 1.00 0.00 C ATOM 864 C SER A 54 4.088 4.779 -6.888 1.00 0.00 C ATOM 865 O SER A 54 5.156 5.198 -7.336 1.00 0.00 O ATOM 866 CB SER A 54 2.387 3.606 -8.321 1.00 0.00 C ATOM 867 OG SER A 54 1.239 4.152 -7.687 1.00 0.00 O ATOM 0 H SER A 54 2.071 2.419 -6.187 1.00 0.00 H new ATOM 0 HA SER A 54 4.335 2.851 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.710 4.266 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.135 2.648 -8.776 1.00 0.00 H new ATOM 0 HG SER A 54 0.687 3.426 -7.329 1.00 0.00 H new ATOM 873 N THR A 55 3.362 5.449 -6.000 1.00 0.00 N ATOM 874 CA THR A 55 3.743 6.763 -5.514 1.00 0.00 C ATOM 875 C THR A 55 4.953 6.670 -4.592 1.00 0.00 C ATOM 876 O THR A 55 5.812 7.551 -4.595 1.00 0.00 O ATOM 877 CB THR A 55 2.581 7.431 -4.763 1.00 0.00 C ATOM 878 OG1 THR A 55 1.338 7.111 -5.407 1.00 0.00 O ATOM 879 CG2 THR A 55 2.769 8.936 -4.743 1.00 0.00 C ATOM 0 H THR A 55 2.494 5.094 -5.599 1.00 0.00 H new ATOM 0 HA THR A 55 4.000 7.370 -6.382 1.00 0.00 H new ATOM 0 HB THR A 55 2.565 7.060 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.600 7.538 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.940 9.399 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.705 9.179 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.797 9.313 -5.765 1.00 0.00 H new ATOM 887 N VAL A 56 5.019 5.595 -3.811 1.00 0.00 N ATOM 888 CA VAL A 56 6.166 5.354 -2.946 1.00 0.00 C ATOM 889 C VAL A 56 7.417 5.241 -3.794 1.00 0.00 C ATOM 890 O VAL A 56 8.443 5.858 -3.513 1.00 0.00 O ATOM 891 CB VAL A 56 6.012 4.061 -2.115 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.260 3.806 -1.287 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.797 4.142 -1.214 1.00 0.00 C ATOM 0 H VAL A 56 4.293 4.880 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 56 6.235 6.193 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 56 5.875 3.230 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.132 2.891 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.120 3.700 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.424 4.644 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.709 3.221 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.905 4.986 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.902 4.278 -1.821 1.00 0.00 H new ATOM 903 N LYS A 57 7.304 4.461 -4.857 1.00 0.00 N ATOM 904 CA LYS A 57 8.399 4.250 -5.774 1.00 0.00 C ATOM 905 C LYS A 57 8.741 5.547 -6.480 1.00 0.00 C ATOM 906 O LYS A 57 9.904 5.870 -6.681 1.00 0.00 O ATOM 907 CB LYS A 57 8.004 3.190 -6.788 1.00 0.00 C ATOM 908 CG LYS A 57 9.101 2.187 -7.071 1.00 0.00 C ATOM 909 CD LYS A 57 8.565 0.993 -7.829 1.00 0.00 C ATOM 910 CE LYS A 57 9.680 0.041 -8.208 1.00 0.00 C ATOM 911 NZ LYS A 57 9.242 -0.964 -9.211 1.00 0.00 N ATOM 0 H LYS A 57 6.450 3.960 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 57 9.277 3.913 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.124 2.661 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.720 3.678 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.893 2.663 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.546 1.856 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.829 0.471 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.050 1.331 -8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.520 0.609 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.038 -0.471 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.338 -1.919 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.248 -0.793 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.833 -0.885 -10.063 1.00 0.00 H new ATOM 925 N ARG A 58 7.704 6.285 -6.847 1.00 0.00 N ATOM 926 CA ARG A 58 7.861 7.587 -7.475 1.00 0.00 C ATOM 927 C ARG A 58 8.698 8.518 -6.601 1.00 0.00 C ATOM 928 O ARG A 58 9.706 9.072 -7.045 1.00 0.00 O ATOM 929 CB ARG A 58 6.489 8.208 -7.720 1.00 0.00 C ATOM 930 CG ARG A 58 6.556 9.531 -8.461 1.00 0.00 C ATOM 931 CD ARG A 58 5.196 10.188 -8.580 1.00 0.00 C ATOM 932 NE ARG A 58 5.279 11.470 -9.274 1.00 0.00 N ATOM 933 CZ ARG A 58 4.240 12.267 -9.505 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.023 11.919 -9.102 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.422 13.418 -10.137 1.00 0.00 N ATOM 0 H ARG A 58 6.733 5.999 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 58 8.378 7.450 -8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.878 7.509 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.990 8.360 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.238 10.203 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.967 9.368 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.517 9.526 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.775 10.338 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 58 6.195 11.774 -9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.881 11.036 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.230 12.535 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.356 13.689 -10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.628 14.032 -10.316 1.00 0.00 H new ATOM 949 N LYS A 59 8.285 8.669 -5.352 1.00 0.00 N ATOM 950 CA LYS A 59 8.968 9.556 -4.424 1.00 0.00 C ATOM 951 C LYS A 59 10.335 8.985 -4.035 1.00 0.00 C ATOM 952 O LYS A 59 11.267 9.733 -3.733 1.00 0.00 O ATOM 953 CB LYS A 59 8.092 9.800 -3.191 1.00 0.00 C ATOM 954 CG LYS A 59 6.790 10.523 -3.509 1.00 0.00 C ATOM 955 CD LYS A 59 5.760 10.405 -2.386 1.00 0.00 C ATOM 956 CE LYS A 59 6.278 10.931 -1.053 1.00 0.00 C ATOM 957 NZ LYS A 59 6.784 9.840 -0.177 1.00 0.00 N ATOM 0 H LYS A 59 7.478 8.187 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 59 9.141 10.514 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.863 8.843 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.656 10.384 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.000 11.576 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.368 10.116 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.861 10.955 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.472 9.360 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.077 11.650 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.479 11.466 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.532 10.211 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.004 9.471 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.171 9.074 -0.765 1.00 0.00 H new ATOM 971 N MET A 60 10.454 7.658 -4.052 1.00 0.00 N ATOM 972 CA MET A 60 11.748 7.003 -3.859 1.00 0.00 C ATOM 973 C MET A 60 12.683 7.334 -5.019 1.00 0.00 C ATOM 974 O MET A 60 13.872 7.573 -4.818 1.00 0.00 O ATOM 975 CB MET A 60 11.607 5.480 -3.754 1.00 0.00 C ATOM 976 CG MET A 60 12.939 4.765 -3.568 1.00 0.00 C ATOM 977 SD MET A 60 12.864 3.031 -4.044 1.00 0.00 S ATOM 978 CE MET A 60 11.541 2.478 -2.983 1.00 0.00 C ATOM 0 H MET A 60 9.674 7.017 -4.197 1.00 0.00 H new ATOM 0 HA MET A 60 12.162 7.377 -2.922 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.953 5.239 -2.916 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.123 5.104 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.703 5.268 -4.160 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.245 4.839 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.709 1.438 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.513 3.095 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.591 2.562 -3.511 1.00 0.00 H new ATOM 988 N GLU A 61 12.140 7.352 -6.235 1.00 0.00 N ATOM 989 CA GLU A 61 12.938 7.651 -7.422 1.00 0.00 C ATOM 990 C GLU A 61 13.425 9.092 -7.406 1.00 0.00 C ATOM 991 O GLU A 61 14.483 9.407 -7.947 1.00 0.00 O ATOM 992 CB GLU A 61 12.144 7.385 -8.699 1.00 0.00 C ATOM 993 CG GLU A 61 11.953 5.907 -8.996 1.00 0.00 C ATOM 994 CD GLU A 61 11.492 5.645 -10.412 1.00 0.00 C ATOM 995 OE1 GLU A 61 12.161 4.867 -11.125 1.00 0.00 O ATOM 996 OE2 GLU A 61 10.469 6.224 -10.831 1.00 0.00 O ATOM 0 H GLU A 61 11.155 7.164 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 61 13.805 6.990 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.167 7.860 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.655 7.854 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.893 5.383 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.224 5.493 -8.300 1.00 0.00 H new ATOM 1003 N ASN A 62 12.653 9.962 -6.770 1.00 0.00 N ATOM 1004 CA ASN A 62 13.048 11.358 -6.605 1.00 0.00 C ATOM 1005 C ASN A 62 13.993 11.485 -5.422 1.00 0.00 C ATOM 1006 O ASN A 62 14.520 12.560 -5.129 1.00 0.00 O ATOM 1007 CB ASN A 62 11.829 12.267 -6.399 1.00 0.00 C ATOM 1008 CG ASN A 62 11.036 12.525 -7.672 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.457 13.597 -7.840 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.993 11.556 -8.571 1.00 0.00 N ATOM 0 H ASN A 62 11.749 9.728 -6.359 1.00 0.00 H new ATOM 0 HA ASN A 62 13.553 11.677 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.171 11.815 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.163 13.221 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.468 11.686 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.485 10.679 -8.400 1.00 0.00 H new ATOM 1017 N ARG A 63 14.201 10.350 -4.757 1.00 0.00 N ATOM 1018 CA ARG A 63 15.121 10.226 -3.636 1.00 0.00 C ATOM 1019 C ARG A 63 14.755 11.168 -2.499 1.00 0.00 C ATOM 1020 O ARG A 63 15.624 11.695 -1.808 1.00 0.00 O ATOM 1021 