USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 43 SER OG : rot -73:sc= 1.16 USER MOD Set 1.2: B 44 THR OG1 : rot 160:sc= 2.03 USER MOD Set 2.1: B 38 GLN : amide:sc= 0.623 K(o=2.5,f=0.13) USER MOD Set 2.2: B 39 GLN : amide:sc= 1.9 K(o=2.5,f=0.13) USER MOD Set 3.1: B 17 CYS SG : rot 179:sc= 0.373 USER MOD Set 3.2: B 46 SER OG : rot 159:sc= 0.876 USER MOD Set 4.1: A 17 CYS SG : rot -169:sc= 0.599 USER MOD Set 4.2: A 46 SER OG : rot 163:sc= 0.836 USER MOD Set 5.1: A 44 THR OG1 : rot 24:sc= 2.29 USER MOD Set 5.2: B 8 GLN : amide:sc= 0.41 K(o=6.1,f=4.3) USER MOD Set 5.3: B 29 SER OG : rot -174:sc= 1.89 USER MOD Set 5.4: B 30 SER OG : rot 92:sc= 1.48 USER MOD Set 6.1: A 38 GLN : amide:sc= 0.248 K(o=1.7,f=0.25) USER MOD Set 6.2: A 39 GLN : amide:sc= 1.42 K(o=1.7,f=0.25) USER MOD Set 7.1: A 8 GLN : amide:sc= 0.816 K(o=1.8,f=1.1) USER MOD Set 7.2: A 30 SER OG : rot -101:sc= 0.936 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.122 (180deg=0) USER MOD Single : A 2 SER OG : rot 5:sc= 1.15 USER MOD Single : A 3 HIS : no HE2:sc= -0.0169 K(o=-0.017,f=-2.2!) USER MOD Single : A 4 MET CE :methyl 173:sc= -1.19 (180deg=-1.33) USER MOD Single : A 10 HIS : no HE2:sc= -0.264 K(o=-0.26,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.63) USER MOD Single : A 14 CYS SG : rot 163:sc= 1.56 USER MOD Single : A 16 CYS SG : rot -164:sc= -2.78! USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 1.78 (180deg=1.01) USER MOD Single : A 26 THR OG1 : rot -130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.407 USER MOD Single : A 36 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 43 SER OG : rot -105:sc= 0.985 USER MOD Single : A 54 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 55 ASN : amide:sc= 1.15 K(o=1.1,f=-0.049) USER MOD Single : A 56 GLN : amide:sc= 0.378 K(o=0.38,f=-4.3!) USER MOD Single : B 1 GLY N :NH3+ 138:sc= 0.0461 (180deg=0) USER MOD Single : B 2 SER OG : rot -59:sc= 1.71 USER MOD Single : B 3 HIS : no HE2:sc= 0.911 K(o=0.91,f=-3.4!) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 HIS : no HE2:sc= -0.935 K(o=-0.93,f=-3.6) USER MOD Single : B 11 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.08) USER MOD Single : B 14 CYS SG : rot 159:sc= 0.418 USER MOD Single : B 16 CYS SG : rot 147:sc= 0.064 USER MOD Single : B 18 LYS NZ :NH3+ -162:sc= -0.0209 (180deg=-2.1!) USER MOD Single : B 26 THR OG1 : rot 60:sc= 0.752 USER MOD Single : B 36 THR OG1 : rot 91:sc= 1.22 USER MOD Single : B 54 THR OG1 : rot 95:sc= 1.18 USER MOD Single : B 55 ASN : amide:sc= 1.2 K(o=1.2,f=-0.025) USER MOD Single : B 56 GLN : amide:sc= 1.54 K(o=1.5,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.693 4.179 -15.099 1.00 0.00 N ATOM 2 CA GLY A 1 -17.295 3.506 -13.934 1.00 0.00 C ATOM 3 C GLY A 1 -16.686 4.047 -12.649 1.00 0.00 C ATOM 4 O GLY A 1 -16.054 5.102 -12.670 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.435 4.403 -15.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.230 5.058 -14.791 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.988 3.552 -15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.374 3.664 -13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.130 2.431 -14.000 1.00 0.00 H new ATOM 8 N SER A 2 -16.891 3.361 -11.525 1.00 0.00 N ATOM 9 CA SER A 2 -16.257 3.617 -10.233 1.00 0.00 C ATOM 10 C SER A 2 -16.519 2.391 -9.351 1.00 0.00 C ATOM 11 O SER A 2 -17.295 1.514 -9.738 1.00 0.00 O ATOM 12 CB SER A 2 -16.850 4.881 -9.589 1.00 0.00 C ATOM 13 OG SER A 2 -16.457 6.034 -10.305 1.00 0.00 O ATOM 0 H SER A 2 -17.536 2.572 -11.490 1.00 0.00 H new ATOM 0 HA SER A 2 -15.186 3.782 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.938 4.811 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.518 4.958 -8.554 1.00 0.00 H new ATOM 0 HG SER A 2 -15.949 5.768 -11.100 1.00 0.00 H new ATOM 19 N HIS A 3 -15.912 2.352 -8.163 1.00 0.00 N ATOM 20 CA HIS A 3 -16.204 1.398 -7.106 1.00 0.00 C ATOM 21 C HIS A 3 -16.223 2.189 -5.799 1.00 0.00 C ATOM 22 O HIS A 3 -15.374 3.062 -5.610 1.00 0.00 O ATOM 23 CB HIS A 3 -15.134 0.299 -7.089 1.00 0.00 C ATOM 24 CG HIS A 3 -15.312 -0.664 -5.945 1.00 0.00 C ATOM 25 ND1 HIS A 3 -16.205 -1.713 -5.892 1.00 0.00 N ATOM 26 CD2 HIS A 3 -14.659 -0.607 -4.742 1.00 0.00 C ATOM 27 CE1 HIS A 3 -16.086 -2.278 -4.679 1.00 0.00 C ATOM 28 NE2 HIS A 3 -15.169 -1.632 -3.942 1.00 0.00 N ATOM 0 H HIS A 3 -15.177 3.011 -7.907 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.163 0.903 -7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.167 -0.250 -8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.148 0.758 -7.023 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -16.839 -2.006 -6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.892 0.100 -4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.651 -3.135 -4.343 1.00 0.00 H new ATOM 36 N MET A 4 -17.206 1.923 -4.931 1.00 0.00 N ATOM 37 CA MET A 4 -17.369 2.547 -3.622 1.00 0.00 C ATOM 38 C MET A 4 -18.528 1.862 -2.887 1.00 0.00 C ATOM 39 O MET A 4 -19.182 0.990 -3.460 1.00 0.00 O ATOM 40 CB MET A 4 -17.618 4.066 -3.773 1.00 0.00 C ATOM 41 CG MET A 4 -16.513 4.831 -3.044 1.00 0.00 C ATOM 42 SD MET A 4 -16.571 6.625 -3.247 1.00 0.00 S ATOM 43 CE MET A 4 -15.201 7.032 -2.143 1.00 0.00 C ATOM 0 H MET A 4 -17.936 1.240 -5.134 1.00 0.00 H new ATOM 0 HA MET A 4 -16.457 2.425 -3.038 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.633 4.341 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.592 4.330 -3.361 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.570 4.598 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.547 4.471 -3.398 1.00 0.00 H new ATOM 0 HE1 MET A 4 -14.980 8.097 -2.214 1.00 0.00 H new ATOM 0 HE2 MET A 4 -15.475 6.786 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 4 -14.320 6.459 -2.430 1.00 0.00 H new ATOM 53 N ALA A 5 -18.792 2.291 -1.642 1.00 0.00 N ATOM 54 CA ALA A 5 -19.896 1.846 -0.787 1.00 0.00 C ATOM 55 C ALA A 5 -19.912 0.327 -0.558 1.00 0.00 C ATOM 56 O ALA A 5 -20.970 -0.263 -0.354 1.00 0.00 O ATOM 57 CB ALA A 5 -21.227 2.408 -1.313 1.00 0.00 C ATOM 0 H ALA A 5 -18.210 2.993 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.738 2.257 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -22.042 2.073 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -21.188 3.497 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -21.395 2.053 -2.330 1.00 0.00 H new ATOM 63 N GLU A 6 -18.727 -0.285 -0.561 1.00 0.00 N ATOM 64 CA GLU A 6 -18.496 -1.717 -0.445 1.00 0.00 C ATOM 65 C GLU A 6 -17.365 -1.952 0.568 1.00 0.00 C ATOM 66 O GLU A 6 -16.569 -1.034 0.810 1.00 0.00 O ATOM 67 CB GLU A 6 -18.103 -2.259 -1.832 1.00 0.00 C ATOM 68 CG GLU A 6 -19.305 -2.601 -2.723 1.00 0.00 C ATOM 69 CD GLU A 6 -19.884 -3.977 -2.381 1.00 0.00 C ATOM 70 OE1 GLU A 6 -20.470 -4.105 -1.282 1.00 0.00 O ATOM 71 OE2 GLU A 6 -19.696 -4.896 -3.208 1.00 0.00 O ATOM 0 H GLU A 6 -17.857 0.239 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.392 -2.233 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.484 -1.519 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.491 -3.152 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.076 -1.840 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.000 -2.583 -3.769 1.00 0.00 H new ATOM 78 N PRO A 7 -17.247 -3.166 1.142 1.00 0.00 N ATOM 79 CA PRO A 7 -16.174 -3.530 2.057 1.00 0.00 C ATOM 80 C PRO A 7 -14.875 -3.719 1.266 1.00 0.00 C ATOM 81 O PRO A 7 -14.465 -4.840 0.957 1.00 0.00 O ATOM 82 CB PRO A 7 -16.664 -4.798 2.767 1.00 0.00 C ATOM 83 CG PRO A 7 -17.533 -5.476 1.708 1.00 0.00 C ATOM 84 CD PRO A 7 -18.144 -4.300 0.945 1.00 0.00 C ATOM 0 HA PRO A 7 -15.946 -2.766 2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.834 -5.434 3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.234 -4.562 3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.942 -6.116 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.301 -6.104 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.244 -4.535 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.143 -4.073 1.317 1.00 0.00 H new ATOM 92 N GLN A 8 -14.243 -2.603 0.900 1.00 0.00 N ATOM 93 CA GLN A 8 -13.022 -2.578 0.117 1.00 0.00 C ATOM 94 C GLN A 8 -12.131 -1.448 0.633 1.00 0.00 C ATOM 95 O GLN A 8 -11.090 -1.739 1.206 1.00 0.00 O ATOM 96 CB GLN A 8 -13.387 -2.502 -1.379 1.00 0.00 C ATOM 97 CG GLN A 8 -12.372 -3.178 -2.316 1.00 0.00 C ATOM 98 CD GLN A 8 -12.156 -4.685 -2.109 1.00 0.00 C ATOM 99 OE1 GLN A 8 -11.137 -5.229 -2.518 1.00 0.00 O ATOM 100 NE2 GLN A 8 -13.061 -5.412 -1.463 1.00 0.00 N ATOM 0 H GLN A 8 -14.580 -1.673 1.149 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.436 -3.490 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.363 -2.964 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.484 -1.454 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.695 -3.016 -3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.412 -2.675 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.914 -4.974 -1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.902 -6.408 -1.314 1.00 0.00 H new ATOM 109 N ARG A 9 -12.520 -0.175 0.470 1.00 0.00 N ATOM 110 CA ARG A 9 -11.788 1.006 0.949 1.00 0.00 C ATOM 111 C ARG A 9 -11.528 0.911 2.458 1.00 0.00 C ATOM 112 O ARG A 9 -12.363 1.344 3.252 1.00 0.00 O ATOM 113 CB ARG A 9 -12.572 2.270 0.536 1.00 0.00 C ATOM 114 CG ARG A 9 -11.889 3.609 0.771 1.00 0.00 C ATOM 115 CD ARG A 9 -11.968 4.174 2.201 1.00 0.00 C ATOM 116 NE ARG A 9 -11.867 5.652 2.225 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.892 6.513 2.348 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.149 6.084 2.445 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.704 7.832 2.381 1.00 0.00 N ATOM 0 H ARG A 9 -13.383 0.069 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.801 1.061 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.809 2.191 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.520 2.273 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.838 3.509 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.325 4.340 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.909 3.868 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.166 3.747 2.803 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.933 6.053 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.349 5.084 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.911 6.755 2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.761 8.215 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.503 8.459 2.475 1.00 0.00 H new ATOM 133 N HIS A 10 -10.379 0.358 2.858 1.00 0.00 N ATOM 134 CA HIS A 10 -10.049 0.028 4.241 1.00 0.00 C ATOM 135 C HIS A 10 -8.742 0.712 4.623 1.00 0.00 C ATOM 136 O HIS A 10 -7.971 1.124 3.762 1.00 0.00 O ATOM 137 CB HIS A 10 -9.991 -1.493 4.426 1.00 0.00 C ATOM 138 CG HIS A 10 -11.316 -2.213 4.267 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.490 -3.524 3.896 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.567 -1.680 4.413 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.808 -3.773 3.846 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.512 -2.678 4.162 1.00 0.00 N ATOM 0 H HIS A 10 -9.632 0.122 2.205 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.827 0.396 4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.284 -1.904 3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.596 -1.708 5.419 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.747 -4.192 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.788 -0.657 4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.242 -4.727 3.586 1.00 0.00 H new ATOM 150 N LYS A 11 -8.509 0.884 5.927 1.00 0.00 N ATOM 151 CA LYS A 11 -7.580 1.886 6.430 1.00 0.00 C ATOM 152 C LYS A 11 -6.702 1.305 7.528 1.00 0.00 C ATOM 153 O LYS A 11 -7.088 1.308 8.697 1.00 0.00 O ATOM 154 CB LYS A 11 -8.394 3.093 6.911 1.00 0.00 C ATOM 155 CG LYS A 11 -9.031 3.879 5.743 1.00 0.00 C ATOM 156 CD LYS A 11 -10.090 4.899 6.177 1.00 0.00 C ATOM 157 CE LYS A 11 -9.557 5.669 7.380 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.202 6.969 7.634 1.00 0.00 N ATOM 0 H LYS A 11 -8.960 0.332 6.657 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.902 2.210 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.179 2.752 7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.748 3.759 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.244 4.399 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.486 3.172 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.314 5.583 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.021 4.393 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.670 5.047 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.489 5.834 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.559 7.574 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.422 7.430 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.081 6.822 8.170 1.00 0.00 H new ATOM 172 N ILE A 12 -5.524 0.803 7.156 1.00 0.00 N ATOM 173 CA ILE A 12 -4.546 0.316 8.125 1.00 0.00 C ATOM 174 C ILE A 12 -3.754 1.530 8.618 1.00 0.00 C ATOM 175 O ILE A 12 -2.825 1.995 7.971 1.00 0.00 O ATOM 176 CB ILE A 12 -3.644 -0.801 7.548 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.470 -1.933 6.894 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.747 -1.327 8.687 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.609 -2.934 6.119 1.00 0.00 C ATOM 0 H ILE A 12 -5.224 0.724 6.184 