CB ARG A 63 16.553 10.465 -4.107 1.00 0.00 C ATOM 1022 CG ARG A 63 16.930 9.619 -5.308 1.00 0.00 C ATOM 1023 CD ARG A 63 17.063 8.143 -4.959 1.00 0.00 C ATOM 1024 NE ARG A 63 16.829 7.294 -6.127 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.773 6.932 -6.994 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.027 7.341 -6.833 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.464 6.151 -8.020 1.00 0.00 N ATOM 0 H ARG A 63 13.725 9.478 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 63 15.044 9.211 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.676 11.518 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.240 10.250 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.175 9.739 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.873 9.978 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.059 7.950 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.351 7.888 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 63 15.880 6.957 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.272 7.936 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.745 7.060 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.504 5.828 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.186 5.873 -8.685 1.00 0.00 H new ATOM 1041 N ASP A 64 13.457 11.367 -2.312 1.00 0.00 N ATOM 1042 CA ASP A 64 12.956 12.136 -1.173 1.00 0.00 C ATOM 1043 C ASP A 64 13.139 11.339 0.110 1.00 0.00 C ATOM 1044 O ASP A 64 13.085 11.879 1.216 1.00 0.00 O ATOM 1045 CB ASP A 64 11.475 12.484 -1.355 1.00 0.00 C ATOM 1046 CG ASP A 64 11.253 13.660 -2.285 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.887 14.750 -1.795 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.431 13.500 -3.510 1.00 0.00 O ATOM 0 H ASP A 64 12.730 11.009 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 64 13.524 13.064 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.948 11.614 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.038 12.710 -0.382 1.00 0.00 H new ATOM 1053 N TYR A 65 13.357 10.046 -0.059 1.00 0.00 N ATOM 1054 CA TYR A 65 13.553 9.139 1.059 1.00 0.00 C ATOM 1055 C TYR A 65 15.023 9.120 1.434 1.00 0.00 C ATOM 1056 O TYR A 65 15.889 9.215 0.565 1.00 0.00 O ATOM 1057 CB TYR A 65 13.110 7.714 0.694 1.00 0.00 C ATOM 1058 CG TYR A 65 11.647 7.566 0.321 1.00 0.00 C ATOM 1059 CD1 TYR A 65 10.963 6.384 0.576 1.00 0.00 C ATOM 1060 CD2 TYR A 65 10.954 8.595 -0.292 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.632 6.242 0.229 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.634 8.460 -0.636 1.00 0.00 C ATOM 1063 CZ TYR A 65 8.974 7.289 -0.377 1.00 0.00 C ATOM 1064 OH TYR A 65 7.650 7.170 -0.728 1.00 0.00 O ATOM 0 H TYR A 65 13.403 9.596 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 65 12.951 9.488 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.718 7.365 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.321 7.058 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.479 5.563 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.464 9.523 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.112 5.317 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.114 9.278 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 65 7.087 7.329 0.059 1.00 0.00 H new ATOM 1074 N ARG A 66 15.302 9.022 2.717 1.00 0.00 N ATOM 1075 CA ARG A 66 16.672 8.930 3.187 1.00 0.00 C ATOM 1076 C ARG A 66 16.953 7.540 3.738 1.00 0.00 C ATOM 1077 O ARG A 66 18.093 7.074 3.714 1.00 0.00 O ATOM 1078 CB ARG A 66 16.924 9.984 4.266 1.00 0.00 C ATOM 1079 CG ARG A 66 16.810 11.419 3.770 1.00 0.00 C ATOM 1080 CD ARG A 66 17.993 11.830 2.903 1.00 0.00 C ATOM 1081 NE ARG A 66 17.722 13.072 2.184 1.00 0.00 N ATOM 1082 CZ ARG A 66 18.620 13.724 1.446 1.00 0.00 C ATOM 1083 NH1 ARG A 66 19.858 13.261 1.325 1.00 0.00 N ATOM 1084 NH2 ARG A 66 18.274 14.841 0.824 1.00 0.00 N ATOM 0 H ARG A 66 14.599 9.004 3.455 1.00 0.00 H new ATOM 0 HA ARG A 66 17.343 9.112 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.213 9.834 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.920 9.832 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.888 11.531 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.739 12.091 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.877 11.955 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.216 11.036 2.190 1.00 0.00 H new ATOM 0 HE ARG A 66 16.784 13.466 2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.129 12.399 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.539 13.767 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.323 15.199 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.959 15.343 0.258 1.00 0.00 H new ATOM 1098 N ASP A 67 15.910 6.867 4.218 1.00 0.00 N ATOM 1099 CA ASP A 67 16.068 5.560 4.829 1.00 0.00 C ATOM 1100 C ASP A 67 14.893 4.677 4.465 1.00 0.00 C ATOM 1101 O ASP A 67 13.837 5.163 4.049 1.00 0.00 O ATOM 1102 CB ASP A 67 16.171 5.677 6.355 1.00 0.00 C ATOM 1103 CG ASP A 67 17.452 6.338 6.808 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.431 5.617 7.078 1.00 0.00 O ATOM 1105 OD2 ASP A 67 17.485 7.584 6.895 1.00 0.00 O ATOM 0 H ASP A 67 14.949 7.209 4.193 1.00 0.00 H new ATOM 0 HA ASP A 67 16.990 5.116 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.321 6.248 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.105 4.682 6.796 1.00 0.00 H new ATOM 1110 N ALA A 68 15.074 3.380 4.644 1.00 0.00 N ATOM 1111 CA ALA A 68 14.041 2.412 4.321 1.00 0.00 C ATOM 1112 C ALA A 68 12.902 2.511 5.316 1.00 0.00 C ATOM 1113 O ALA A 68 11.814 1.995 5.081 1.00 0.00 O ATOM 1114 CB ALA A 68 14.608 1.009 4.318 1.00 0.00 C ATOM 0 H ALA A 68 15.932 2.971 5.014 1.00 0.00 H new ATOM 0 HA ALA A 68 13.661 2.634 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.819 0.298 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.402 0.939 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.012 0.778 5.303 1.00 0.00 H new ATOM 1120 N GLN A 69 13.169 3.173 6.431 1.00 0.00 N ATOM 1121 CA GLN A 69 12.152 3.408 7.432 1.00 0.00 C ATOM 1122 C GLN A 69 11.154 4.428 6.911 1.00 0.00 C ATOM 1123 O GLN A 69 9.961 4.327 7.167 1.00 0.00 O ATOM 1124 CB GLN A 69 12.761 3.901 8.742 1.00 0.00 C ATOM 1125 CG GLN A 69 11.717 4.166 9.808 1.00 0.00 C ATOM 1126 CD GLN A 69 11.146 2.903 10.426 1.00 0.00 C ATOM 1127 OE1 GLN A 69 11.083 1.852 9.793 1.00 0.00 O ATOM 1128 NE2 GLN A 69 10.709 3.008 11.668 1.00 0.00 N ATOM 0 H GLN A 69 14.086 3.556 6.662 1.00 0.00 H new ATOM 0 HA GLN A 69 11.646 2.463 7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.470 3.160 9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.324 4.815 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.160 4.777 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.904 4.747 9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.779 3.899 12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.301 2.198 12.135 1.00 0.00 H new ATOM 1137 N GLU A 70 11.655 5.406 6.165 1.00 0.00 N ATOM 1138 CA GLU A 70 10.799 6.385 5.517 1.00 0.00 C ATOM 1139 C GLU A 70 9.966 5.709 4.439 1.00 0.00 C ATOM 1140 O GLU A 70 8.822 6.089 4.186 1.00 0.00 O ATOM 1141 CB GLU A 70 11.628 7.521 4.929 1.00 0.00 C ATOM 1142 CG GLU A 70 12.177 8.463 5.978 1.00 0.00 C ATOM 1143 CD GLU A 70 12.912 9.625 5.364 1.00 0.00 C ATOM 1144 OE1 GLU A 70 14.112 9.478 5.092 1.00 0.00 O ATOM 1145 OE2 GLU A 70 12.288 10.684 5.137 1.00 0.00 O ATOM 0 H GLU A 70 12.652 5.540 5.995 1.00 0.00 H new ATOM 0 HA GLU A 70 10.127 6.813 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.456 7.100 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.013 8.086 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.359 8.836 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.850 7.917 6.639 1.00 0.00 H new ATOM 1152 N PHE A 71 10.551 4.700 3.813 1.00 0.00 N ATOM 1153 CA PHE A 71 9.812 3.849 2.898 1.00 0.00 C ATOM 1154 C PHE A 71 8.746 3.074 3.660 1.00 0.00 C ATOM 1155 O PHE A 71 7.567 3.126 3.309 1.00 0.00 O ATOM 1156 CB PHE A 71 10.755 2.885 2.170 1.00 0.00 C ATOM 1157 CG PHE A 71 10.063 1.661 1.631 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.427 1.699 0.408 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.051 0.476 2.351 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.789 0.582 -0.093 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.412 -0.643 1.858 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.781 -0.591 0.633 1.00 0.00 C ATOM 0 H PHE A 71 11.534 4.452 3.923 1.00 0.00 H new ATOM 0 HA PHE A 71 9.329 4.478 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.237 3.413 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.544 2.575 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.428 2.614 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.548 0.428 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.296 0.626 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.406 -1.559 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.282 -1.466 0.243 1.00 0.00 H new ATOM 1172 N ALA A 72 9.173 2.365 4.706 1.00 0.00 N ATOM 1173 CA ALA A 72 8.271 1.593 5.547 1.00 0.00 C ATOM 1174 C ALA A 72 7.147 2.473 6.069 1.00 0.00 C ATOM 1175 O ALA A 72 5.996 2.048 6.138 1.00 0.00 O ATOM 1176 CB ALA A 72 9.040 0.956 6.698 1.00 0.00 C ATOM 0 H ALA A 72 10.151 2.313 4.989 1.00 0.00 H new ATOM 0 HA ALA A 72 7.828 0.797 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.354 0.381 7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.809 0.295 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.508 1.736 7.299 1.00 0.00 H new ATOM 1182 N ALA A 73 7.500 3.704 6.409 1.00 0.00 N ATOM 1183 CA ALA A 73 6.542 4.699 6.851 1.00 0.00 C ATOM 1184 C ALA A 73 5.426 4.866 5.825 1.00 0.00 C ATOM 1185 O ALA A 73 4.241 4.776 6.154 1.00 0.00 O ATOM 1186 CB ALA A 73 7.255 6.024 7.082 1.00 0.00 C ATOM 0 H ALA A 73 8.463 4.039 6.385 1.00 0.00 H new ATOM 0 HA ALA A 73 6.092 4.366 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.535 6.772 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.023 5.896 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.719 6.355 6.153 1.00 0.00 H new ATOM 1192 N ASP A 74 5.819 5.057 4.576 1.00 0.00 N ATOM 1193 CA ASP A 74 4.881 5.348 3.503 1.00 0.00 C ATOM 1194 C ASP A 74 4.080 4.111 3.089 1.00 0.00 C ATOM 1195 O ASP A 74 2.853 4.168 2.973 1.00 0.00 O ATOM 1196 CB ASP A 74 5.643 5.907 2.301 1.00 0.00 C ATOM 1197 CG ASP A 74 5.415 7.392 2.097 1.00 0.00 C ATOM 1198 OD1 ASP A 74 5.214 8.117 3.096 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.465 7.851 0.938 1.00 0.00 O ATOM 0 H ASP A 74 6.794 5.015 4.278 1.00 0.00 H new ATOM 0 HA ASP A 74 4.168 6.087 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.709 5.723 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.338 5.371 1.402 1.00 0.00 H new ATOM 1204 N VAL A 75 4.768 2.991 2.875 1.00 0.00 N ATOM 1205 CA VAL A 75 4.110 1.774 2.397 1.00 0.00 C ATOM 1206 C VAL A 75 3.133 1.214 3.431 1.00 0.00 C ATOM 1207 O VAL A 75 2.015 0.821 3.088 1.00 0.00 O ATOM 1208 CB VAL A 75 5.128 0.677 1.984 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.155 0.437 3.072 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.424 -0.630 1.634 1.00 0.00 C ATOM 0 H VAL A 75 5.773 2.900 3.023 1.00 0.00 H new ATOM 0 HA VAL A 75 3.548 2.065 1.509 1.00 0.00 H new ATOM 0 HB VAL A 75 5.645 1.040 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.852 -0.337 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.702 1.360 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.651 0.115 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.165 -1.377 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.865 -0.985 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.739 -0.463 0.803 1.00 0.00 H new ATOM 1220 N ARG A 76 3.528 1.199 4.698 1.00 0.00 N ATOM 1221 CA ARG A 76 2.669 0.611 5.720 1.00 0.00 C ATOM 1222 C ARG A 76 1.532 1.567 6.069 1.00 0.00 C ATOM 1223 O ARG A 76 0.485 1.140 6.551 1.00 0.00 O ATOM 1224 CB ARG A 76 3.455 0.197 6.973 1.00 0.00 C ATOM 1225 CG ARG A 76 3.708 1.323 7.951 1.00 0.00 C ATOM 1226 CD ARG A 76 4.524 0.861 9.155 1.00 0.00 C ATOM 1227 NE ARG A 76 4.702 1.926 10.135 1.00 0.00 N ATOM 1228 CZ ARG A 76 5.521 1.843 11.182 1.00 0.00 C ATOM 1229 NH1 ARG A 76 6.248 0.746 11.379 1.00 0.00 N ATOM 1230 NH2 ARG A 76 5.616 2.857 12.031 1.00 0.00 N ATOM 0 H ARG A 76 4.413 1.576 5.037 1.00 0.00 H new ATOM 0 HA ARG A 76 2.242 -0.303 5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.909 -0.596 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.413 -0.222 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.235 2.132 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.755 1.728 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.026 0.014 9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.500 0.511 8.819 1.00 0.00 H new ATOM 0 HE ARG A 76 4.167 2.786 10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.179 -0.035 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.874 0.686 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.062 3.700 11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.243 2.794 12.833 1.00 0.00 H new ATOM 1244 N LEU A 77 1.730 2.863 5.814 1.00 0.00 N ATOM 1245 CA LEU A 77 0.651 3.830 5.929 1.00 0.00 C ATOM 1246 C LEU A 77 -0.471 3.466 4.970 1.00 0.00 C ATOM 1247 O LEU A 77 -1.645 3.507 5.324 1.00 0.00 O ATOM 1248 CB LEU A 77 1.157 5.236 5.617 1.00 0.00 C ATOM 1249 CG LEU A 77 1.105 6.222 6.780 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.582 7.585 6.325 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.303 6.297 7.356 1.00 0.00 C ATOM 0 H LEU A 77 2.625 3.259 5.528 1.00 0.00 H new ATOM 0 HA LEU A 77 0.275 3.812 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.188 5.164 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.570 5.641 4.793 1.00 0.00 H new ATOM 0 HG LEU A 77 1.769 5.872 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.542 8.283 7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.608 7.510 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.940 7.945 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.320 7.005 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.996 6.627 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.602 5.312 7.715 1.00 0.00 H new ATOM 1263 N MET A 78 -0.088 3.093 3.757 1.00 0.00 N ATOM 1264 CA MET A 78 -1.041 2.667 2.741 1.00 0.00 C ATOM 1265 C MET A 78 -1.857 1.462 3.219 1.00 0.00 C ATOM 1266 O MET A 78 -3.086 1.463 3.119 1.00 0.00 O ATOM 1267 CB MET A 78 -0.302 2.363 1.432 1.00 0.00 C ATOM 1268 CG MET A 78 -1.134 1.614 0.405 1.00 0.00 C ATOM 1269 SD MET A 78 -0.904 -0.168 0.515 1.00 0.00 S ATOM 1270 CE MET A 78 0.798 -0.324 -0.031 1.00 0.00 C ATOM 0 H MET A 78 0.885 3.077 3.451 1.00 0.00 H new ATOM 0 HA MET A 78 -1.747 3.477 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.037 3.301 0.993 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.589 1.777 1.659 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.188 1.852 0.549 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.865 1.953 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.907 -1.230 -0.627 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.067 0.542 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.455 -0.379 0.837 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.178 0.446 3.753 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.875 -0.715 4.321 1.00 0.00 C ATOM 1282 C PHE A 79 -2.790 -0.281 5.470 1.00 0.00 C ATOM 1283 O PHE A 79 -3.903 -0.795 5.624 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.890 -1.780 4.824 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.029 -2.396 3.753 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.591 -2.911 2.595 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.344 -2.468 3.916 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.205 -3.478 1.616 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.143 -3.036 2.944 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.578 -3.539 1.790 1.00 0.00 C ATOM 0 H PHE A 79 -0.160 0.400 3.806 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.474 -1.154 3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.243 -1.330 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.453 -2.572 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.661 -2.869 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.796 -2.075 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.244 -3.873 0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.212 -3.087 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.203 -3.978 1.026 1.00 0.00 H new ATOM 1300 N SER A 80 -2.318 0.675 6.265 1.00 0.00 N ATOM 1301 CA SER A 80 -3.102 1.219 7.367 1.00 0.00 C ATOM 1302 C SER A 80 -4.391 1.859 6.855 1.00 0.00 C ATOM 1303 O SER A 80 -5.462 1.654 7.423 1.00 0.00 O ATOM 1304 CB SER A 80 -2.272 2.245 8.145 1.00 0.00 C ATOM 1305 OG SER A 80 -1.084 1.653 8.647 1.00 0.00 O ATOM 0 H SER A 80 -1.392 1.090 6.165 1.00 0.00 H new ATOM 0 HA SER A 80 -3.372 0.400 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.020 3.084 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.861 2.646 8.970 1.00 0.00 H new ATOM 0 HG SER A 80 -0.431 1.565 7.922 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.282 2.610 5.761 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.437 3.267 5.148 1.00 0.00 C ATOM 1313 C ASN A 81 -6.474 2.241 4.718 1.00 0.00 C ATOM 1314 O ASN A 81 -7.676 2.496 4.769 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.017 4.088 3.930 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.018 5.171 4.256 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -4.060 5.781 5.322 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.102 5.408 3.337 1.00 0.00 N ATOM 0 H ASN A 81 -3.400 2.780 5.278 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.870 3.931 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.589 3.422 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.902 4.542 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.391 6.122 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.104 4.878 2.466 1.00 0.00 H new ATOM 1325 N CYS A 82 -5.997 1.080 4.295 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.878 0.007 3.857 1.00 0.00 C ATOM 1327 C CYS A 82 -7.744 -0.483 5.010 1.00 0.00 C ATOM 1328 O CYS A 82 -8.948 -0.687 4.840 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.068 -1.154 3.273 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.948 -0.673 1.936 1.00 0.00 S ATOM 0 H CYS A 82 -5.003 0.856 4.246 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.530 0.402 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.487 -1.615 