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.052 -0.160 8.965 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.023 -0.394 6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.025 -2.463 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.204 -1.495 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.100 -2.117 8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.135 -0.512 9.074 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.371 -1.724 9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.247 -3.703 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.074 -2.415 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.892 -3.398 6.796 1.00 0.00 H new ATOM 191 N LEU A 13 -4.122 2.093 9.761 1.00 0.00 N ATOM 192 CA LEU A 13 -3.333 3.127 10.397 1.00 0.00 C ATOM 193 C LEU A 13 -2.001 2.524 10.831 1.00 0.00 C ATOM 194 O LEU A 13 -1.967 1.663 11.710 1.00 0.00 O ATOM 195 CB LEU A 13 -4.108 3.778 11.543 1.00 0.00 C ATOM 196 CG LEU A 13 -3.411 5.073 12.010 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.483 6.074 12.433 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.424 4.852 13.164 1.00 0.00 C ATOM 0 H LEU A 13 -4.972 1.844 10.267 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.122 3.934 9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.124 4.003 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.186 3.081 12.377 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.823 5.450 11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.008 6.997 12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.136 6.287 11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.072 5.654 13.248 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.970 5.803 13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.954 4.438 14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.646 4.157 12.849 1.00 0.00 H new ATOM 210 N CYS A 14 -0.921 2.962 10.186 1.00 0.00 N ATOM 211 CA CYS A 14 0.439 2.544 10.498 1.00 0.00 C ATOM 212 C CYS A 14 1.354 3.769 10.660 1.00 0.00 C ATOM 213 O CYS A 14 0.884 4.901 10.794 1.00 0.00 O ATOM 214 CB CYS A 14 0.914 1.572 9.406 1.00 0.00 C ATOM 215 SG CYS A 14 2.193 0.465 10.063 1.00 0.00 S ATOM 0 H CYS A 14 -0.971 3.630 9.417 1.00 0.00 H new ATOM 0 HA CYS A 14 0.473 2.018 11.452 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.071 0.987 9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.308 2.132 8.558 1.00 0.00 H new ATOM 0 HG CYS A 14 2.323 -0.562 9.277 1.00 0.00 H new ATOM 221 N VAL A 15 2.669 3.546 10.637 1.00 0.00 N ATOM 222 CA VAL A 15 3.668 4.595 10.502 1.00 0.00 C ATOM 223 C VAL A 15 4.522 4.303 9.270 1.00 0.00 C ATOM 224 O VAL A 15 4.659 3.154 8.847 1.00 0.00 O ATOM 225 CB VAL A 15 4.522 4.757 11.780 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.680 5.297 12.943 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.221 3.458 12.210 1.00 0.00 C ATOM 0 H VAL A 15 3.072 2.612 10.713 1.00 0.00 H new ATOM 0 HA VAL A 15 3.164 5.552 10.368 1.00 0.00 H new ATOM 0 HB VAL A 15 5.300 5.477 11.526 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.307 5.401 13.829 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.269 6.270 12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.865 4.605 13.154 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.804 3.640 13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.473 2.691 12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.883 3.120 11.413 1.00 0.00 H new ATOM 237 N CYS A 16 5.100 5.359 8.701 1.00 0.00 N ATOM 238 CA CYS A 16 6.098 5.269 7.661 1.00 0.00 C ATOM 239 C CYS A 16 7.391 4.763 8.285 1.00 0.00 C ATOM 240 O CYS A 16 7.949 5.447 9.145 1.00 0.00 O ATOM 241 CB CYS A 16 6.338 6.641 7.034 1.00 0.00 C ATOM 242 SG CYS A 16 7.406 6.346 5.613 1.00 0.00 S ATOM 0 H CYS A 16 4.876 6.319 8.963 1.00 0.00 H new ATOM 0 HA CYS A 16 5.756 4.588 6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.399 7.102 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.810 7.319 7.745 1.00 0.00 H new ATOM 0 HG CYS A 16 7.939 7.468 5.230 1.00 0.00 H new ATOM 247 N CYS A 17 7.891 3.620 7.811 1.00 0.00 N ATOM 248 CA CYS A 17 9.077 2.962 8.353 1.00 0.00 C ATOM 249 C CYS A 17 10.281 3.905 8.473 1.00 0.00 C ATOM 250 O CYS A 17 11.046 3.816 9.432 1.00 0.00 O ATOM 251 CB CYS A 17 9.407 1.782 7.438 1.00 0.00 C ATOM 252 SG CYS A 17 10.638 0.688 8.190 1.00 0.00 S ATOM 0 H CYS A 17 7.474 3.119 7.026 1.00 0.00 H new ATOM 0 HA CYS A 17 8.862 2.628 9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.498 1.219 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.782 2.153 6.484 1.00 0.00 H new ATOM 0 HG CYS A 17 11.055 -0.169 7.306 1.00 0.00 H new ATOM 258 N LYS A 18 10.437 4.831 7.518 1.00 0.00 N ATOM 259 CA LYS A 18 11.630 5.655 7.384 1.00 0.00 C ATOM 260 C LYS A 18 11.418 7.112 7.790 1.00 0.00 C ATOM 261 O LYS A 18 12.394 7.863 7.825 1.00 0.00 O ATOM 262 CB LYS A 18 12.168 5.510 5.956 1.00 0.00 C ATOM 263 CG LYS A 18 11.264 6.101 4.859 1.00 0.00 C ATOM 264 CD LYS A 18 11.923 7.255 4.090 1.00 0.00 C ATOM 265 CE LYS A 18 11.806 8.587 4.845 1.00 0.00 C ATOM 266 NZ LYS A 18 13.085 9.071 5.395 1.00 0.00 N ATOM 0 H LYS A 18 9.727 5.026 6.812 1.00 0.00 H new ATOM 0 HA LYS A 18 12.377 5.294 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.144 5.992 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.323 4.451 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.993 5.313 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.338 6.456 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.975 7.025 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.456 7.351 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.402 9.342 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.091 8.471 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.012 10.088 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.303 8.556 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.844 8.910 4.702 1.00 0.00 H new ATOM 280 N CYS A 19 10.174 7.530 8.056 1.00 0.00 N ATOM 281 CA CYS A 19 9.858 8.831 8.622 1.00 0.00 C ATOM 282 C CYS A 19 9.491 8.746 10.106 1.00 0.00 C ATOM 283 O CYS A 19 9.521 9.772 10.778 1.00 0.00 O ATOM 284 CB CYS A 19 8.702 9.474 7.880 1.00 0.00 C ATOM 285 SG CYS A 19 8.619 9.370 6.072 1.00 0.00 S ATOM 0 H CYS A 19 9.349 6.957 7.878 1.00 0.00 H new ATOM 0 HA CYS A 19 10.759 9.436 8.518 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.783 9.040 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.694 10.531 8.145 1.00 0.00 H new ATOM 290 N ASP A 20 9.084 7.559 10.582 1.00 0.00 N ATOM 291 CA ASP A 20 8.309 7.339 11.805 1.00 0.00 C ATOM 292 C ASP A 20 7.179 8.370 11.948 1.00 0.00 C ATOM 293 O ASP A 20 6.993 9.002 12.986 1.00 0.00 O ATOM 294 CB ASP A 20 9.222 7.209 13.032 1.00 0.00 C ATOM 295 CG ASP A 20 8.456 6.700 14.261 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.494 5.918 14.066 1.00 0.00 O ATOM 297 OD2 ASP A 20 8.880 7.050 15.385 1.00 0.00 O ATOM 0 H ASP A 20 9.299 6.687 10.098 1.00 0.00 H new ATOM 0 HA ASP A 20 7.802 6.377 11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.041 6.526 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.668 8.178 13.257 1.00 0.00 H new ATOM 302 N GLY A 21 6.425 8.556 10.856 1.00 0.00 N ATOM 303 CA GLY A 21 5.268 9.439 10.805 1.00 0.00 C ATOM 304 C GLY A 21 4.016 8.635 10.505 1.00 0.00 C ATOM 305 O GLY A 21 4.067 7.654 9.769 1.00 0.00 O ATOM 0 H GLY A 21 6.612 8.085 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.156 9.961 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.414 10.200 10.038 1.00 0.00 H new ATOM 309 N ARG A 22 2.889 9.073 11.061 1.00 0.00 N ATOM 310 CA ARG A 22 1.592 8.406 11.017 1.00 0.00 C ATOM 311 C ARG A 22 1.103 8.351 9.575 1.00 0.00 C ATOM 312 O ARG A 22 0.989 9.400 8.941 1.00 0.00 O ATOM 313 CB ARG A 22 0.646 9.184 11.951 1.00 0.00 C ATOM 314 CG ARG A 22 -0.812 8.700 12.026 1.00 0.00 C ATOM 315 CD ARG A 22 -1.727 9.331 10.961 1.00 0.00 C ATOM 316 NE ARG A 22 -3.140 9.247 11.365 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.203 9.442 10.573 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.078 9.899 9.331 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.429 9.148 10.992 1.00 0.00 N ATOM 0 H ARG A 22 2.855 9.949 11.582 1.00 0.00 H new ATOM 0 HA ARG A 22 1.644 7.373 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.065 9.157 12.957 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.641 10.228 11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.832 7.616 11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.210 8.926 13.015 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.449 10.374 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.586 8.822 10.007 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.328 9.019 12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.153 10.112 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.907 10.037 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.571 8.768 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.229 9.302 10.378 1.00 0.00 H new ATOM 333 N ILE A 23 0.756 7.156 9.083 1.00 0.00 N ATOM 334 CA ILE A 23 0.054 6.998 7.817 1.00 0.00 C ATOM 335 C ILE A 23 -1.279 6.308 8.111 1.00 0.00 C ATOM 336 O ILE A 23 -1.371 5.460 8.992 1.00 0.00 O ATOM 337 CB ILE A 23 0.850 6.184 6.763 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.343 6.545 6.601 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.137 6.391 5.408 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.112 5.459 5.822 1.00 0.00 C ATOM 0 H ILE A 23 0.957 6.275 9.556 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.087 7.987 7.381 1.00 0.00 H new ATOM 0 HB ILE A 23 0.859 5.152 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.432 7.498 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.794 6.676 7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.663 5.835 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.890 6.033 5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.135 7.452 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.158 5.750 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.045 4.511 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.677 5.347 4.829 1.00 0.00 H new ATOM 352 N GLU A 24 -2.303 6.617 7.322 1.00 0.00 N ATOM 353 CA GLU A 24 -3.611 5.994 7.378 1.00 0.00 C ATOM 354 C GLU A 24 -3.822 5.260 6.060 1.00 0.00 C ATOM 355 O GLU A 24 -4.339 5.811 5.081 1.00 0.00 O ATOM 356 CB GLU A 24 -4.597 7.094 7.718 1.00 0.00 C ATOM 357 CG GLU A 24 -6.055 6.661 7.793 1.00 0.00 C ATOM 358 CD GLU A 24 -6.900 7.776 8.454 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.447 8.946 8.518 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.995 7.464 8.970 1.00 0.00 O ATOM 0 H GLU A 24 -2.237 7.335 6.601 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.739 5.232 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.315 7.529 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.507 7.883 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.433 6.450 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.141 5.738 8.367 1.00 0.00 H new ATOM 367 N LEU A 25 -3.284 4.036 6.023 1.00 0.00 N ATOM 368 CA LEU A 25 -3.006 3.310 4.800 1.00 0.00 C ATOM 369 C LEU A 25 -4.318 2.889 4.153 1.00 0.00 C ATOM 370 O LEU A 25 -4.888 1.860 4.528 1.00 0.00 O ATOM 371 CB LEU A 25 -2.166 2.059 5.058 1.00 0.00 C ATOM 372 CG LEU A 25 -0.802 2.272 5.731 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.198 0.918 6.116 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.158 2.971 4.764 1.00 0.00 C ATOM 0 H LEU A 25 -3.028 3.520 6.865 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.443 3.973 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.750 1.379 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.001 1.557 4.105 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.946 2.887 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.770 1.074 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.866 0.405 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.067 0.310 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.122 3.117 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.290 2.355 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.254 3.938 4.478 1.00 0.00 H new ATOM 386 N THR A 26 -4.815 3.694 3.216 1.00 0.00 N ATOM 387 CA THR A 26 -6.103 3.428 2.610 1.00 0.00 C ATOM 388 C THR A 26 -5.898 2.453 1.443 1.00 0.00 C ATOM 389 O THR A 26 -5.703 2.855 0.297 1.00 0.00 O ATOM 390 CB THR A 26 -6.837 4.726 2.273 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.809 5.603 3.393 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.304 4.383 1.975 1.00 0.00 C ATOM 0 H THR A 26 -4.344 4.528 2.867 1.00 0.00 H new ATOM 0 HA THR A 26 -6.778 2.934 3.309 1.00 0.00 H new ATOM 0 HB THR A 26 -6.359 5.205 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.715 5.929 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.849 5.295 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.353 3.695 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.753 3.915 2.851 1.00 0.00 H new ATOM 400 N VAL A 27 -5.892 1.155 1.750 1.00 0.00 N ATOM 401 CA VAL A 27 -5.739 0.091 0.763 1.00 0.00 C ATOM 402 C VAL A 27 -7.153 -0.427 0.512 1.00 0.00 C ATOM 403 O VAL A 27 -7.971 -0.523 1.431 1.00 0.00 O ATOM 404 CB VAL A 27 -4.710 -0.985 1.233 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.411 -0.315 1.716 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.233 -1.825 2.411 1.00 0.00 C ATOM 0 H VAL A 27 -5.995 0.811 2.705 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.309 0.437 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.538 -1.627 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.706 -1.080 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.973 0.260 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.633 0.350 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.479 -2.558 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.446 -1.172 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.146 -2.341 2.113 1.00 0.00 H new ATOM 416 N GLU A 28 -7.491 -0.671 -0.748 1.00 0.00 N ATOM 417 CA GLU A 28 -8.866 -0.915 -1.129 1.00 0.00 C ATOM 418 C GLU A 28 -8.911 -2.430 -1.334 1.00 0.00 C ATOM 419 O GLU A 28 -8.324 -2.973 -2.267 1.00 0.00 O ATOM 420 CB GLU A 28 -9.202 0.021 -2.299 1.00 0.00 C ATOM 421 CG GLU A 28 -10.683 0.409 -2.377 1.00 0.00 C ATOM 422 CD GLU A 28 -11.192 0.569 -3.809 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.944 -0.352 -4.625 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.836 1.603 -4.081 1.00 0.00 O ATOM 0 H GLU A 28 -6.826 -0.704 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.656 -0.676 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.603 0.927 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.913 -0.462 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.278 -0.351 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.835 1.344 -1.838 1.00 0.00 H new ATOM 431 N SER A 29 -9.376 -3.154 -0.311 1.00 0.00 N ATOM 432 CA SER A 29 -9.082 -4.558 -0.146 1.00 0.00 C ATOM 433 C SER A 29 -10.138 -5.246 0.708 1.00 0.00 C ATOM 434 O SER A 29 -10.448 -4.767 1.795 1.00 0.00 O ATOM 435 CB SER A 29 -7.772 -4.610 0.624 1.00 0.00 C ATOM 436 OG SER A 29 -6.732 -3.895 -0.017 1.00 0.00 O ATOM 0 H SER A 29 -9.969 -2.769 0.424 1.00 0.00 H new ATOM 0 HA SER A 29 -9.046 -5.053 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.926 -4.201 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.469 -5.650 0.748 1.00 0.00 H new ATOM 0 HG SER A 29 -5.913 -3.958 0.518 1.00 0.00 H new ATOM 442 N SER A 30 -10.638 -6.401 0.270 1.00 0.00 N ATOM 443 CA SER A 30 -11.614 -7.193 1.023 1.00 0.00 C ATOM 444 C SER A 30 -11.012 -7.575 2.371 1.00 0.00 C ATOM 445 O SER A 30 -9.820 -7.851 2.432 1.00 0.00 O ATOM 446 CB SER A 30 -11.964 -8.467 0.253 1.00 0.00 C ATOM 447 OG SER A 30 -12.424 -8.148 -1.047 1.00 0.00 O ATOM 0 H SER A 30 -10.376 -6.818 -0.623 1.00 0.00 H new ATOM 0 HA SER A 30 -12.519 -6.603 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.088 -9.112 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.731 -9.025 0.790 1.00 0.00 H new ATOM 0 HG SER A 30 -13.402 -8.202 -1.070 1.00 0.00 H new ATOM 453 N ALA A 31 -11.805 -7.633 3.446 1.00 0.00 N ATOM 454 CA ALA A 31 -11.269 -7.711 4.807 1.00 0.00 C ATOM 455 C ALA A 31 -10.272 -8.864 5.025 1.00 0.00 C ATOM 456 O ALA A 31 -9.248 -8.661 5.673 1.00 0.00 O ATOM 457 CB ALA A 31 -12.426 -7.788 5.807 1.00 0.00 C ATOM 0 H ALA A 31 -12.824 -7.627 3.398 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.691 -6.802 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.028 -7.846 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.049 -6.898 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.026 -8.674 5.602 1.00 0.00 H new ATOM 463 N GLU A 32 -10.521 -10.051 4.463 1.00 0.00 N ATOM 464 CA GLU A 32 -9.652 -11.216 4.626 1.00 0.00 C ATOM 465 C GLU A 32 -8.446 -11.179 3.667 1.00 0.00 C ATOM 466 O GLU A 32 -7.405 -11.797 3.906 1.00 0.00 O ATOM 467 CB GLU A 32 -10.471 -12.489 4.390 1.00 0.00 C ATOM 468 CG GLU A 32 -11.426 -12.834 5.551 1.00 0.00 C ATOM 469 CD GLU A 32 -10.729 -13.553 6.718 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.109 -12.869 7.563 1.00 0.00 O ATOM 471 OE2 GLU A 32 -10.812 -14.796 6.799 1.00 0.00 O ATOM 0 H GLU A 32 -11.338 -10.230 3.878 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.256 -11.204 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.052 -12.373 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.790 -13.325 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.884 -11.917 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.232 -13.464 5.175 1.00 0.00 H new ATOM 478 N ASP A 33 -8.565 -10.426 2.577 1.00 0.00 N ATOM 479 CA ASP A 33 -7.531 -10.203 1.584 1.00 0.00 C ATOM 480 C ASP A 33 -6.562 -9.126 2.115 1.00 0.00 C ATOM 481 O ASP A 33 -5.340 -9.279 2.100 1.00 0.00 O ATOM 482 CB ASP A 33 -8.247 -9.837 0.270 1.00 0.00 C ATOM 483 CG ASP A 33 -7.458 -10.185 -0.989 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.218 -10.256 -0.898 1.00 0.00 O ATOM 485 OD2 ASP A 33 -8.111 -10.342 -2.051 1.00 0.00 O ATOM 0 H ASP A 33 -9.430 -9.933 2.356 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.915 -11.080 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.208 -10.351 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.458 -8.768 0.270 1.00 0.00 H new ATOM 490 N LEU A 34 -7.131 -8.101 2.764 1.00 0.00 N ATOM 491 CA LEU A 34 -6.453 -7.128 3.620 1.00 0.00 C ATOM 492 C LEU A 34 -5.701 -7.845 4.732 1.00 0.00 C ATOM 493 O LEU A 34 -4.546 -7.547 5.009 1.00 0.00 O ATOM 494 CB LEU A 34 -7.475 -6.117 4.170 1.00 0.00 C ATOM 495 CG LEU A 34 -6.943 -5.213 5.309 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.489 -3.793 5.137 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.357 -5.712 6.702 1.00 0.00 C ATOM 0 H LEU A 34 -8.133 -7.922 2.700 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.719 -6.572 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.816 -5.484 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.345 -6.663 4.534 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.855 -5.234 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.113 -3.159 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.165 -3.392 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.578 -3.815 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.957 -5.041 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.445 -5.733 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.963 -6.716 6.861 1.00 0.00 H new ATOM 509 N ARG A 35 -6.363 -8.802 5.370 1.00 0.00 N ATOM 510 CA ARG A 35 -5.803 -9.621 6.439 1.00 0.00 C ATOM 511 C ARG A 35 -4.638 -10.434 5.904 1.00 0.00 C ATOM 512 O ARG A 35 -3.602 -10.514 6.553 1.00 0.00 O ATOM 513 CB ARG A 35 -6.859 -10.555 7.021 1.00 0.00 C ATOM 514 CG ARG A 35 -6.402 -11.237 8.317 1.00 0.00 C ATOM 515 CD ARG A 35 -7.514 -12.207 8.695 1.00 0.00 C ATOM 516 NE ARG A 35 -7.199 -13.050 9.851 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.953 -14.101 10.206 1.00 0.00 C ATOM 518 NH1 ARG A 35 -9.075 -14.397 9.543 1.00 0.00 N ATOM 519 NH2 ARG A 35 -7.568 -14.860 11.234 1.00 0.00 N ATOM 0 H ARG A 35 -7.331 -9.037 5.152 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.455 -8.960 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.770 -9.989 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.109 -11.318 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.459 -11.763 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.238 -10.504 9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.421 -11.640 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.731 -12.847 7.840 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.374 -12.829 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.369 -13.820 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.638 -15.200 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.710 -14.638 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.132 -15.662 11.515 1.00 0.00 H new ATOM 533 N THR A 36 -4.792 -11.029 4.728 1.00 0.00 N ATOM 534 CA THR A 36 -3.721 -11.760 4.064 1.00 0.00 C ATOM 535 C THR A 36 -2.510 -10.830 3.867 1.00 0.00 C ATOM 536 O THR A 36 -1.397 -11.152 4.294 1.00 0.00 O ATOM 537 CB THR A 36 -4.261 -12.388 2.764 1.00 0.00 C ATOM 538 OG1 THR A 36 -5.378 -13.211 3.062 1.00 0.00 O ATOM 539 CG2 THR A 36 -3.209 -13.264 2.078 1.00 0.00 C ATOM 0 H THR A 36 -5.668 -11.018 4.206 1.00 0.00 H new ATOM 0 HA THR A 36 -3.366 -12.589 4.676 1.00 0.00 H new ATOM 0 HB THR A 36 -4.536 -11.570 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.165 -12.649 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.628 -13.689 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.337 -12.659 1.830 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.912 -14.069 2.750 1.00 0.00 H new ATOM 547 N LEU A 37 -2.722 -9.628 3.318 1.00 0.00 N ATOM 548 CA LEU A 37 -1.649 -8.644 3.168 1.00 0.00 C ATOM 549 C LEU A 37 -1.137 -8.119 4.530 1.00 0.00 C ATOM 550 O LEU A 37 0.031 -7.760 4.658 1.00 0.00 O ATOM 551 CB LEU A 37 -2.077 -7.571 2.142 1.00 0.00 C ATOM 552 CG LEU A 37 -2.409 -6.163 2.686 1.00 0.00 C ATOM 553 CD1 LEU A 37 -1.172 -5.249 2.701 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.493 -5.513 1.819 1.00 0.00 C ATOM 0 H LEU A 37 -3.629 -9.315 2.971 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.760 -9.117 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.278 -7.469 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.953 -7.943 1.611 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.761 -6.284 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.448 -4.269 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.403 -5.688 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.787 -5.141 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.723 -4.521 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.135 -5.427 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.393 -6.128 1.839 1.00 0.00 H new ATOM 566 N GLN A 38 -1.951 -8.150 5.587 1.00 0.00 N ATOM 567 CA GLN A 38 -1.530 -7.879 6.958 1.00 0.00 C ATOM 568 C GLN A 38 -0.604 -9.004 7.453 1.00 0.00 C ATOM 569 O GLN A 38 0.328 -8.738 8.211 1.00 0.00 O ATOM 570 CB GLN A 38 -2.771 -7.662 7.835 1.00 0.00 C ATOM 571 CG GLN A 38 -2.587 -7.672 9.359 1.00 0.00 C ATOM 572 CD GLN A 38 -3.927 -8.021 10.004 1.00 0.00 C ATOM 573 OE1 GLN A 38 -4.123 -9.137 10.477 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.890 -7.108 9.949 1.00 0.00 N ATOM 0 H GLN A 38 -2.944 -8.370 5.509 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.944 -6.962 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.212 -6.705 7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.498 -8.433 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.828 -8.400 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.241 -6.698 9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.699 -6.189 9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.821 -7.326 10.305 1.00 0.00 H new ATOM 583 N GLN A 39 -0.789 -10.250 6.997 1.00 0.00 N ATOM 584 CA GLN A 39 0.169 -11.307 7.271 1.00 0.00 C ATOM 585 C GLN A 39 1.459 -11.053 6.481 1.00 0.00 C ATOM 586 O GLN A 39 2.539 -11.317 6.998 1.00 0.00 O ATOM 587 CB GLN A 39 -0.388 -12.713 7.017 1.00 0.00 C ATOM 588 CG GLN A 39 -1.781 -12.990 7.606 1.00 0.00 C ATOM 589 CD GLN A 39 -2.053 -12.388 8.991 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.562 -12.873 10.002 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.866 -11.339 9.046 1.00 0.00 N ATOM 0 H GLN A 39 -1.592 -10.541 6.440 1.00 0.00 H new ATOM 0 HA GLN A 39 0.392 -11.278 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.428 -12.880 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.312 -13.441 7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.530 -12.609 6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.921 -14.069 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.261 -10.955 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.095 -10.918 9.946 1.00 0.00 H new ATOM 600 N LEU A 40 1.376 -10.473 5.272 1.00 0.00 N ATOM 601 CA LEU A 40 2.569 -9.988 4.563 1.00 0.00 C ATOM 602 C LEU A 40 3.266 -8.826 5.315 1.00 0.00 C ATOM 603 O LEU A 40 4.492 -8.702 5.274 1.00 0.00 O ATOM 604 CB LEU A 40 2.251 -9.630 3.099 1.00 0.00 C ATOM 605 CG LEU A 40 1.632 -10.783 2.278 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.279 -10.295 0.872 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.555 -12.003 2.155 1.00 0.00 C ATOM 0 H LEU A 40 0.500 -10.330 4.769 1.00 0.00 H new ATOM 0 HA LEU A 40 3.285 -10.810 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.565 -8.783 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.169 -9.305 2.610 1.00 0.00 H new ATOM 0 HG LEU A 40 0.739 -11.096 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.843 -11.115 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.560 -9.478 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.181 -9.944 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.060 -12.776 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.482 -11.710 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.779 -12.391 3.149 1.00 0.00 H new ATOM 619 N PHE A 41 2.512 -8.026 6.081 1.00 0.00 N ATOM 620 CA PHE A 41 3.023 -7.021 7.027 1.00 0.00 C ATOM 621 C PHE A 41 3.846 -7.710 8.113 1.00 0.00 C ATOM 622 O PHE A 41 4.972 -7.312 8.401 1.00 0.00 O ATOM 623 CB PHE A 41 1.853 -6.215 7.623 1.00 0.00 C ATOM 624 CG PHE A 41 1.926 -4.704 7.537 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.833 -3.987 8.337 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.026 -4.007 6.705 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.867 -2.582 8.277 1.00 0.00 C ATOM 628 CE2 PHE A 41 1.041 -2.603 6.666 1.00 0.00 C ATOM 629 CZ PHE A 41 1.971 -1.891 7.444 1.00 0.00 C ATOM 0 H PHE A 41 1.493 -8.061 6.059 1.00 0.00 H new ATOM 0 HA PHE A 41 3.674 -6.320 6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.937 -6.536 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.758 -6.487 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.504 -4.515 8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.322 -4.555 6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.583 -2.034 8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.340 -2.071 6.040 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.997 -0.812 7.401 1.00 0.00 H new ATOM 639 N LEU A 42 3.277 -8.764 8.704 1.00 0.00 N ATOM 640 CA LEU A 42 3.923 -9.574 9.731 1.00 0.00 C ATOM 641 C LEU A 42 5.093 -10.410 9.186 1.00 0.00 C ATOM 642 O LEU A 42 5.975 -10.776 9.959 1.00 0.00 O ATOM 643 CB LEU A 42 2.858 -10.470 10.383 1.00 0.00 C ATOM 644 CG LEU A 42 1.854 -9.704 11.273 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.698 -10.631 11.665 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.508 -9.153 12.549 1.00 0.00 C ATOM 0 H LEU A 42 2.335 -9.082 8.475 1.00 0.00 H new ATOM 0 HA LEU A 42 4.361 -8.906 10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.309 -10.993 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.356 -11.230 10.985 1.00 0.00 H new ATOM 0 HG LEU A 42 1.488 -8.858 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.008 -10.087 12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.190 -10.980 10.766 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.089 -11.487 12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.762 -8.623 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.916 -9.977 13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.311 -8.467 12.279 1.00 0.00 H new ATOM 658 N SER A 43 5.107 -10.701 7.881 1.00 0.00 N ATOM 659 CA SER A 43 6.205 -11.300 7.133 1.00 0.00 C ATOM 660 C SER A 43 7.369 -10.304 7.062 1.00 0.00 C ATOM 661 O SER A 43 8.290 -10.410 7.871 1.00 0.00 O ATOM 662 CB SER A 43 5.661 -11.746 5.766 1.00 0.00 C ATOM 663 OG SER A 43 6.616 -11.992 4.760 1.00 0.00 O ATOM 0 H SER A 43 4.300 -10.511 7.287 1.00 0.00 H new ATOM 0 HA SER A 43 6.607 -12.189 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.076 -12.654 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.975 -10.980 5.405 1.00 0.00 H new ATOM 0 HG SER A 43 6.610 -11.254 4.115 1.00 0.00 H new ATOM 669 N THR A 44 7.346 -9.346 6.120 1.00 0.00 N ATOM 670 CA THR A 44 8.407 -8.355 5.949 1.00 0.00 C ATOM 671 C THR A 44 7.937 -6.940 5.634 1.00 0.00 C ATOM 672 O THR A 44 8.757 -6.024 5.633 1.00 0.00 O ATOM 673 CB THR A 44 9.496 -8.800 4.943 1.00 0.00 C ATOM 674 OG1 THR A 44 9.121 -8.898 3.571 1.00 0.00 O ATOM 675 CG2 THR A 44 10.050 -10.169 5.311 1.00 0.00 C ATOM 0 H THR A 44 6.581 -9.242 5.453 1.00 0.00 H new ATOM 0 HA THR A 44 8.851 -8.305 6.943 1.00 0.00 H new ATOM 0 HB THR A 44 10.216 -7.986 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.345 -8.324 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.813 -10.459 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.490 -10.128 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.244 -10.903 5.301 1.00 0.00 H new ATOM 683 N LEU A 45 6.656 -6.768 5.320 1.00 0.00 N ATOM 684 CA LEU A 45 6.159 -5.535 4.720 1.00 0.00 C ATOM 685 C LEU A 45 6.015 -4.398 5.727 1.00 0.00 C ATOM 686 O LEU A 45 5.098 -4.397 6.540 1.00 0.00 O ATOM 687 CB LEU A 45 4.869 -5.812 3.927 1.00 0.00 C ATOM 688 CG LEU A 45 4.371 -4.626 3.086 1.00 0.00 C ATOM 689 CD1 LEU A 45 3.719 -5.167 1.815 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.318 -3.774 3.805 1.00 0.00 C ATOM 0 H LEU A 45 5.937 -7.475 5.473 1.00 0.00 H new ATOM 0 HA LEU A 45 6.910 -5.180 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.039 -6.663 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.083 -6.101 4.625 1.00 0.00 H new ATOM 0 HG LEU A 45 5.239 -3.999 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.361 -4.336 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.450 -5.742 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.880 -5.810 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.009 -2.954 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.453 -4.392 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.743 -3.370 4.724 1.00 0.00 H new ATOM 702 N SER A 46 6.894 -3.402 5.640 1.00 0.00 N ATOM 703 CA SER A 46 6.679 -2.073 6.170 1.00 0.00 C ATOM 704 C SER A 46 6.008 -1.241 5.063 1.00 0.00 C ATOM 705 O SER A 46 5.827 -1.686 3.924 1.00 0.00 O ATOM 706 CB SER A 46 8.008 -1.446 6.638 1.00 0.00 C ATOM 707 OG SER A 46 9.164 -2.205 6.343 1.00 0.00 O ATOM 0 H SER A 46 7.800 -3.509 5.184 1.00 0.00 H new ATOM 0 HA SER A 46 6.034 -2.105 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.110 -0.463 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.959 -1.290 7.716 1.00 0.00 H new ATOM 0 HG SER A 46 9.958 -1.636 6.423 1.00 0.00 H new ATOM 713 N PHE A 47 5.657 0.003 5.381 1.00 0.00 N ATOM 714 CA PHE A 47 5.044 0.937 4.450 1.00 0.00 C ATOM 715 C PHE A 47 5.819 2.245 4.450 1.00 0.00 C ATOM 716 O PHE A 47 6.392 2.650 5.466 1.00 0.00 O ATOM 717 CB PHE A 47 3.561 1.152 4.783 1.00 0.00 C ATOM 718 CG PHE A 47 2.639 0.700 3.668 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.455 1.498 2.521 1.00 0.00 C ATOM 720 CD2 PHE A 47 1.974 -0.534 3.769 1.00 0.00 C ATOM 721 CE1 PHE A 47 1.583 1.075 1.502 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.102 -0.958 2.753 1.00 0.00 C ATOM 723 CZ PHE A 47 0.906 -0.153 1.620 1.00 0.00 C ATOM 0 H PHE A 47 5.795 0.394 6.313 1.00 0.00 H new ATOM 0 HA PHE A 47 5.085 0.517 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.315 0.608 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.388 2.209 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.984 2.435 2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.135 -1.161 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.433 1.693 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.584 -1.901 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.235 -0.476 0.838 1.00 0.00 H new ATOM 733 N VAL A 48 5.823 2.880 3.277 1.00 0.00 N ATOM 734 CA VAL A 48 6.654 4.003 2.907 1.00 0.00 C ATOM 735 C VAL A 48 5.788 4.929 2.037 1.00 0.00 C ATOM 736 O VAL A 48 5.574 4.672 0.859 1.00 0.00 O ATOM 737 CB VAL A 48 7.971 3.439 2.307 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.825 4.329 1.401 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.920 3.057 3.453 1.00 0.00 C ATOM 0 H VAL A 48 5.202 2.597 2.519 1.00 0.00 H new ATOM 0 HA VAL A 48 6.996 4.636 3.726 1.00 0.00 H new ATOM 0 HB VAL A 48 7.591 2.632 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.705 3.776 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.241 4.630 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.138 5.215 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.847 2.660 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.139 3.940 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.448 2.300 4.079 1.00 0.00 H new ATOM 749 N CYS A 49 5.202 5.963 2.656 1.00 0.00 N ATOM 750 CA CYS A 49 4.250 6.908 2.051 1.00 0.00 C ATOM 751 C CYS A 49 4.812 7.546 0.765 1.00 0.00 C ATOM 752 O CYS A 49 6.013 7.801 0.705 1.00 0.00 O ATOM 753 CB CYS A 49 3.938 7.986 3.104 1.00 0.00 C ATOM 754 SG CYS A 49 5.370 8.699 3.983 1.00 0.00 S ATOM 0 H CYS A 49 5.386 6.174 3.637 1.00 0.00 H new ATOM 0 HA CYS A 49 3.343 6.379 1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.399 8.797 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.262 7.556 3.844 1.00 0.00 H new ATOM 759 N PRO A 50 3.987 7.904 -0.245 1.00 0.00 N ATOM 760 CA PRO A 50 4.499 8.402 -1.529 1.00 0.00 C ATOM 761 C PRO A 50 5.312 9.708 -1.415 1.00 0.00 C ATOM 762 O PRO A 50 6.213 9.963 -2.222 1.00 0.00 O ATOM 763 CB PRO A 50 3.276 8.545 -2.442 1.00 0.00 C ATOM 764 CG PRO A 50 2.098 8.643 -1.473 1.00 0.00 C ATOM 765 CD PRO A 50 2.535 7.760 -0.307 1.00 0.00 C ATOM 0 HA PRO A 50 5.223 7.699 -1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.350 9.432 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.174 7.689 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.921 9.671 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.173 8.285 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.067 8.077 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.248 6.721 -0.470 1.00 0.00 H new ATOM 773 N TRP A 51 5.048 10.505 -0.373 1.00 0.00 N ATOM 774 CA TRP A 51 5.858 11.655 0.002 1.00 0.00 C ATOM 775 C TRP A 51 7.312 11.238 0.246 1.00 0.00 C ATOM 776 O TRP A 51 8.221 11.796 -0.367 1.00 0.00 O ATOM 777 CB TRP A 51 5.250 12.327 1.242 1.00 0.00 C ATOM 778 CG TRP A 51 6.100 13.396 1.856 1.00 0.00 C ATOM 779 CD1 TRP A 51 6.456 14.556 1.259 1.00 0.00 C ATOM 780 CD2 TRP A 51 6.745 13.408 3.168 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.286 15.273 2.096 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.495 14.616 3.290 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.774 12.523 4.268 1.00 0.00 C ATOM 784 CZ2 TRP A 51 8.236 14.928 4.441 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.505 12.830 5.431 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.237 14.027 5.519 1.00 0.00 C ATOM 0 H TRP A 51 4.247 10.360 0.242 1.00 0.00 H new ATOM 0 HA TRP A 51 5.862 12.376 -0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.288 12.760 0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.054 11.562 1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.139 14.873 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.695 16.177 1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.226 11.594 4.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.798 15.849 4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.504 12.141 6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.799 14.253 6.413 1.00 0.00 H new ATOM 797 N CYS A 52 7.554 10.249 1.110 1.00 0.00 N ATOM 798 CA CYS A 52 8.908 9.768 1.364 1.00 0.00 C ATOM 799 C CYS A 52 9.390 8.817 0.290 1.00 0.00 C ATOM 800 O CYS A 52 10.593 8.590 0.155 1.00 0.00 O ATOM 801 CB CYS A 52 8.958 9.052 2.687 1.00 0.00 C ATOM 802 SG CYS A 52 8.356 7.360 2.758 1.00 0.00 S ATOM 0 H CYS A 52 6.829 9.768 1.643 1.00 0.00 H new ATOM 0 HA CYS A 52 9.559 10.643 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.994 9.052 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.387 9.639 3.406 1.00 0.00 H new ATOM 807 N ALA A 53 8.475 8.249 -0.493 1.00 0.00 N ATOM 808 CA ALA A 53 8.910 7.524 -1.652 1.00 0.00 C ATOM 809 C ALA A 53 9.656 8.471 -2.601 1.00 0.00 C ATOM 810 O ALA A 53 10.672 8.102 -3.184 1.00 0.00 O ATOM 811 CB ALA A 53 7.735 6.874 -2.372 1.00 0.00 C ATOM 0 H ALA A 53 7.467 8.281 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 53 9.582 6.729 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.098 6.332 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.234 6.180 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.032 7.644 -2.689 1.00 0.00 H new ATOM 817 N THR A 54 9.144 9.703 -2.699 1.00 0.00 N ATOM 818 CA THR A 54 9.702 10.810 -3.458 1.00 0.00 C ATOM 819 C THR A 54 10.959 11.376 -2.769 1.00 0.00 C ATOM 820 O THR A 54 11.998 11.498 -3.414 1.00 0.00 O ATOM 821 CB THR A 54 8.600 11.874 -3.657 1.00 0.00 C ATOM 822 OG1 THR A 54 7.405 11.285 -4.141 1.00 0.00 O ATOM 823 CG2 THR A 54 9.024 12.960 -4.649 1.00 0.00 C ATOM 0 H THR A 54 8.281 9.961 -2.221 1.00 0.00 H new ATOM 0 HA THR A 54 10.031 10.466 -4.439 1.00 0.00 H new ATOM 0 HB THR A 54 8.432 12.323 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.000 10.739 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.219 13.687 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.918 13.462 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.237 12.506 -5.617 1.00 0.00 H new ATOM 831 N ASN A 55 10.877 11.747 -1.481 1.00 0.00 N ATOM 832 CA ASN A 55 11.929 12.520 -0.793 1.00 0.00 C ATOM 833 C ASN A 55 13.037 11.660 -0.180 1.00 0.00 C ATOM 834 O ASN A 55 14.127 12.166 0.081 1.00 0.00 O ATOM 835 CB ASN A 55 11.320 13.389 0.321 1.00 0.00 C ATOM 836 CG ASN A 55 10.525 14.544 -0.261 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.025 15.651 -0.412 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.284 14.298 -0.641 1.00 0.00 N ATOM 0 H ASN A 55 10.080 11.521 -0.886 1.00 0.00 H new ATOM 0 HA ASN A 55 12.383 13.135 -1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.673 12.778 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.114 13.775 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.726 15.037 -1.068 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.884 13.369 -0.507 1.00 0.00 H new ATOM 845 N GLN A 56 12.748 10.377 0.039 1.00 0.00 N ATOM 846 CA GLN A 56 13.486 9.463 0.916 1.00 0.00 C ATOM 847 C GLN A 56 13.510 9.983 2.356 1.00 0.00 C ATOM 848 O GLN A 56 14.399 9.569 3.136 1.00 0.00 O ATOM 849 CB GLN A 56 14.851 9.095 0.297 1.00 0.00 C ATOM 850 CG GLN A 56 15.421 7.765 0.829 1.00 0.00 C ATOM 851 CD GLN A 56 16.431 7.129 -0.131 1.00 0.00 C ATOM 852 OE1 GLN A 56 16.179 7.022 -1.331 1.00 0.00 O ATOM 853 NE2 GLN A 56 17.554 6.636 0.375 1.00 0.00 N ATOM 0 H GLN A 56 11.954 9.923 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 56 12.964 8.509 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.746 9.030 -0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.563 9.895 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.901 7.939 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.602 