4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.757 -1.913 2.901 1.00 0.00 H new ATOM 0 HG CYS A 82 -4.072 0.174 2.388 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.140 -0.657 6.187 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.901 -1.056 7.370 1.00 0.00 C ATOM 1338 C TYR A 83 -8.705 0.129 7.895 1.00 0.00 C ATOM 1339 O TYR A 83 -9.716 -0.040 8.578 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.994 -1.553 8.501 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.010 -2.647 8.128 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.398 -3.747 7.368 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.686 -2.592 8.567 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.500 -4.754 7.059 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.790 -3.593 8.257 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.199 -4.670 7.507 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.301 -5.666 7.206 1.00 0.00 O ATOM 0 H TYR A 83 -6.140 -0.530 6.345 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.558 -1.870 7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.433 -0.704 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.624 -1.918 9.312 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.416 -3.816 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.358 -1.751 9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.817 -5.602 6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.769 -3.531 8.603 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.429 -5.450 7.598 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.231 1.325 7.574 1.00 0.00 N ATOM 1358 CA LYS A 84 -8.841 2.564 8.040 1.00 0.00 C ATOM 1359 C LYS A 84 -10.156 2.824 7.321 1.00 0.00 C ATOM 1360 O LYS A 84 -11.095 3.378 7.894 1.00 0.00 O ATOM 1361 CB LYS A 84 -7.867 3.725 7.807 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.576 4.545 9.057 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.761 5.392 9.494 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.981 6.556 8.546 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.992 7.517 9.058 1.00 0.00 N ATOM 0 H LYS A 84 -7.412 1.464 6.983 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.054 2.476 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.929 3.328 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.277 4.382 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.295 3.874 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.721 5.194 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.659 4.775 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.591 5.768 10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.036 7.076 8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.302 6.176 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.158 8.258 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.882 7.015 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.644 7.952 9.936 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.210 2.430 6.063 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.400 2.625 5.254 1.00 0.00 C ATOM 1381 C TYR A 85 -12.311 1.406 5.301 1.00 0.00 C ATOM 1382 O TYR A 85 -13.468 1.488 5.720 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.007 2.904 3.807 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.191 3.211 2.917 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.761 4.467 2.958 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.747 2.262 2.054 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -13.848 4.786 2.173 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.835 2.576 1.264 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.380 3.841 1.328 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.467 4.157 0.551 1.00 0.00 O ATOM 0 H TYR A 85 -9.440 1.971 5.576 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.943 3.477 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.314 3.745 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.475 2.040 3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.347 5.215 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.320 1.271 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.280 5.775 2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.256 1.836 0.600 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.878 4.982 0.884 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.774 0.280 4.867 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.555 -0.929 4.691 1.00 0.00 C ATOM 1402 C ASN A 86 -12.692 -1.672 6.009 1.00 0.00 C ATOM 1403 O ASN A 86 -11.724 -1.805 6.759 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.885 -1.838 3.655 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.610 -1.131 2.347 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.433 -1.140 1.436 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.438 -0.526 2.242 1.00 0.00 N ATOM 0 H ASN A 86 -10.788 0.179 4.628 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.549 -0.650 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.948 -2.216 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.523 -2.702 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.189 -0.043 1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.783 -0.543 3.024 1.00 0.00 H new ATOM 1414 N PRO A 87 -13.900 -2.164 6.307 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.148 -2.950 7.511 1.00 0.00 C ATOM 1416 C PRO A 87 -13.406 -4.281 7.459 1.00 0.00 C ATOM 1417 O PRO A 87 -13.109 -4.790 6.376 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.664 -3.170 7.497 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.072 -2.991 6.077 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.112 -1.999 5.487 1.00 0.00 C ATOM 0 HA PRO A 87 -13.801 -2.452 8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -15.921 -4.166 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.171 -2.456 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.033 -3.938 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.097 -2.628 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -14.916 -2.207 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.500 -0.982 5.544 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.101 -4.850 8.645 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.251 -6.046 8.795 1.00 0.00 C ATOM 1430 C PRO A 88 -12.681 -7.228 7.934 1.00 0.00 C ATOM 1431 O PRO A 88 -11.897 -8.144 7.699 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.380 -6.411 10.280 1.00 0.00 C ATOM 1433 CG PRO A 88 -13.503 -5.585 10.808 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.555 -4.357 9.951 1.00 0.00 C ATOM 0 HA PRO A 88 -11.234 -5.828 8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.585 -7.474 10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.455 -6.200 10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.444 -6.132 10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.337 -5.324 11.853 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.562 -3.943 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.906 -3.569 10.334 1.00 0.00 H new ATOM 1442 N ASP A 89 -13.923 -7.215 7.484 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.414 -8.260 6.597 1.00 0.00 C ATOM 1444 C ASP A 89 -14.591 -7.718 5.185 1.00 0.00 C ATOM 1445 O ASP A 89 -15.702 -7.384 4.772 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.745 -8.847 7.089 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.668 -9.399 8.496 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -15.000 -10.434 8.701 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.304 -8.817 9.401 1.00 0.00 O ATOM 0 H ASP A 89 -14.609 -6.497 7.716 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.670 -9.057 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.512 -8.074 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.058 -9.641 6.411 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.489 -7.604 4.452 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.545 -7.201 3.054 1.00 0.00 C ATOM 1456 C HIS A 90 -12.304 -7.689 2.315 1.00 0.00 C ATOM 1457 O HIS A 90 -11.302 -8.028 2.938 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.658 -5.676 2.902 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.400 -5.256 1.652 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.773 -5.055 0.439 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.721 -5.036 1.418 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.671 -4.741 -0.476 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.857 -4.725 0.090 1.00 0.00 N ATOM 0 H HIS A 90 -12.548 -7.785 4.803 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.438 -7.654 2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.168 -5.267 3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.658 -5.244 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.517 -5.095 2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.466 -4.532 -1.516 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.736 -4.515 -0.382 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.370 -7.718 0.999 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.254 -8.181 0.178 1.00 0.00 C ATOM 1474 C ASP A 91 -9.989 -7.362 0.415 1.00 0.00 C ATOM 1475 O ASP A 91 -8.914 -7.918 0.641 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.633 -8.107 -1.302 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.884 -8.897 -1.615 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.768 -10.017 -2.150 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.991 -8.405 -1.302 1.00 0.00 O ATOM 0 H ASP A 91 -13.189 -7.425 0.466 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.045 -9.212 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.784 -7.065 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.807 -8.484 -1.905 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.125 -6.040 0.386 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.969 -5.146 0.430 1.00 0.00 C ATOM 1486 C VAL A 92 -8.209 -5.271 1.745 1.00 0.00 C ATOM 1487 O VAL A 92 -6.999 -5.089 1.777 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.353 -3.666 0.203 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.462 -3.042 -0.859 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.813 -3.533 -0.191 1.00 0.00 C ATOM 0 H VAL A 92 -11.024 -5.562 0.332 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.323 -5.461 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.206 -3.134 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.746 -2.000 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.422 -3.092 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.578 -3.586 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.054 -2.481 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.992 -4.084 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.442 -3.938 0.602 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.909 -5.605 2.824 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.254 -5.740 4.120 1.00 0.00 C ATOM 1502 C VAL A 93 -7.519 -7.073 4.205 1.00 0.00 C ATOM 1503 O VAL A 93 -6.437 -7.157 4.779 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.241 -5.601 5.305 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.026 -4.311 5.187 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.190 -6.781 5.390 1.00 0.00 C ATOM 0 H VAL A 93 -9.913 -5.785 2.829 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.539 -4.921 4.200 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.651 -5.582 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.716 -4.227 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.339 -3.465 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.589 -4.312 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.866 -6.644 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.769 -6.849 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.618 -7.699 5.528 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.102 -8.104 3.602 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.472 -9.414 3.555 1.00 0.00 C ATOM 1518 C ALA A 94 -6.226 -9.366 2.681 1.00 0.00 C ATOM 1519 O ALA A 94 -5.192 -9.945 3.015 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.451 -10.456 3.037 1.00 0.00 C ATOM 0 H ALA A 94 -9.010 -8.055 3.140 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.176 -9.697 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.964 -11.431 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.316 -10.503 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.776 -10.183 2.033 1.00 0.00 H new ATOM 1526 N MET A 95 -6.329 -8.650 1.567 1.00 0.00 N ATOM 1527 CA MET A 95 -5.200 -8.475 0.666 1.00 0.00 C ATOM 1528 C MET A 95 -4.128 -7.603 1.316 1.00 0.00 C ATOM 1529 O MET A 95 -2.935 -7.866 1.167 1.00 0.00 O ATOM 1530 CB MET A 95 -5.657 -7.876 -0.675 1.00 0.00 C ATOM 1531 CG MET A 95 -6.566 -8.800 -1.485 1.00 0.00 C ATOM 1532 SD MET A 95 -6.878 -8.196 -3.159 1.00 0.00 S ATOM 1533 CE MET A 95 -8.388 -7.259 -2.934 1.00 0.00 C ATOM 0 H MET A 95 -7.184 -8.182 1.268 1.00 0.00 H new ATOM 0 HA MET A 95 -4.767 -9.455 0.464 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.183 -6.940 -0.484 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.778 -7.632 -1.272 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.112 -9.789 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.516 -8.914 -0.963 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.224 -7.805 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.570 -7.112 -1.869 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.291 -6.290 -3.423 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.556 -6.590 2.070 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.622 -5.720 2.781 1.00 0.00 C ATOM 1545 C ALA A 96 -2.943 -6.482 3.907 1.00 0.00 C ATOM 1546 O ALA A 96 -1.818 -6.180 4.284 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.337 -4.500 3.340 1.00 0.00 C ATOM 0 H ALA A 96 -5.539 -6.353 2.203 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.866 -5.384 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.621 -3.867 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.788 -3.937 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.115 -4.820 4.033 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.645 -7.472 4.438 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.145 -8.273 5.545 1.00 0.00 C ATOM 1555 C ARG A 97 -2.093 -9.268 5.065 1.00 0.00 C ATOM 1556 O ARG A 97 -1.053 -9.450 5.700 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.306 -9.013 6.205 1.00 0.00 C ATOM 1558 CG ARG A 97 -3.941 -9.709 7.500 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.140 -10.440 8.075 1.00 0.00 C ATOM 1560 NE ARG A 97 -4.836 -11.103 9.339 1.00 0.00 N ATOM 1561 CZ ARG A 97 -5.767 -11.554 10.175 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.053 -11.393 9.885 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -5.418 -12.162 11.301 1.00 0.00 N ATOM 0 H ARG A 97 -4.574 -7.742 4.115 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.676 -7.610 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.110 -8.304 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.696 -9.752 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.130 -10.415 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.575 -8.978 8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.955 -9.732 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.490 -11.180 7.355 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.857 -11.227 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.326 -10.924 9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.767 -11.739 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.432 -12.286 11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.136 -12.506 11.939 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.367 -9.908 3.939 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.447 -10.887 3.377 1.00 0.00 C ATOM 1579 C LYS A 98 -0.196 -10.195 2.826 1.00 0.00 C ATOM 1580 O LYS A 98 0.930 -10.651 3.048 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.161 -11.695 2.292 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.337 -12.847 1.741 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.083 -13.581 0.639 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.273 -14.744 0.099 1.00 0.00 C ATOM 1585 NZ LYS A 98 -0.966 -15.755 1.147 1.00 0.00 N ATOM 0 H LYS A 98 -3.219 -9.768 3.396 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.123 -11.571 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.092 -12.089 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.429 -11.028 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.392 -12.468 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.096 -13.542 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.035 -13.947 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.312 -12.888 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.823 -15.221 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.341 -14.369 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.610 -16.623 0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.243 -15.378 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.830 -15.972 1.684 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.397 -9.093 2.112 1.00 0.00 N ATOM 1600 CA LEU A 99 0.711 -8.257 1.659 1.00 0.00 C ATOM 1601 C LEU A 99 1.453 -7.634 2.841 1.00 0.00 C ATOM 1602 O LEU A 99 2.646 -7.347 2.747 1.00 0.00 O ATOM 1603 CB LEU A 99 0.234 -7.148 0.720 1.00 0.00 C ATOM 1604 CG LEU A 99 0.321 -7.424 -0.793 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.880 -6.205 -1.488 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.203 -8.613 -1.119 1.00 0.00 C ATOM 0 H LEU A 99 -1.319 -8.756 1.833 1.00 0.00 H new ATOM 0 HA LEU A 99 1.392 -8.909 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.804 -6.922 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.814 -6.251 0.934 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.687 -7.651 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.944 -6.394 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.226 -5.352 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.874 -5.988 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.228 -8.762 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.213 -8.427 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.802 -9.506 -0.639 1.00 0.00 H new ATOM 1618 N GLN A 100 0.748 -7.414 3.945 1.00 0.00 N ATOM 1619 CA GLN A 100 1.389 -6.959 5.173 1.00 0.00 C ATOM 1620 C GLN A 100 2.436 -7.980 5.594 1.00 0.00 C ATOM 1621 O GLN A 100 3.579 -7.636 5.868 