7.067 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.750 6.732 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.222 6.161 -0.232 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 24.298 8.754 -0.948 1.00 0.00 N ATOM 864 CA GLY B 1 24.239 9.390 0.379 1.00 0.00 C ATOM 865 C GLY B 1 23.609 8.414 1.354 1.00 0.00 C ATOM 866 O GLY B 1 22.630 7.762 0.989 1.00 0.00 O ATOM 0 H1 GLY B 1 24.028 9.445 -1.677 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.266 8.419 -1.130 1.00 0.00 H new ATOM 0 H3 GLY B 1 23.642 7.948 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.240 9.665 0.712 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.655 10.309 0.333 1.00 0.00 H new ATOM 870 N SER B 2 24.172 8.273 2.561 1.00 0.00 N ATOM 871 CA SER B 2 24.028 7.067 3.383 1.00 0.00 C ATOM 872 C SER B 2 24.487 5.830 2.586 1.00 0.00 C ATOM 873 O SER B 2 25.250 5.957 1.621 1.00 0.00 O ATOM 874 CB SER B 2 22.601 6.962 3.965 1.00 0.00 C ATOM 875 OG SER B 2 21.680 6.522 2.986 1.00 0.00 O ATOM 0 H SER B 2 24.743 8.997 2.996 1.00 0.00 H new ATOM 0 HA SER B 2 24.683 7.127 4.252 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.599 6.270 4.807 1.00 0.00 H new ATOM 0 HB3 SER B 2 22.290 7.933 4.350 1.00 0.00 H new ATOM 0 HG SER B 2 21.682 7.146 2.231 1.00 0.00 H new ATOM 881 N HIS B 3 24.042 4.639 2.992 1.00 0.00 N ATOM 882 CA HIS B 3 24.135 3.403 2.218 1.00 0.00 C ATOM 883 C HIS B 3 22.737 2.797 1.992 1.00 0.00 C ATOM 884 O HIS B 3 22.652 1.636 1.604 1.00 0.00 O ATOM 885 CB HIS B 3 25.107 2.424 2.906 1.00 0.00 C ATOM 886 CG HIS B 3 26.557 2.858 2.937 1.00 0.00 C ATOM 887 ND1 HIS B 3 27.099 3.989 2.362 1.00 0.00 N ATOM 888 CD2 HIS B 3 27.584 2.162 3.516 1.00 0.00 C ATOM 889 CE1 HIS B 3 28.422 3.973 2.601 1.00 0.00 C ATOM 890 NE2 HIS B 3 28.763 2.881 3.301 1.00 0.00 N ATOM 0 H HIS B 3 23.593 4.506 3.898 1.00 0.00 H new ATOM 0 HA HIS B 3 24.541 3.621 1.230 1.00 0.00 H new ATOM 0 HB2 HIS B 3 24.771 2.266 3.931 1.00 0.00 H new ATOM 0 HB3 HIS B 3 25.045 1.461 2.399 1.00 0.00 H new ATOM 0 HD1 HIS B 3 26.588 4.707 1.848 1.00 0.00 H new ATOM 0 HD2 HIS B 3 27.498 1.224 4.045 1.00 0.00 H new ATOM 0 HE1 HIS B 3 29.115 4.735 2.274 1.00 0.00 H new ATOM 898 N MET B 4 21.654 3.556 2.239 1.00 0.00 N ATOM 899 CA MET B 4 20.278 3.085 2.088 1.00 0.00 C ATOM 900 C MET B 4 20.001 2.667 0.637 1.00 0.00 C ATOM 901 O MET B 4 19.893 3.524 -0.244 1.00 0.00 O ATOM 902 CB MET B 4 19.286 4.149 2.584 1.00 0.00 C ATOM 903 CG MET B 4 17.828 3.721 2.363 1.00 0.00 C ATOM 904 SD MET B 4 16.594 4.779 3.166 1.00 0.00 S ATOM 905 CE MET B 4 16.554 3.977 4.792 1.00 0.00 C ATOM 0 H MET B 4 21.718 4.525 2.553 1.00 0.00 H new ATOM 0 HA MET B 4 20.140 2.199 2.708 1.00 0.00 H new ATOM 0 HB2 MET B 4 19.453 4.334 3.645 1.00 0.00 H new ATOM 0 HB3 MET B 4 19.471 5.089 2.063 1.00 0.00 H new ATOM 0 HG2 MET B 4 17.628 3.703 1.292 1.00 0.00 H new ATOM 0 HG3 MET B 4 17.704 2.701 2.728 1.00 0.00 H new ATOM 0 HE1 MET B 4 15.842 4.494 5.435 1.00 0.00 H new ATOM 0 HE2 MET B 4 16.251 2.936 4.677 1.00 0.00 H new ATOM 0 HE3 MET B 4 17.546 4.018 5.242 1.00 0.00 H new ATOM 915 N ALA B 5 19.897 1.354 0.416 1.00 0.00 N ATOM 916 CA ALA B 5 19.636 0.662 -0.838 1.00 0.00 C ATOM 917 C ALA B 5 19.554 -0.825 -0.509 1.00 0.00 C ATOM 918 O ALA B 5 20.550 -1.449 -0.142 1.00 0.00 O ATOM 919 CB ALA B 5 20.753 0.894 -1.844 1.00 0.00 C ATOM 0 H ALA B 5 20.004 0.692 1.185 1.00 0.00 H new ATOM 0 HA ALA B 5 18.714 1.034 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA B 5 20.526 0.363 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.841 1.961 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.693 0.525 -1.435 1.00 0.00 H new ATOM 925 N GLU B 6 18.354 -1.385 -0.619 1.00 0.00 N ATOM 926 CA GLU B 6 18.002 -2.610 0.065 1.00 0.00 C ATOM 927 C GLU B 6 16.718 -3.184 -0.545 1.00 0.00 C ATOM 928 O GLU B 6 15.853 -2.412 -0.970 1.00 0.00 O ATOM 929 CB GLU B 6 17.822 -2.269 1.557 1.00 0.00 C ATOM 930 CG GLU B 6 17.067 -0.945 1.846 1.00 0.00 C ATOM 931 CD GLU B 6 17.728 -0.112 2.944 1.00 0.00 C ATOM 932 OE1 GLU B 6 18.909 0.248 2.735 1.00 0.00 O ATOM 933 OE2 GLU B 6 17.043 0.222 3.933 1.00 0.00 O ATOM 0 H GLU B 6 17.601 -0.996 -1.187 1.00 0.00 H new ATOM 0 HA GLU B 6 18.778 -3.368 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.285 -3.087 2.038 1.00 0.00 H new ATOM 0 HB3 GLU B 6 18.806 -2.216 2.022 1.00 0.00 H new ATOM 0 HG2 GLU B 6 17.015 -0.355 0.931 1.00 0.00 H new ATOM 0 HG3 GLU B 6 16.042 -1.173 2.137 1.00 0.00 H new ATOM 940 N PRO B 7 16.571 -4.521 -0.594 1.00 0.00 N ATOM 941 CA PRO B 7 15.536 -5.212 -1.358 1.00 0.00 C ATOM 942 C PRO B 7 14.192 -5.250 -0.610 1.00 0.00 C ATOM 943 O PRO B 7 13.533 -6.291 -0.571 1.00 0.00 O ATOM 944 CB PRO B 7 16.137 -6.599 -1.624 1.00 0.00 C ATOM 945 CG PRO B 7 16.922 -6.874 -0.344 1.00 0.00 C ATOM 946 CD PRO B 7 17.476 -5.493 0.007 1.00 0.00 C ATOM 0 HA PRO B 7 15.283 -4.705 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.365 -7.349 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.782 -6.599 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.284 -7.268 0.447 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.717 -7.602 -0.504 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.528 -5.359 1.087 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.488 -5.371 -0.379 1.00 0.00 H new ATOM 954 N GLN B 8 13.778 -4.119 -0.028 1.00 0.00 N ATOM 955 CA GLN B 8 12.509 -3.962 0.670 1.00 0.00 C ATOM 956 C GLN B 8 11.765 -2.741 0.125 1.00 0.00 C ATOM 957 O GLN B 8 10.678 -2.908 -0.413 1.00 0.00 O ATOM 958 CB GLN B 8 12.699 -3.920 2.201 1.00 0.00 C ATOM 959 CG GLN B 8 12.696 -5.303 2.884 1.00 0.00 C ATOM 960 CD GLN B 8 13.874 -6.208 2.515 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.012 -5.761 2.413 1.00 0.00 O ATOM 962 NE2 GLN B 8 13.648 -7.504 2.323 1.00 0.00 N ATOM 0 H GLN B 8 14.337 -3.266 -0.033 1.00 0.00 H new ATOM 0 HA GLN B 8 11.889 -4.838 0.479 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.642 -3.421 2.424 1.00 0.00 H new ATOM 0 HB3 GLN B 8 11.906 -3.312 2.636 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.693 -5.158 3.964 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.769 -5.816 2.628 1.00 0.00 H new ATOM 0 HE21 GLN B 8 12.702 -7.875 2.408 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.421 -8.128 2.091 1.00 0.00 H new ATOM 971 N ARG B 9 12.301 -1.521 0.269 1.00 0.00 N ATOM 972 CA ARG B 9 11.682 -0.271 -0.195 1.00 0.00 C ATOM 973 C ARG B 9 11.396 -0.300 -1.704 1.00 0.00 C ATOM 974 O ARG B 9 12.242 0.092 -2.509 1.00 0.00 O ATOM 975 CB ARG B 9 12.562 0.918 0.231 1.00 0.00 C ATOM 976 CG ARG B 9 11.867 2.281 0.093 1.00 0.00 C ATOM 977 CD ARG B 9 12.557 3.179 -0.940 1.00 0.00 C ATOM 978 NE ARG B 9 12.150 4.599 -0.841 1.00 0.00 N ATOM 979 CZ ARG B 9 12.909 5.636 -1.235 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.077 5.411 -1.838 1.00 0.00 N ATOM 981 NH2 ARG B 9 12.531 6.898 -1.027 1.00 0.00 N ATOM 0 H ARG B 9 13.202 -1.372 0.724 1.00 0.00 H new ATOM 0 HA ARG B 9 10.706 -0.154 0.277 1.00 0.00 H new ATOM 0 HB2 ARG B 9 12.868 0.779 1.268 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.470 0.921 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG B 9 10.827 2.129 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG B 9 11.859 2.783 1.061 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.637 3.107 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.330 2.811 -1.941 1.00 0.00 H new ATOM 0 HE ARG B 9 11.232 4.804 -0.447 1.00 0.00 H new ATOM 0 HH11 ARG B 9 14.392 4.454 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG B 9 14.655 6.196 -2.138 1.00 0.00 H new ATOM 0 HH21 ARG B 9 11.647 7.095 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG B 9 13.126 7.666 -1.336 1.00 0.00 H new ATOM 995 N HIS B 10 10.200 -0.750 -2.092 1.00 0.00 N ATOM 996 CA HIS B 10 9.831 -1.105 -3.454 1.00 0.00 C ATOM 997 C HIS B 10 8.569 -0.354 -3.877 1.00 0.00 C ATOM 998 O HIS B 10 7.905 0.276 -3.058 1.00 0.00 O ATOM 999 CB HIS B 10 9.602 -2.618 -3.538 1.00 0.00 C ATOM 1000 CG HIS B 10 10.814 -3.501 -3.358 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.803 -4.826 -2.985 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.121 -3.147 -3.539 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.070 -5.266 -3.014 1.00 0.00 C ATOM 1004 NE2 HIS B 10 12.913 -4.280 -3.352 1.00 0.00 N ATOM 0 H HIS B 10 9.433 -0.881 -1.432 1.00 0.00 H new ATOM 0 HA HIS B 10 10.638 -0.823 -4.130 1.00 0.00 H new ATOM 0 HB2 HIS B 10 8.866 -2.893 -2.782 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.160 -2.841 -4.509 1.00 0.00 H new ATOM 0 HD1 HIS B 10 9.981 -5.374 -2.732 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.480 -2.159 -3.785 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.371 -6.280 -2.794 1.00 0.00 H new ATOM 1012 N LYS B 11 8.246 -0.400 -5.175 1.00 0.00 N ATOM 1013 CA LYS B 11 7.268 0.478 -5.804 1.00 0.00 C ATOM 1014 C LYS B 11 6.436 -0.315 -6.806 1.00 0.00 C ATOM 1015 O LYS B 11 6.905 -0.604 -7.905 1.00 0.00 O ATOM 1016 CB LYS B 11 7.977 1.672 -6.467 1.00 0.00 C ATOM 1017 CG LYS B 11 8.561 2.670 -5.447 1.00 0.00 C ATOM 1018 CD LYS B 11 10.083 2.590 -5.242 1.00 0.00 C ATOM 1019 CE LYS B 11 10.897 3.082 -6.448 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.681 4.517 -6.743 1.00 0.00 N ATOM 0 H LYS B 11 8.668 -1.063 -5.825 1.00 0.00 H new ATOM 0 HA LYS B 11 6.592 0.878 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS B 11 8.780 1.302 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.271 2.193 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.307 3.681 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.073 2.508 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.354 3.181 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.358 1.557 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS B 11 11.957 2.911 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.630 2.492 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.462 4.872 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 9.783 4.635 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 10.646 5.053 -5.852 1.00 0.00 H new ATOM 1034 N ILE B 12 5.213 -0.680 -6.420 1.00 0.00 N ATOM 1035 CA ILE B 12 4.234 -1.297 -7.306 1.00 0.00 C ATOM 1036 C ILE B 12 3.441 -0.149 -7.935 1.00 0.00 C ATOM 1037 O ILE B 12 2.568 0.424 -7.295 1.00 0.00 O ATOM 1038 CB ILE B 12 3.308 -2.269 -6.537 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.070 -3.324 -5.708 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.339 -2.922 -7.544 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.140 -4.084 -4.753 1.00 0.00 C ATOM 0 H ILE B 12 4.872 -0.552 -5.467 1.00 0.00 H new ATOM 0 HA ILE B 12 4.725 -1.898 -8.071 1.00 0.00 H new ATOM 0 HB ILE B 12 2.749 -1.693 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.557 -4.031 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.858 -2.835 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.678 -3.611 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.744 -2.149 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.909 -3.468 -8.296 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.717 -4.817 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.673 -3.381 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.368 -4.595 -5.327 1.00 0.00 H new ATOM 1053 N LEU B 13 3.729 0.237 -9.174 1.00 0.00 N ATOM 1054 CA LEU B 13 2.922 1.216 -9.869 1.00 0.00 C ATOM 1055 C LEU B 13 1.556 0.612 -10.159 1.00 0.00 C ATOM 1056 O LEU B 13 1.438 -0.405 -10.840 1.00 0.00 O ATOM 1057 CB LEU B 13 3.622 1.734 -11.125 1.00 0.00 C ATOM 1058 CG LEU B 13 2.917 3.008 -11.640 1.00 0.00 C ATOM 1059 CD1 LEU B 13 3.969 3.963 -12.196 1.00 0.00 C ATOM 1060 CD2 LEU B 13 1.861 2.728 -12.717 1.00 0.00 C ATOM 0 H LEU B 13 4.519 -0.118 -9.713 1.00 0.00 H new ATOM 0 HA LEU B 13 2.781 2.092 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.667 1.952 -10.904 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.613 0.966 -11.899 1.00 0.00 H new ATOM 0 HG LEU B 13 2.389 3.448 -10.794 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.482 4.867 -12.563 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.675 4.225 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.502 3.480 -13.015 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.406 3.667 -13.033 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.333 2.247 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.092 2.071 -12.311 1.00 0.00 H new ATOM 1072 N CYS B 14 0.537 1.274 -9.628 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.869 0.995 -9.828 1.00 0.00 C ATOM 1074 C CYS B 14 -1.588 2.301 -10.211 1.00 0.00 C ATOM 1075 O CYS B 14 -0.959 3.349 -10.403 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.419 0.370 -8.536 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.888 -0.641 -8.871 1.00 0.00 S ATOM 0 H CYS B 14 0.685 2.070 -9.007 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.032 0.288 -10.641 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.649 -0.245 -8.070 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.671 1.158 -7.826 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.067 -1.483 -7.897 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.919 2.247 -10.295 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.772 3.418 -10.433 1.00 0.00 C ATOM 1085 C VAL B 15 -4.844 3.385 -9.346 1.00 0.00 C ATOM 1086 O VAL B 15 -5.155 2.328 -8.794 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.373 3.541 -11.850 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.284 3.881 -12.877 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.132 2.279 -12.289 1.00 0.00 C ATOM 0 H VAL B 15 -3.439 1.370 -10.268 1.00 0.00 H new ATOM 0 HA VAL B 15 -3.166 4.314 -10.300 1.00 0.00 H new ATOM 0 HB VAL B 15 -5.097 4.355 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.731 3.963 -13.868 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.816 4.829 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.531 3.093 -12.883 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.532 2.425 -13.293 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.452 1.427 -12.290 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.952 2.088 -11.596 1.00 0.00 H new ATOM 1099 N CYS B 16 -5.385 4.559 -9.022 1.00 0.00 N ATOM 1100 CA CYS B 16 -6.382 4.711 -7.985 1.00 0.00 C ATOM 1101 C CYS B 16 -7.726 4.172 -8.456 1.00 0.00 C ATOM 1102 O CYS B 16 -8.219 4.571 -9.510 1.00 0.00 O ATOM 1103 CB CYS B 16 -6.525 6.184 -7.617 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.421 6.220 -6.052 1.00 0.00 S ATOM 0 H CYS B 16 -5.135 5.435 -9.482 1.00 0.00 H new ATOM 0 HA CYS B 16 -6.062 4.146 -7.110 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.549 6.658 -7.519 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -7.067 6.729 -8.390 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.009 7.226 -5.339 1.00 0.00 H new ATOM 1109 N CYS B 17 -8.360 3.337 -7.635 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.600 2.665 -8.011 1.00 0.00 C ATOM 1111 C CYS B 17 -10.737 3.649 -8.317 1.00 0.00 C ATOM 1112 O CYS B 17 -11.551 3.394 -9.205 1.00 0.00 O ATOM 1113 CB CYS B 17 -10.015 1.723 -6.883 1.00 0.00 C ATOM 1114 SG CYS B 17 -11.146 0.458 -7.516 1.00 0.00 S ATOM 0 H CYS B 17 -8.031 3.109 -6.697 1.00 0.00 H new ATOM 0 HA CYS B 17 -9.412 2.107 -8.928 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -9.133 1.250 -6.450 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.498 2.288 -6.086 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.480 -0.347 -6.552 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.804 4.774 -7.589 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.968 5.648 -7.604 1.00 0.00 C ATOM 1122 C LYS B 18 -11.742 6.941 -8.387 1.00 0.00 C ATOM 1123 O LYS B 18 -12.708 7.658 -8.639 1.00 0.00 O ATOM 1124 CB LYS B 18 -12.427 5.868 -6.156 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.548 6.838 -5.335 1.00 0.00 C ATOM 1126 CD LYS B 18 -12.082 8.281 -5.278 1.00 0.00 C ATOM 1127 CE LYS B 18 -13.473 8.370 -4.649 1.00 0.00 C ATOM 1128 NZ LYS B 18 -14.093 9.694 -4.849 1.00 0.00 N ATOM 0 H LYS B 18 -10.052 5.095 -6.979 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.775 5.164 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -13.449 6.248 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.451 4.904 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.457 6.456 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.545 6.851 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.389 8.898 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.117 8.691 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.115 7.602 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.401 8.162 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.871 9.819 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.381 10.437 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.464 9.761 -5.818 1.00 0.00 H new ATOM 1142 N CYS B 19 -10.494 7.257 -8.759 1.00 0.00 N ATOM 1143 CA CYS B 19 -10.138 8.458 -9.486 1.00 0.00 C ATOM 1144 C CYS B 19 -9.088 8.243 -10.590 1.00 0.00 C ATOM 1145 O CYS B 19 -8.693 9.223 -11.214 1.00 0.00 O ATOM 1146 CB CYS B 19 -9.682 9.495 -8.461 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.247 9.098 -7.433 1.00 0.00 S ATOM 0 H CYS B 19 -9.692 6.662 -8.552 1.00 0.00 H new ATOM 0 HA CYS B 19 -11.016 8.805 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -9.464 10.420 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -10.522 9.700 -7.797 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.636 7.003 -10.837 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.685 6.606 -11.888 1.00 0.00 C ATOM 1154 C ASP B 20 -6.345 7.361 -11.842 1.00 0.00 C ATOM 1155 O ASP B 20 -5.615 7.432 -12.829 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.369 6.632 -13.267 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.607 5.824 -14.326 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.108 4.730 -13.975 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -7.597 6.277 -15.493 1.00 0.00 O ATOM 0 H ASP B 20 -8.941 6.206 -10.278 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.394 5.575 -11.687 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.380 6.236 -13.173 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.461 7.665 -13.602 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.992 7.932 -10.683 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.731 8.648 -10.541 1.00 0.00 C ATOM 1166 C GLY B 21 -3.575 7.660 -10.502 1.00 0.00 C ATOM 1167 O GLY B 21 -3.714 6.561 -9.973 1.00 0.00 O ATOM 0 H GLY B 21 -6.563 7.909 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.601 9.341 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.742 9.244 -9.628 1.00 0.00 H new ATOM 1171 N ARG B 22 -2.420 8.075 -11.019 1.00 0.00 N ATOM 1172 CA ARG B 22 -1.178 7.300 -11.032 1.00 0.00 C ATOM 1173 C ARG B 22 -0.683 7.151 -9.597 1.00 0.00 C ATOM 1174 O ARG B 22 -0.378 8.170 -8.975 1.00 0.00 O ATOM 1175 CB ARG B 22 -0.167 8.033 -11.938 1.00 0.00 C ATOM 1176 CG ARG B 22 1.215 7.374 -12.100 1.00 0.00 C ATOM 1177 CD ARG B 22 2.258 7.818 -11.059 1.00 0.00 C ATOM 1178 NE ARG B 22 3.614 7.413 -11.471 1.00 0.00 N ATOM 1179 CZ ARG B 22 4.712 7.407 -10.702 1.00 0.00 C ATOM 1180 NH1 ARG B 22 4.743 7.988 -9.507 1.00 0.00 N ATOM 1181 NH2 ARG B 22 5.815 6.779 -11.094 1.00 0.00 N ATOM 0 H ARG B 22 -2.318 8.991 -11.456 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.323 6.297 -11.433 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.611 8.141 -12.927 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.021 9.038 -11.543 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.097 6.292 -12.040 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.596 7.598 -13.096 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.218 8.900 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.021 7.379 -10.090 1.00 0.00 H new ATOM 0 HE ARG B 22 3.728 7.107 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.913 8.459 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.597 7.963 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.834 6.293 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.643 6.783 -10.498 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.565 5.920 -9.076 1.00 0.00 N ATOM 1196 CA ILE B 23 -0.040 5.700 -7.731 1.00 0.00 C ATOM 1197 C ILE B 23 1.129 4.723 -7.797 1.00 0.00 C ATOM 1198 O ILE B 23 0.971 3.546 -8.108 1.00 0.00 O ATOM 1199 CB ILE B 23 -1.083 5.213 -6.701 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.526 5.717 -6.890 1.00 0.00 C ATOM 1201 CG2 ILE B 23 -0.536 5.651 -5.323 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -3.493 5.030 -5.917 1.00 0.00 C ATOM 0 H ILE B 23 -0.827 5.067 -9.569 1.00 0.00 H new ATOM 0 HA ILE B 23 0.285 6.676 -7.371 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.190 4.135 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.559 6.796 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.846 5.531 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -1.227 5.338 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE B 23 0.437 5.189 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -0.431 6.736 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -4.502 5.409 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.478 3.954 -6.089 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -3.187 5.238 -4.892 1.00 0.00 H new ATOM 1214 N GLU B 24 2.315 5.218 -7.470 1.00 0.00 N ATOM 1215 CA GLU B 24 3.501 4.410 -7.270 1.00 0.00 C ATOM 1216 C GLU B 24 3.452 3.834 -5.851 1.00 0.00 C ATOM 1217 O GLU B 24 3.929 4.462 -4.898 1.00 0.00 O ATOM 1218 CB GLU B 24 4.685 5.316 -7.582 1.00 0.00 C ATOM 1219 CG GLU B 24 6.037 4.619 -7.532 1.00 0.00 C ATOM 1220 CD GLU B 24 7.180 5.519 -8.038 1.00 0.00 C ATOM 1221 OE1 GLU B 24 6.900 6.566 -8.678 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.349 5.131 -7.818 1.00 0.00 O ATOM 0 H GLU B 24 2.478 6.216 -7.334 1.00 0.00 H new ATOM 0 HA GLU B 24 3.583 3.541 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.547 5.746 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.690 6.145 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.247 4.311 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.998 3.712 -8.135 1.00 0.00 H new ATOM 1229 N LEU B 25 2.795 2.671 -5.706 1.00 0.00 N ATOM 1230 CA LEU B 25 2.464 2.088 -4.410 1.00 0.00 C ATOM 1231 C LEU B 25 3.759 1.660 -3.749 1.00 0.00 C ATOM 1232 O LEU B 25 4.326 0.613 -4.076 1.00 0.00 O ATOM 1233 CB LEU B 25 1.516 0.880 -4.484 1.00 0.00 C ATOM 1234 CG LEU B 25 0.200 1.059 -5.255 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.635 -0.222 -5.144 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.572 2.244 -4.694 1.00 0.00 C ATOM 0 H LEU B 25 2.479 2.110 -6.497 1.00 0.00 H new ATOM 0 HA LEU B 25 1.934 2.851 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.061 0.052 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.271 0.581 -3.465 1.00 0.00 H new ATOM 0 HG LEU B 25 0.417 1.252 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.569 -0.096 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.077 -1.058 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.853 -0.425 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.504 2.365 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.793 2.068 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.028 3.149 -4.793 1.00 0.00 H new ATOM 1248 N THR B 26 4.251 2.513 -2.861 1.00 0.00 N ATOM 1249 CA THR B 26 5.549 2.316 -2.273 1.00 0.00 C ATOM 1250 C THR B 26 5.355 1.502 -0.997 1.00 0.00 C ATOM 1251 O THR B 26 4.822 1.978 0.006 1.00 0.00 O ATOM 1252 CB THR B 26 6.283 3.648 -2.156 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.328 4.256 -3.442 1.00 0.00 O ATOM 1254 CG2 THR B 26 7.710 3.401 -1.650 1.00 0.00 C ATOM 0 H THR B 26 3.762 3.347 -2.538 1.00 0.00 H new ATOM 0 HA THR B 26 6.225 1.728 -2.894 1.00 0.00 H new ATOM 0 HB THR B 26 5.765 4.302 -1.455 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.415 4.405 -3.766 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.236 4.352 -1.566 1.00 0.00 H new ATOM 0 HG22 THR B 26 7.671 2.920 -0.673 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.238 2.755 -2.352 1.00 0.00 H new ATOM 1262 N VAL B 27 5.717 0.226 -1.092 1.00 0.00 N ATOM 1263 CA VAL B 27 5.563 -0.766 -0.041 1.00 0.00 C ATOM 1264 C VAL B 27 6.974 -1.278 0.234 1.00 0.00 C ATOM 1265 O VAL B 27 7.786 -1.412 -0.684 1.00 0.00 O ATOM 1266 CB VAL B 27 4.553 -1.863 -0.474 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.234 -1.256 -0.978 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.129 -2.750 -1.593 1.00 0.00 C ATOM 0 H VAL B 27 6.142 -0.157 -1.937 1.00 0.00 H new ATOM 0 HA VAL B 27 5.138 -0.364 0.878 1.00 0.00 H new ATOM 0 HB VAL B 27 4.362 -2.465 0.415 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.554 -2.056 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL B 27 2.778 -0.665 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.433 -0.616 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.396 -3.507 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.363 -2.134 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.037 -3.238 -1.239 1.00 0.00 H new ATOM 1278 N GLU B 28 7.307 -1.511 1.497 1.00 0.00 N ATOM 1279 CA GLU B 28 8.684 -1.708 1.902 1.00 0.00 C ATOM 1280 C GLU B 28 8.791 -3.180 2.296 1.00 0.00 C ATOM 1281 O GLU B 28 8.669 -3.516 3.468 1.00 0.00 O ATOM 1282 CB GLU B 28 9.012 -0.651 2.976 1.00 0.00 C ATOM 1283 CG GLU B 28 10.490 -0.257 3.083 1.00 0.00 C ATOM 1284 CD GLU B 28 10.881 0.171 4.501 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.718 -0.659 5.429 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.306 1.335 4.662 1.00 0.00 O ATOM 0 H GLU B 28 6.633 -1.568 2.261 1.00 0.00 H new ATOM 0 HA GLU B 28 9.442 -1.546 1.136 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.429 0.246 2.768 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.683 -1.028 3.944 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.110 -1.099 2.777 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.696 0.559 2.391 1.00 0.00 H new ATOM 1293 N SER B 29 8.912 -4.076 1.303 1.00 0.00 N ATOM 1294 CA SER B 29 8.906 -5.515 1.545 1.00 0.00 C ATOM 1295 C SER B 29 9.704 -6.269 0.497 1.00 0.00 C ATOM 1296 O SER B 29 9.830 -5.835 -0.649 1.00 0.00 O ATOM 1297 CB SER B 29 7.484 -6.085 1.541 1.00 0.00 C ATOM 1298 OG SER B 29 7.481 -7.232 2.372 1.00 0.00 O ATOM 0 H SER B 29 9.015 -3.820 0.321 1.00 0.00 H new ATOM 0 HA SER B 29 9.361 -5.649 2.526 1.00 0.00 H new ATOM 0 HB2 SER B 29 6.773 -5.344 1.908 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.178 -6.345 0.528 1.00 0.00 H new ATOM 0 HG SER B 29 6.610 -7.677 2.313 1.00 0.00 H new ATOM 1304 N SER B 30 10.172 -7.445 0.909 1.00 0.00 N ATOM 1305 CA SER B 30 10.936 -8.402 0.131 1.00 0.00 C ATOM 1306 C SER B 30 10.244 -8.671 -1.203 1.00 0.00 C ATOM 1307 O SER B 30 9.017 -8.749 -1.254 1.00 0.00 O ATOM 1308 CB SER B 30 11.075 -9.687 0.954 1.00 0.00 C ATOM 1309 OG SER B 30 11.402 -9.371 2.300 1.00 0.00 O ATOM 0 H SER B 30 10.013 -7.772 1.862 1.00 0.00 H new ATOM 0 HA SER B 30 11.927 -8.006 -0.091 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.143 -10.252 0.921 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.849 -10.322 0.523 1.00 0.00 H new ATOM 0 HG SER B 30 10.580 -9.298 2.828 1.00 0.00 H new ATOM 1315 N ALA B 31 11.014 -8.832 -2.283 1.00 0.00 N ATOM 1316 CA ALA B 31 10.468 -8.850 -3.638 1.00 0.00 C ATOM 1317 C ALA B 31 9.331 -9.866 -3.819 1.00 0.00 C ATOM 1318 O ALA B 31 8.346 -9.558 -4.484 1.00 0.00 O ATOM 1319 CB ALA B 31 11.595 -9.103 -4.643 1.00 0.00 C ATOM 0 H ALA B 31 12.026 -8.953 -2.241 1.00 0.00 H new ATOM 0 HA ALA B 31 10.024 -7.872 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.186 -9.116 -5.653 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.339 -8.310 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.064 -10.063 -4.429 1.00 0.00 H new ATOM 1325 N GLU B 32 9.425 -11.051 -3.208 1.00 0.00 N ATOM 1326 CA GLU B 32 8.411 -12.090 -3.344 1.00 0.00 C ATOM 1327 C GLU B 32 7.205 -11.881 -2.420 1.00 0.00 C ATOM 1328 O GLU B 32 6.095 -12.325 -2.721 1.00 0.00 O ATOM 1329 CB GLU B 32 9.037 -13.456 -3.080 1.00 0.00 C ATOM 1330 CG GLU B 32 10.058 -13.805 -4.175 1.00 0.00 C ATOM 1331 CD GLU B 32 10.377 -15.299 -4.202 1.00 0.00 C ATOM 1332 OE1 GLU B 32 11.178 -15.730 -3.345 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.815 -15.979 -5.091 1.00 0.00 O ATOM 0 H GLU B 32 10.207 -11.312 -2.607 1.00 0.00 H new ATOM 0 HA GLU B 32 8.035 -12.035 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.526 -13.455 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.258 -14.218 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU B 32 9.668 -13.500 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU B 32 10.976 -13.241 -4.009 1.00 0.00 H new ATOM 1340 N ASP B 33 7.399 -11.176 -1.309 1.00 0.00 N ATOM 1341 CA ASP B 33 6.348 -10.752 -0.403 1.00 0.00 C ATOM 1342 C ASP B 33 5.532 -9.636 -1.079 1.00 0.00 C ATOM 1343 O ASP B 33 4.302 -9.699 -1.149 1.00 0.00 O ATOM 1344 CB ASP B 33 7.025 -10.334 0.907 1.00 0.00 C ATOM 1345 CG ASP B 33 6.043 -9.923 1.989 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.676 -8.724 1.974 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.770 -10.770 2.872 1.00 0.00 O ATOM 0 H ASP B 33 8.327 -10.876 -1.009 1.00 0.00 H new ATOM 0 HA ASP B 33 5.635 -11.543 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.633 -11.161 1.273 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.703 -9.504 0.708 1.00 0.00 H new ATOM 1352 N LEU B 34 6.242 -8.701 -1.730 1.00 0.00 N ATOM 1353 CA LEU B 34 5.682 -7.693 -2.637 1.00 0.00 C ATOM 1354 C LEU B 34 4.884 -8.363 -3.751 1.00 0.00 C ATOM 1355 O LEU B 34 3.772 -7.964 -4.082 1.00 0.00 O ATOM 1356 CB LEU B 34 6.813 -6.798 -3.182 1.00 0.00 C ATOM 1357 CG LEU B 34 6.476 -6.030 -4.487 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.135 -4.654 -4.433 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.004 -6.716 -5.760 1.00 0.00 C ATOM 0 H LEU B 34 7.255 -8.626 -1.635 1.00 0.00 H new ATOM 0 HA LEU B 34 4.988 -7.053 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.085 -6.075 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.691 -7.418 -3.361 1.00 0.00 H new ATOM 0 HG LEU B 34 5.388 -5.987 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.905 -4.104 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.756 -4.103 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.215 -4.771 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.731 -6.123 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.089 -6.801 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.566 -7.710 -5.846 1.00 0.00 H new ATOM 1371 N ARG B 35 5.482 -9.392 -4.334 1.00 0.00 N ATOM 1372 CA ARG B 35 4.948 -10.154 -5.456 1.00 0.00 C ATOM 1373 C ARG B 35 3.665 -10.816 -5.012 1.00 0.00 C ATOM 1374 O ARG B 35 2.671 -10.737 -5.720 1.00 0.00 O ATOM 1375 CB ARG B 35 5.929 -11.215 -5.974 1.00 0.00 C ATOM 1376 CG ARG B 35 5.410 -11.835 -7.278 1.00 0.00 C ATOM 1377 CD ARG B 35 6.350 -12.898 -7.846 1.00 0.00 C ATOM 1378 NE ARG B 35 5.729 -13.534 -9.018 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.119 -14.667 -9.618 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.196 -15.332 -9.192 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.416 -15.132 -10.651 1.00 0.00 N ATOM 0 H ARG B 35 6.392 -9.734 -4.025 1.00 0.00 H new ATOM 0 HA ARG B 35 4.771 -9.464 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.907 -10.763 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.063 -11.993 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.432 -12.281 -7.098 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.270 -11.047 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.300 -12.444 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.568 -13.648 -7.086 1.00 0.00 H new ATOM 0 HE ARG B 35 4.916 -13.063 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.733 -14.979 -8.400 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.481 -16.193 -9.658 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.592 -14.626 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.702 -15.993 -11.116 1.00 0.00 H new ATOM 1395 N THR B 36 3.683 -11.463 -3.856 1.00 0.00 N ATOM 1396 CA THR B 36 2.508 -12.110 -3.297 1.00 0.00 C ATOM 1397 C THR B 36 1.373 -11.083 -3.175 1.00 0.00 C ATOM 1398 O THR B 36 0.272 -11.327 -3.673 1.00 0.00 O ATOM 1399 CB THR B 36 2.871 -12.796 -1.969 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.964 -13.677 -2.166 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.703 -13.628 -1.430 1.00 0.00 C ATOM 0 H THR B 36 4.518 -11.554 -3.277 1.00 0.00 H new ATOM 0 HA THR B 36 2.147 -12.899 -3.956 1.00 0.00 H new ATOM 0 HB THR B 36 3.120 -12.009 -1.257 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.803 -13.200 -1.997 1.00 0.00 H new ATOM 0 HG21 THR B 36 1.994 -14.099 -0.491 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.843 -12.980 -1.260 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.440 -14.398 -2.155 1.00 0.00 H new ATOM 1409 N LEU B 37 1.650 -9.895 -2.620 1.00 0.00 N ATOM 1410 CA LEU B 37 0.648 -8.832 -2.554 1.00 0.00 C ATOM 1411 C LEU B 37 0.254 -8.310 -3.948 1.00 0.00 C ATOM 1412 O LEU B 37 -0.904 -7.959 -4.161 1.00 0.00 O ATOM 1413 CB LEU B 37 1.072 -7.756 -1.540 1.00 0.00 C ATOM 1414 CG LEU B 37 1.504 -6.388 -2.099 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.320 -5.405 -2.136 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.568 -5.812 -1.176 1.00 0.00 C ATOM 0 H LEU B 37 2.553 -9.651 -2.214 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.285 -9.244 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.240 -7.593 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU B 37 1.897 -8.155 -0.950 1.00 0.00 H new ATOM 0 HG LEU B 37 1.880 -6.526 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.654 -4.447 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.468 -5.808 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.066 -5.262 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.890 -4.841 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.155 -5.694 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.422 -6.488 -1.139 1.00 0.00 H new ATOM 1428 N GLN B 38 1.159 -8.321 -4.932 1.00 0.00 N ATOM 1429 CA GLN B 38 0.837 -8.002 -6.315 1.00 0.00 C ATOM 1430 C GLN B 38 -0.114 -9.075 -6.873 1.00 0.00 C ATOM 1431 O GLN B 38 -0.998 -8.737 -7.655 1.00 0.00 O ATOM 1432 CB GLN B 38 2.141 -7.858 -7.116 1.00 0.00 C ATOM 1433 CG GLN B 38 2.024 -7.808 -8.647 1.00 0.00 C ATOM 1434 CD GLN B 38 3.337 -8.286 -9.260 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.442 -9.419 -9.725 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.383 -7.474 -9.191 1.00 0.00 N ATOM 0 H GLN B 38 2.141 -8.554 -4.784 1.00 0.00 H new ATOM 0 HA GLN B 38 0.314 -7.049 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.641 -6.948 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.792 -8.692 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.200 -8.438 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.803 -6.792 -8.975 1.00 0.00 H new ATOM 0 HE21 GLN B 38 4.277 -6.537 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.294 -7.786 -9.527 1.00 0.00 H new ATOM 1445 N GLN B 39 0.014 -10.346 -6.464 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.918 -11.394 -6.851 1.00 0.00 C ATOM 1447 C GLN B 39 -2.279 -11.165 -6.185 1.00 0.00 C ATOM 1448 O GLN B 39 -3.298 -11.450 -6.806 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.413 -12.815 -6.564 1.00 0.00 C ATOM 1450 CG GLN B 39 1.007 -13.150 -7.043 1.00 0.00 C ATOM 1451 CD GLN B 39 1.430 -12.531 -8.379 1.00 0.00 C ATOM 1452 OE1 GLN B 39 1.105 -13.025 -9.451 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.209 -11.461 -8.309 1.00 0.00 N ATOM 0 H GLN B 39 0.768 -10.667 -5.857 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.017 -11.326 -7.934 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.458 -12.981 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.103 -13.521 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.713 -12.828 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.096 -14.233 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.462 -11.073 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.555 -11.026 -9.164 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.323 -10.602 -4.966 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.579 -10.125 -4.387 1.00 0.00 C ATOM 1464 C LEU B 40 -4.204 -9.048 -5.278 1.00 0.00 C ATOM 1465 O LEU B 40 -5.395 -9.130 -5.564 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.429 -9.620 -2.943 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.744 -10.572 -1.944 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.688 -9.909 -0.563 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.400 -11.949 -1.835 1.00 0.00 C ATOM 0 H LEU B 40 -1.506 -10.469 -4.370 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.247 -10.985 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.865 -8.688 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.422 -9.383 -2.561 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.741 -10.752 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.203 -10.582 0.144 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.120 -8.981 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.700 -9.692 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.855 -12.555 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.434 -11.835 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.379 -12.440 -2.808 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.429 -8.062 -5.753 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.924 -7.059 -6.707 1.00 0.00 C ATOM 1483 C PHE B 41 -4.407 -7.708 -8.011 1.00 0.00 C ATOM 1484 O PHE B 41 -5.467 -7.355 -8.519 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.863 -5.981 -6.981 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.907 -4.811 -6.015 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.535 -4.982 -4.669 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -3.353 -3.550 -6.455 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.622 -3.911 -3.765 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.428 -2.474 -5.555 1.00 0.00 C ATOM 1491 CZ PHE B 41 -3.077 -2.660 -4.207 1.00 0.00 C ATOM 0 H PHE B 41 -2.451 -7.938 -5.490 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.784 -6.571 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.875 -6.439 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.995 -5.606 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -2.180 -5.944 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.638 -3.410 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -2.339 -4.050 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.755 -1.504 -5.899 1.00 0.00 H new ATOM 0 HZ PHE B 41 -3.158 -1.839 -3.510 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.647 -8.670 -8.540 1.00 0.00 N ATOM 1502 CA LEU B 42 -3.985 -9.438 -9.736 1.00 0.00 C ATOM 1503 C LEU B 42 -5.293 -10.220 -9.543 1.00 0.00 C ATOM 1504 O LEU B 42 -6.078 -10.330 -10.482 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.779 -10.340 -10.052 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.827 -11.117 -11.380 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.390 -11.340 -11.877 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.491 -12.494 -11.223 1.00 0.00 C ATOM 0 H LEU B 42 -2.752 -8.943 -8.134 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.173 -8.783 -10.586 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -1.882 -9.721 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.670 -11.059 -9.240 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.414 -10.528 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.412 -11.890 -12.818 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.905 -10.376 -12.031 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.833 -11.912 -11.135 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.502 -13.005 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.929 -13.089 