1.00 0.00 O ATOM 1622 CB GLN A 100 0.350 -6.781 6.288 1.00 0.00 C ATOM 1623 CG GLN A 100 0.907 -6.246 7.602 1.00 0.00 C ATOM 1624 CD GLN A 100 1.494 -4.853 7.480 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.690 -4.684 7.245 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.651 -3.844 7.637 1.00 0.00 N ATOM 0 H GLN A 100 -0.261 -7.542 4.015 1.00 0.00 H new ATOM 0 HA GLN A 100 1.866 -5.995 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.427 -6.102 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.128 -7.742 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.112 -6.234 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.676 -6.927 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.333 -4.027 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.986 -2.883 7.564 1.00 0.00 H new ATOM 1635 N ASP A 101 2.032 -9.248 5.601 1.00 0.00 N ATOM 1636 CA ASP A 101 2.910 -10.347 5.994 1.00 0.00 C ATOM 1637 C ASP A 101 4.209 -10.361 5.188 1.00 0.00 C ATOM 1638 O ASP A 101 5.296 -10.471 5.764 1.00 0.00 O ATOM 1639 CB ASP A 101 2.188 -11.688 5.839 1.00 0.00 C ATOM 1640 CG ASP A 101 3.128 -12.866 5.994 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.520 -13.457 4.964 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.496 -13.195 7.143 1.00 0.00 O ATOM 0 H ASP A 101 1.092 -9.542 5.336 1.00 0.00 H new ATOM 0 HA ASP A 101 3.170 -10.192 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.394 -11.759 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.712 -11.731 4.859 1.00 0.00 H new ATOM 1647 N VAL A 102 4.107 -10.256 3.864 1.00 0.00 N ATOM 1648 CA VAL A 102 5.301 -10.274 3.019 1.00 0.00 C ATOM 1649 C VAL A 102 6.169 -9.042 3.266 1.00 0.00 C ATOM 1650 O VAL A 102 7.339 -9.175 3.620 1.00 0.00 O ATOM 1651 CB VAL A 102 4.975 -10.415 1.506 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.856 -9.501 1.083 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.200 -10.149 0.645 1.00 0.00 C ATOM 0 H VAL A 102 3.226 -10.159 3.359 1.00 0.00 H new ATOM 0 HA VAL A 102 5.861 -11.165 3.305 1.00 0.00 H new ATOM 0 HB VAL A 102 4.654 -11.446 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.661 -9.632 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.956 -9.742 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.139 -8.466 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.936 -10.256 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.560 -9.136 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.984 -10.863 0.897 1.00 0.00 H new ATOM 1663 N PHE A 103 5.588 -7.855 3.116 1.00 0.00 N ATOM 1664 CA PHE A 103 6.322 -6.605 3.327 1.00 0.00 C ATOM 1665 C PHE A 103 6.973 -6.569 4.717 1.00 0.00 C ATOM 1666 O PHE A 103 8.116 -6.126 4.864 1.00 0.00 O ATOM 1667 CB PHE A 103 5.404 -5.388 3.118 1.00 0.00 C ATOM 1668 CG PHE A 103 5.825 -4.170 3.910 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.044 -3.557 3.654 1.00 0.00 C ATOM 1670 CD2 PHE A 103 5.020 -3.652 4.925 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.455 -2.464 4.389 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.430 -2.556 5.656 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.648 -1.963 5.391 1.00 0.00 C ATOM 0 H PHE A 103 4.612 -7.729 2.849 1.00 0.00 H new ATOM 0 HA PHE A 103 7.120 -6.559 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.387 -5.134 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.386 -5.659 3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.679 -3.941 2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.067 -4.113 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.408 -2.000 4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.797 -2.161 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.969 -1.108 5.967 1.00 0.00 H new ATOM 1683 N GLU A 104 6.268 -7.077 5.719 1.00 0.00 N ATOM 1684 CA GLU A 104 6.733 -7.038 7.080 1.00 0.00 C ATOM 1685 C GLU A 104 7.943 -7.953 7.239 1.00 0.00 C ATOM 1686 O GLU A 104 8.933 -7.588 7.868 1.00 0.00 O ATOM 1687 CB GLU A 104 5.583 -7.465 7.994 1.00 0.00 C ATOM 1688 CG GLU A 104 6.009 -7.806 9.394 1.00 0.00 C ATOM 1689 CD GLU A 104 6.386 -6.590 10.213 1.00 0.00 C ATOM 1690 OE1 GLU A 104 5.475 -5.950 10.784 1.00 0.00 O ATOM 1691 OE2 GLU A 104 7.589 -6.273 10.305 1.00 0.00 O ATOM 0 H GLU A 104 5.359 -7.525 5.601 1.00 0.00 H new ATOM 0 HA GLU A 104 7.046 -6.030 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.847 -6.662 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.086 -8.330 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.199 -8.337 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.859 -8.487 9.353 1.00 0.00 H new ATOM 1698 N PHE A 105 7.864 -9.130 6.629 1.00 0.00 N ATOM 1699 CA PHE A 105 8.952 -10.098 6.689 1.00 0.00 C ATOM 1700 C PHE A 105 10.153 -9.588 5.901 1.00 0.00 C ATOM 1701 O PHE A 105 11.301 -9.808 6.287 1.00 0.00 O ATOM 1702 CB PHE A 105 8.490 -11.448 6.132 1.00 0.00 C ATOM 1703 CG PHE A 105 9.445 -12.583 6.392 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.246 -13.431 7.470 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.532 -12.808 5.560 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.112 -14.478 7.714 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.402 -13.854 5.801 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.191 -14.690 6.878 1.00 0.00 C ATOM 0 H PHE A 105 7.057 -9.437 6.087 1.00 0.00 H new ATOM 0 HA PHE A 105 9.246 -10.231 7.730 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.522 -11.696 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.341 -11.353 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.404 -13.271 8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.700 -12.158 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.946 -15.131 8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.246 -14.017 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.869 -15.509 7.067 1.00 0.00 H new ATOM 1718 N ARG A 106 9.881 -8.900 4.796 1.00 0.00 N ATOM 1719 CA ARG A 106 10.936 -8.366 3.956 1.00 0.00 C ATOM 1720 C ARG A 106 11.717 -7.298 4.700 1.00 0.00 C ATOM 1721 O ARG A 106 12.947 -7.279 4.666 1.00 0.00 O ATOM 1722 CB ARG A 106 10.360 -7.785 2.662 1.00 0.00 C ATOM 1723 CG ARG A 106 9.644 -8.798 1.784 1.00 0.00 C ATOM 1724 CD ARG A 106 10.532 -9.978 1.431 1.00 0.00 C ATOM 1725 NE ARG A 106 9.821 -10.955 0.614 1.00 0.00 N ATOM 1726 CZ ARG A 106 9.906 -12.272 0.766 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.680 -12.793 1.712 1.00 0.00 N ATOM 1728 NH2 ARG A 106 9.217 -13.065 -0.042 1.00 0.00 N ATOM 0 H ARG A 106 8.937 -8.702 4.465 1.00 0.00 H new ATOM 0 HA ARG A 106 11.610 -9.184 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.664 -6.985 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.170 -7.333 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.753 -9.157 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.309 -8.311 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.412 -9.625 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.886 -10.455 2.345 1.00 0.00 H new ATOM 0 HE ARG A 106 9.215 -10.602 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.215 -12.181 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.740 -13.805 1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.629 -12.663 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.275 -14.078 0.066 1.00 0.00 H new ATOM 1742 N TYR A 107 11.002 -6.414 5.383 1.00 0.00 N ATOM 1743 CA TYR A 107 11.654 -5.377 6.170 1.00 0.00 C ATOM 1744 C TYR A 107 12.325 -5.994 7.396 1.00 0.00 C ATOM 1745 O TYR A 107 13.363 -5.522 7.849 1.00 0.00 O ATOM 1746 CB TYR A 107 10.666 -4.285 6.598 1.00 0.00 C ATOM 1747 CG TYR A 107 11.357 -3.051 7.140 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.659 -1.980 6.309 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.733 -2.969 8.476 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.320 -0.867 6.793 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.387 -1.855 8.966 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.682 -0.810 8.120 1.00 0.00 C ATOM 1753 OH TYR A 107 13.358 0.292 8.598 1.00 0.00 O ATOM 0 H TYR A 107 9.983 -6.394 5.408 1.00 0.00 H new ATOM 0 HA TYR A 107 12.412 -4.908 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.048 -4.005 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.996 -4.685 7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.373 -2.018 5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.510 -3.790 9.142 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.552 -0.045 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.666 -1.804 10.008 1.00 0.00 H new ATOM 0 HH TYR A 107 12.724 0.905 9.025 1.00 0.00 H new ATOM 1763 N ALA A 108 11.729 -7.061 7.922 1.00 0.00 N ATOM 1764 CA ALA A 108 12.296 -7.769 9.062 1.00 0.00 C ATOM 1765 C ALA A 108 13.629 -8.407 8.696 1.00 0.00 C ATOM 1766 O ALA A 108 14.538 -8.492 9.524 1.00 0.00 O ATOM 1767 CB ALA A 108 11.326 -8.826 9.562 1.00 0.00 C ATOM 0 H ALA A 108 10.853 -7.453 7.576 1.00 0.00 H new ATOM 0 HA ALA A 108 12.471 -7.046 9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.763 -9.347 10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.394 -8.350 9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.124 -9.541 8.764 1.00 0.00 H new ATOM 1773 N LYS A 109 13.739 -8.864 7.457 1.00 0.00 N ATOM 1774 CA LYS A 