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.514 -12.366 -10.869 1.00 0.00 H new ATOM 1520 N SER B 43 -5.521 -10.754 -8.339 1.00 0.00 N ATOM 1521 CA SER B 43 -6.721 -11.469 -7.929 1.00 0.00 C ATOM 1522 C SER B 43 -7.922 -10.530 -7.785 1.00 0.00 C ATOM 1523 O SER B 43 -8.935 -10.690 -8.464 1.00 0.00 O ATOM 1524 CB SER B 43 -6.406 -12.173 -6.591 1.00 0.00 C ATOM 1525 OG SER B 43 -7.549 -12.603 -5.878 1.00 0.00 O ATOM 0 H SER B 43 -4.833 -10.693 -7.588 1.00 0.00 H new ATOM 0 HA SER B 43 -6.995 -12.198 -8.692 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.769 -13.035 -6.788 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.834 -11.492 -5.961 1.00 0.00 H new ATOM 0 HG SER B 43 -8.003 -11.827 -5.489 1.00 0.00 H new ATOM 1531 N THR B 44 -7.809 -9.594 -6.844 1.00 0.00 N ATOM 1532 CA THR B 44 -8.913 -8.902 -6.220 1.00 0.00 C ATOM 1533 C THR B 44 -8.646 -7.438 -5.866 1.00 0.00 C ATOM 1534 O THR B 44 -9.569 -6.628 -5.903 1.00 0.00 O ATOM 1535 CB THR B 44 -9.298 -9.677 -4.929 1.00 0.00 C ATOM 1536 OG1 THR B 44 -8.250 -10.517 -4.441 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.493 -10.585 -5.196 1.00 0.00 C ATOM 0 H THR B 44 -6.903 -9.291 -6.487 1.00 0.00 H new ATOM 0 HA THR B 44 -9.718 -8.878 -6.954 1.00 0.00 H new ATOM 0 HB THR B 44 -9.519 -8.911 -4.186 1.00 0.00 H new ATOM 0 HG1 THR B 44 -8.408 -10.721 -3.496 1.00 0.00 H new ATOM 0 HG21 THR B 44 -10.753 -11.122 -4.284 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.343 -9.983 -5.517 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.239 -11.300 -5.978 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.419 -7.121 -5.456 1.00 0.00 N ATOM 1546 CA LEU B 45 -7.120 -5.920 -4.680 1.00 0.00 C ATOM 1547 C LEU B 45 -6.915 -4.645 -5.501 1.00 0.00 C ATOM 1548 O LEU B 45 -6.524 -4.688 -6.667 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.885 -6.204 -3.805 1.00 0.00 C ATOM 1550 CG LEU B 45 -6.189 -6.038 -2.321 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -7.202 -7.095 -1.875 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.906 -6.194 -1.500 1.00 0.00 C ATOM 0 H LEU B 45 -6.599 -7.695 -5.655 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.003 -5.711 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.533 -7.219 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -5.077 -5.529 -4.088 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.604 -5.043 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.414 -6.970 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.124 -6.979 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.790 -8.089 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.135 -6.074 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.484 -7.184 -1.670 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.185 -5.435 -1.804 1.00 0.00 H new ATOM 1564 N SER B 46 -7.098 -3.501 -4.835 1.00 0.00 N ATOM 1565 CA SER B 46 -6.961 -2.163 -5.382 1.00 0.00 C ATOM 1566 C SER B 46 -6.325 -1.232 -4.331 1.00 0.00 C ATOM 1567 O SER B 46 -6.026 -1.622 -3.197 1.00 0.00 O ATOM 1568 CB SER B 46 -8.342 -1.687 -5.882 1.00 0.00 C ATOM 1569 OG SER B 46 -9.415 -2.119 -5.064 1.00 0.00 O ATOM 0 H SER B 46 -7.359 -3.491 -3.849 1.00 0.00 H new ATOM 0 HA SER B 46 -6.288 -2.152 -6.240 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.347 -0.598 -5.931 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.499 -2.052 -6.897 1.00 0.00 H new ATOM 0 HG SER B 46 -10.189 -1.535 -5.205 1.00 0.00 H new ATOM 1575 N PHE B 47 -6.070 0.026 -4.704 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.531 1.033 -3.801 1.00 0.00 C ATOM 1577 C PHE B 47 -6.273 2.340 -4.030 1.00 0.00 C ATOM 1578 O PHE B 47 -6.810 2.591 -5.116 1.00 0.00 O ATOM 1579 CB PHE B 47 -4.021 1.203 -4.020 1.00 0.00 C ATOM 1580 CG PHE B 47 -3.261 1.785 -2.836 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -3.216 3.177 -2.621 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.530 0.937 -1.981 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -2.469 3.715 -1.558 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.746 1.479 -0.948 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.726 2.865 -0.723 1.00 0.00 C ATOM 0 H PHE B 47 -6.235 0.371 -5.650 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.673 0.717 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.593 0.231 -4.265 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.865 1.847 -4.885 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.761 3.837 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.572 -0.133 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.467 4.781 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.155 0.825 -0.323 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.142 3.275 0.088 1.00 0.00 H new ATOM 1595 N VAL B 48 -6.273 3.169 -2.988 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.994 4.409 -2.903 1.00 0.00 C ATOM 1597 C VAL B 48 -6.043 5.436 -2.259 1.00 0.00 C ATOM 1598 O VAL B 48 -5.764 5.394 -1.064 1.00 0.00 O ATOM 1599 CB VAL B 48 -8.363 4.091 -2.248 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.962 5.163 -1.360 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -9.399 3.790 -3.346 1.00 0.00 C ATOM 0 H VAL B 48 -5.738 2.971 -2.143 1.00 0.00 H new ATOM 0 HA VAL B 48 -7.277 4.890 -3.839 1.00 0.00 H new ATOM 0 HB VAL B 48 -8.144 3.244 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.917 4.817 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.282 5.373 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.118 6.072 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.362 3.566 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.501 4.658 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -9.069 2.933 -3.932 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.428 6.289 -3.093 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.332 7.190 -2.709 1.00 0.00 C ATOM 1613 C CYS B 49 -4.764 8.112 -1.560 1.00 0.00 C ATOM 1614 O CYS B 49 -5.916 8.543 -1.561 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.906 8.022 -3.931 1.00 0.00 C ATOM 1616 SG CYS B 49 -5.247 8.697 -4.958 1.00 0.00 S ATOM 0 H CYS B 49 -5.686 6.373 -4.076 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.487 6.595 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.292 8.852 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -3.272 7.401 -4.563 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.870 8.500 -0.622 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.276 9.242 0.576 1.00 0.00 C ATOM 1623 C PRO B 50 -4.996 10.567 0.272 1.00 0.00 C ATOM 1624 O PRO B 50 -5.889 10.969 1.025 1.00 0.00 O ATOM 1625 CB PRO B 50 -3.003 9.437 1.409 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.864 9.208 0.417 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.447 8.177 -0.546 1.00 0.00 C ATOM 0 HA PRO B 50 -5.025 8.676 1.129 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.959 10.437 1.841 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.957 8.730 2.237 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.586 10.128 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.967 8.836 0.912 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.974 8.240 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -2.291 7.162 -0.181 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.661 11.210 -0.855 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.361 12.375 -1.380 1.00 0.00 C ATOM 1637 C TRP B 51 -6.846 12.057 -1.578 1.00 0.00 C ATOM 1638 O TRP B 51 -7.699 12.671 -0.930 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.701 12.839 -2.690 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.545 13.754 -3.529 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -5.966 14.987 -3.169 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -6.145 13.496 -4.838 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.806 15.494 -4.140 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.957 14.614 -5.192 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -6.095 12.426 -5.758 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.692 14.661 -6.386 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -6.818 12.467 -6.966 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -7.620 13.578 -7.278 1.00 0.00 C ATOM 0 H TRP B 51 -3.874 10.921 -1.437 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.291 13.192 -0.662 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.767 13.347 -2.450 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.443 11.961 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -5.687 15.498 -2.259 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.259 16.406 -4.086 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -5.491 11.560 -5.531 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -8.306 15.519 -6.617 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -6.756 11.639 -7.657 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -8.180 13.599 -8.201 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.165 11.105 -2.462 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.551 10.773 -2.748 1.00 0.00 C ATOM 1661 C CYS B 52 -9.195 10.095 -1.550 1.00 0.00 C ATOM 1662 O CYS B 52 -10.397 10.220 -1.359 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.655 9.882 -3.981 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.522 8.101 -3.714 1.00 0.00 S ATOM 0 H CYS B 52 -6.481 10.558 -2.985 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.085 11.701 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.611 10.082 -4.465 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.875 10.179 -4.682 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.408 9.398 -0.726 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.929 8.729 0.441 1.00 0.00 C ATOM 1671 C ALA B 53 -9.500 9.746 1.431 1.00 0.00 C ATOM 1672 O ALA B 53 -10.516 9.469 2.071 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.825 7.928 1.127 1.00 0.00 C ATOM 0 H ALA B 53 -7.402 9.289 -0.858 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.723 8.055 0.120 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -8.231 7.428 2.006 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -7.432 7.183 0.435 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -7.022 8.600 1.430 1.00 0.00 H new ATOM 1679 N THR B 54 -8.823 10.897 1.542 1.00 0.00 N ATOM 1680 CA THR B 54 -9.201 12.036 2.365 1.00 0.00 C ATOM 1681 C THR B 54 -10.370 12.800 1.729 1.00 0.00 C ATOM 1682 O THR B 54 -11.345 13.093 2.415 1.00 0.00 O ATOM 1683 CB THR B 54 -7.968 12.944 2.556 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.872 12.193 3.041 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.231 14.079 3.551 1.00 0.00 C ATOM 0 H THR B 54 -7.955 11.059 1.032 1.00 0.00 H new ATOM 0 HA THR B 54 -9.540 11.690 3.341 1.00 0.00 H new ATOM 0 HB THR B 54 -7.747 13.371 1.577 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.311 11.910 2.289 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.334 14.690 3.651 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.053 14.697 3.189 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.494 13.658 4.522 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.276 13.136 0.433 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.296 13.936 -0.267 1.00 0.00 C ATOM 1695 C ASN B 55 -12.588 13.151 -0.501 1.00 0.00 C ATOM 1696 O ASN B 55 -13.661 13.743 -0.591 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.761 14.447 -1.614 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.776 15.589 -1.418 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.117 16.755 -1.551 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.539 15.282 -1.063 1.00 0.00 N ATOM 0 H ASN B 55 -9.492 12.862 -0.159 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.525 14.782 0.381 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.274 13.631 -2.148 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.592 14.783 -2.234 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.857 16.022 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.267 14.305 -0.955 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.460 11.825 -0.560 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.482 10.848 -0.906 1.00 0.00 C ATOM 1709 C GLN B 56 -14.040 11.111 -2.303 1.00 0.00 C ATOM 1710 O GLN B 56 -15.160 10.645 -2.611 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.505 10.765 0.245 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.290 9.450 0.271 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.960 9.230 1.622 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.443 8.483 2.452 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.096 9.867 1.872 1.00 0.00 N ATOM 0 H GLN B 56 -11.569 11.376 -0.350 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.067 9.844 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -13.983 10.886 1.194 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.206 11.596 0.158 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -16.046 9.460 -0.514 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.618 8.619 0.057 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.503 10.480 1.166 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.563 9.743 2.770 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.317 7.551 5.007 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -7.276 7.533 -5.780 1.00 0.00 ZN