109 14.982 -9.432 6.959 1.00 0.00 C ATOM 1775 C LYS A 109 15.967 -8.319 6.632 1.00 0.00 C ATOM 1776 O LYS A 109 17.181 -8.511 6.667 1.00 0.00 O ATOM 1777 CB LYS A 109 14.722 -10.279 5.713 1.00 0.00 C ATOM 1778 CG LYS A 109 15.252 -11.697 5.818 1.00 0.00 C ATOM 1779 CD LYS A 109 14.558 -12.474 6.928 1.00 0.00 C ATOM 1780 CE LYS A 109 15.133 -13.875 7.077 1.00 0.00 C ATOM 1781 NZ LYS A 109 16.597 -13.855 7.345 1.00 0.00 N ATOM 0 H LYS A 109 12.979 -8.852 6.777 1.00 0.00 H new ATOM 0 HA LYS A 109 15.407 -10.071 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.649 -10.315 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.180 -9.792 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.107 -12.211 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.325 -11.672 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.663 -11.935 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.491 -12.539 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.623 -14.391 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.939 -14.444 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 16.897 -14.784 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.108 -13.642 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.810 -13.125 8.054 1.00 0.00 H new ATOM 1795 N MET A 110 15.424 -7.156 6.315 1.00 0.00 N ATOM 1796 CA MET A 110 16.228 -5.984 6.004 1.00 0.00 C ATOM 1797 C MET A 110 16.893 -5.436 7.264 1.00 0.00 C ATOM 1798 O MET A 110 16.218 -5.110 8.239 1.00 0.00 O ATOM 1799 CB MET A 110 15.355 -4.908 5.336 1.00 0.00 C ATOM 1800 CG MET A 110 16.032 -3.555 5.174 1.00 0.00 C ATOM 1801 SD MET A 110 15.863 -2.513 6.635 1.00 0.00 S ATOM 1802 CE MET A 110 16.716 -1.048 6.084 1.00 0.00 C ATOM 0 H MET A 110 14.418 -6.997 6.266 1.00 0.00 H new ATOM 0 HA MET A 110 17.015 -6.275 5.308 1.00 0.00 H new ATOM 0 HB2 MET A 110 15.048 -5.266 4.353 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.447 -4.777 5.925 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.090 -3.706 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.604 -3.040 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.360 -0.186 6.648 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.787 -1.169 6.244 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.523 -0.892 5.023 1.00 0.00 H new ATOM 1812 N PRO A 111 18.230 -5.365 7.276 1.00 0.00 N ATOM 1813 CA PRO A 111 18.968 -4.761 8.372 1.00 0.00 C ATOM 1814 C PRO A 111 19.205 -3.270 8.157 1.00 0.00 C ATOM 1815 O PRO A 111 19.321 -2.801 7.019 1.00 0.00 O ATOM 1816 CB PRO A 111 20.286 -5.524 8.346 1.00 0.00 C ATOM 1817 CG PRO A 111 20.489 -5.916 6.916 1.00 0.00 C ATOM 1818 CD PRO A 111 19.134 -5.894 6.241 1.00 0.00 C ATOM 0 HA PRO A 111 18.435 -4.824 9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.107 -4.903 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.245 -6.401 8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.174 -5.226 6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.934 -6.909 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.140 -5.260 5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.832 -6.891 5.919 1.00 0.00 H new ATOM 1826 N ASP A 112 19.279 -2.531 9.249 1.00 0.00 N ATOM 1827 CA ASP A 112 19.526 -1.097 9.190 1.00 0.00 C ATOM 1828 C ASP A 112 21.013 -0.823 9.355 1.00 0.00 C ATOM 1829 O ASP A 112 21.452 -0.580 10.499 1.00 0.00 O ATOM 1830 CB ASP A 112 18.738 -0.359 10.280 1.00 0.00 C ATOM 1831 CG ASP A 112 17.236 -0.376 10.055 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.701 0.619 9.516 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.580 -1.371 10.437 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.748 -0.884 8.347 1.00 0.00 O ATOM 0 H ASP A 112 19.171 -2.900 10.194 1.00 0.00 H new ATOM 0 HA ASP A 112 19.193 -0.731 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 112 18.958 -0.812 11.247 1.00 0.00 H new ATOM 0 HB3 ASP A 112 19.079 0.675 10.327 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -26.277 8.484 8.409 1.00 0.00 N ATOM 1841 CA HIS B 281 -26.301 7.538 9.547 1.00 0.00 C ATOM 1842 C HIS B 281 -25.081 6.624 9.492 1.00 0.00 C ATOM 1843 O HIS B 281 -24.155 6.768 10.289 1.00 0.00 O ATOM 1844 CB HIS B 281 -27.600 6.718 9.533 1.00 0.00 C ATOM 1845 CG HIS B 281 -27.804 5.860 10.748 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -28.642 6.213 11.784 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -27.296 4.648 11.077 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -28.640 5.260 12.696 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -27.832 4.300 12.291 1.00 0.00 N ATOM 0 HA HIS B 281 -26.267 8.103 10.479 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -28.445 7.400 9.439 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -27.604 6.081 8.648 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -26.599 4.065 10.493 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -29.204 5.265 13.617 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -27.637 3.437 12.799 1.00 0.00 H new ATOM 1860 N ASN B 282 -25.069 5.691 8.547 1.00 0.00 N ATOM 1861 CA ASN B 282 -23.932 4.792 8.388 1.00 0.00 C ATOM 1862 C ASN B 282 -23.764 4.389 6.928 1.00 0.00 C ATOM 1863 O ASN B 282 -24.177 3.303 6.513 1.00 0.00 O ATOM 1864 CB ASN B 282 -24.089 3.547 9.267 1.00 0.00 C ATOM 1865 CG ASN B 282 -22.865 2.648 9.231 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -21.737 3.112 9.048 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -23.077 1.354 9.413 1.00 0.00 N ATOM 0 H ASN B 282 -25.828 5.538 7.883 1.00 0.00 H new ATOM 0 HA ASN B 282 -23.037 5.326 8.707 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -24.279 3.854 10.295 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -24.960 2.981 8.937 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -22.292 0.703 9.405 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -24.025 1.008 9.561 1.00 0.00 H new ATOM 1874 N LEU B 283 -23.178 5.285 6.151 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.877 5.022 4.752 1.00 0.00 C ATOM 1876 C LEU B 283 -21.471 5.499 4.432 1.00 0.00 C ATOM 1877 O LEU B 283 -21.279 6.525 3.773 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.886 5.711 3.826 1.00 0.00 C ATOM 1879 CG LEU B 283 -25.293 5.112 3.821 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -26.213 5.931 2.930 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.260 3.664 3.355 1.00 0.00 C ATOM 0 H LEU B 283 -22.898 6.212 6.470 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.946 3.947 4.585 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -23.958 6.760 4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.496 5.685 2.809 1.00 0.00 H new ATOM 0 HG LEU B 283 -25.679 5.136 4.840 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -27.211 5.492 2.936 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -26.264 6.954 3.302 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.825 5.934 1.911 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -26.271 3.257 3.359 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -24.854 3.616 2.345 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -24.631 3.080 4.027 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.489 4.757 4.913 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.095 5.104 4.692 1.00 0.00 C ATOM 1895 C LEU B 284 -18.563 4.353 3.480 1.00 0.00 C ATOM 1896 O LEU B 284 -17.479 4.648 2.977 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.256 4.760 5.923 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.946 5.535 6.048 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -17.223 6.971 6.463 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -16.012 4.856 7.034 1.00 0.00 C ATOM 0 H LEU B 284 -20.631 3.908 5.461 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.027 6.177 4.512 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.855 4.942 6.815 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -18.030 3.694 5.904 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.454 5.547 5.075 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.281 7.513 6.549 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.851 7.452 5.713 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -17.735 6.979 7.425 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -15.085 5.425 7.108 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -16.488 4.810 8.013 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.791 3.846 6.690 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.363 3.386 3.020 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.024 2.529 1.885 1.00 0.00 C ATOM 1914 C ARG B 285 -17.942 1.522 2.268 1.00 0.00 C ATOM 1915 O ARG B 285 -17.191 1.725 3.223 1.00 0.00 O ATOM 1916 CB ARG B 285 -18.579 3.345 0.663 1.00 0.00 C ATOM 1917 CG ARG B 285 -19.700 4.077 -0.064 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.178 5.284 0.717 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.113 6.106 -0.043 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.266 7.412 0.151 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.572 8.024 1.103 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.117 8.103 -0.595 1.00 0.00 N ATOM 0 H ARG B 285 -20.273 3.176 3.431 1.00 0.00 H new ATOM 0 HA ARG B 285 -19.930 1.988 1.612 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -17.836 4.075 0.983 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -18.085 2.676 -0.042 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -19.351 4.394 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.534 3.395 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.657 4.951 1.637 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.319 5.889 1.006 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.679 5.655 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -19.923 7.492 1.683 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -20.687 9.026 1.254 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.657 7.632 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -22.231 9.105 -0.443 1.00 0.00 H new ATOM 1936 N ILE B 286 -17.877 0.428 1.528 1.00 0.00 N ATOM 1937 CA ILE B 286 -16.909 -0.624 1.810 1.00 0.00 C ATOM 1938 C ILE B 286 -16.000 -0.875 0.610 1.00 0.00 C ATOM 1939 O ILE B 286 -15.288 -1.877 0.569 1.00 0.00 O ATOM 1940 CB ILE B 286 -17.610 -1.944 2.198 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -18.520 -2.423 1.058 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.408 -1.764 3.483 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.193 -3.752 1.327 1.00 0.00 C ATOM 0 H ILE B 286 -18.482 0.243 0.728 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.306 -0.281 2.651 1.00 0.00 H new ATOM 0 HB ILE B 286 -16.848 -2.704 2.371 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -19.286 -1.669 0.877 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -17.930 -2.504 0.145 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.896 -2.703 3.743 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.737 -1.468 4.290 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.163 -0.991 3.337 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -19.818 -4.022 0.476 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -18.434 -4.520 1.478 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -19.812 -3.672 2.221 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.449 1.817 0.860 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.864 1.270 -0.072 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.333 1.215 -0.064 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.518 0.724 -1.088 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.973 0.716 -1.210 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.440 -0.283 -2.258 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.924 -0.151 -2.561 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.791 -0.313 -1.324 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.267 -0.044 -1.595 1.00 0.00 C HETATM 1964 N ALY B 287 -16.037 0.054 -0.350 1.00 0.00 N HETATM 1965 C ALY B 287 -15.841 -1.123 -2.513 1.00 0.00 C HETATM 1966 O ALY B 287 -16.009 -2.276 -2.115 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.933 2.229 -0.050 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.993 0.678 0.822 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.983 0.699 -0.958 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.972 0.283 -1.828 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.208 -0.901 -3.300 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.114 0.825 -3.008 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.322 1.714 -1.476 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.418 0.469 -0.246 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.231 -1.295 -1.911 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.870 -0.137 -3.175 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.347 0.920 -2.098 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.439 0.367 -0.548 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.677 -1.325 -0.936 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.121 -0.743 -3.753 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.729 -1.655 -4.715 1.00 0.00 C ATOM 1983 C GLN B 288 -15.690 -2.566 -5.365 1.00 0.00 C ATOM 1984 O GLN B 288 -15.581 -2.639 -6.588 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.493 -0.870 -5.783 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.711 -0.142 -5.240 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.759 -1.087 -4.688 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -19.730 -1.442 -3.512 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.690 -1.499 -5.534 1.00 0.00 N ATOM 0 H GLN B 288 -15.937 0.192 -4.117 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.429 -2.290 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.820 -0.145 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.809 -1.555 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.398 0.546 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -19.153 0.461 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.677 -1.179 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.421 -2.136 -5.217 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.920 -3.250 -4.532 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.007 -4.285 -4.998 1.00 0.00 C ATOM 2000 C PHE B 289 -14.712 -5.630 -4.909 1.00 0.00 C ATOM 2001 O PHE B 289 -14.230 -6.564 -4.267 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.719 -4.298 -4.163 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.709 -3.251 -4.557 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.044 -2.230 -5.431 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.417 -3.299 -4.054 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.112 -1.276 -5.797 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.483 -2.346 -4.415 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.831 -1.333 -5.287 1.00 0.00 C ATOM 0 H PHE B 289 -14.909 -3.106 -3.522 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.726 -4.081 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.979 -4.157 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.256 -5.281 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.046 -2.178 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.138 -4.089 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.387 -0.487 -6.481 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.481 -2.394 -4.015 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.102 -0.587 -5.569 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.866 -5.712 -5.556 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.749 -6.858 -5.419 1.00 0.00 C ATOM 2020 C LEU B 290 -16.340 -7.986 -6.357 1.00 0.00 C ATOM 2021 O LEU B 290 -17.069 -8.333 -7.287 1.00 0.00 O ATOM 2022 CB LEU B 290 -18.194 -6.442 -5.709 1.00 0.00 C ATOM 2023 CG LEU B 290 -18.693 -5.212 -4.946 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -20.125 -4.890 -5.340 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -18.587 -5.426 -3.442 1.00 0.00 C ATOM 0 H LEU B 290 -16.214 -4.990 -6.187 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.672 -7.222 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.290 -6.249 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.849 -7.282 -5.477 1.00 0.00 H new ATOM 0 HG LEU B 290 -18.060 -4.365 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -20.466 -4.013 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -20.171 -4.687 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -20.767 -5.739 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.947 -4.538 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -19.191 -6.286 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -17.546 -5.607 -3.173 1.00 0.00 H new ATOM 2037 N GLN B 291 -15.173 -8.555 -6.118 1.00 0.00 N ATOM 2038 CA GLN B 291 -14.713 -9.682 -6.907 1.00 0.00 C ATOM 2039 C GLN B 291 -14.820 -10.969 -6.099 1.00 0.00 C ATOM 2040 O GLN B 291 -13.932 -11.319 -5.321 1.00 0.00 O ATOM 2041 CB GLN B 291 -13.281 -9.460 -7.404 1.00 0.00 C ATOM 2042 CG GLN B 291 -12.283 -9.116 -6.311 1.00 0.00 C ATOM 2043 CD GLN B 291 -10.861 -9.083 -6.827 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -10.616 -8.751 -7.988 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -9.917 -9.438 -5.973 1.00 0.00 N ATOM 0 H GLN B 291 -14.528 -8.256 -5.386 1.00 0.00 H new ATOM 0 HA GLN B 291 -15.353 -9.772 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -12.944 -10.361 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -13.286 -8.657 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -12.535 -8.146 -5.883 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -12.360 -9.849 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -10.165 -9.706 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -8.940 -9.444 -6.266 1.00 0.00 H new ATOM 2054 N SER B 292 -15.934 -11.655 -6.263 1.00 0.00 N ATOM 2055 CA SER B 292 -16.163 -12.905 -5.572 1.00 0.00 C ATOM 2056 C SER B 292 -15.769 -14.062 -6.480 1.00 0.00 C ATOM 2057 O SER B 292 -14.624 -14.544 -6.368 1.00 0.00 O ATOM 2058 CB SER B 292 -17.632 -13.018 -5.155 1.00 0.00 C ATOM 2059 OG SER B 292 -17.820 -14.047 -4.198 1.00 0.00 O ATOM 2060 OXT SER B 292 -16.593 -14.462 -7.332 1.00 0.00 O ATOM 0 H SER B 292 -16.698 -11.364 -6.873 1.00 0.00 H new ATOM 0 HA SER B 292 -15.553 -12.939 -4.670 1.00 0.00 H new ATOM 0 HB2 SER B 292 -17.968 -12.068 -4.741 1.00 0.00 H new ATOM 0 HB3 SER B 292 -18.247 -13.218 -6.033 1.00 0.00 H new ATOM 0 HG SER B 292 -18.767 -14.094 -3.950 1.00 0.00 H new TER 2066 SER B 292