USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ -143:sc= -0.0317 (180deg=-0.306) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 0.274 F(o=-1.5,f=-0.87) USER MOD Set 1.3: A 90 HIS :FLIP no HD1:sc= -1.11 F(o=-1.5,f=-0.87) USER MOD Set 2.1: A 22 GLN :FLIP amide:sc= -0.22 X(o=-1,f=-0.55) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -0.329 F(o=-3.3!,f=-0.55) USER MOD Set 3.1: A 7 SER OG : rot -2:sc= 0.996 USER MOD Set 3.2: A 10 GLN :FLIP amide:sc= 0.627 F(o=-1.1!,f=1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.754 (180deg=0.204!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.289 K(o=0.29,f=-8.2!) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.45 F(o=-5.3!,f=-1.4) USER MOD Single : A 23 SER OG : rot -79:sc= 0.842 USER MOD Single : A 27 ASN : amide:sc= -0.441 K(o=-0.44,f=-9.4!) USER MOD Single : A 28 MET CE :methyl 157:sc= -0.106 (180deg=-0.745) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -130:sc= -0.045 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 165:sc=-0.00265 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.609 (180deg=-0.68) USER MOD Single : A 51 THR OG1 : rot -68:sc= -1.11! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc=-0.00666 (180deg=-0.0987) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -126:sc= 1.02 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0826) USER MOD Single : A 79 SER OG : rot 89:sc= 0.00239 USER MOD Single : A 81 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.42) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= 2.33 (180deg=0.568) USER MOD Single : A 88 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.460 -4.022 -1.469 1.00 74.13 N ATOM 2 CA MET A 1 0.589 -5.018 -2.153 1.00 10.34 C ATOM 3 C MET A 1 1.080 -6.457 -1.913 1.00 53.32 C ATOM 4 O MET A 1 0.508 -7.187 -1.107 1.00 33.20 O ATOM 5 CB MET A 1 0.529 -4.726 -3.659 1.00 74.21 C ATOM 6 CG MET A 1 -0.180 -3.425 -4.004 1.00 4.13 C ATOM 7 SD MET A 1 0.588 -1.988 -3.228 1.00 50.45 S ATOM 8 CE MET A 1 -0.539 -0.691 -3.741 1.00 52.33 C ATOM 0 H1 MET A 1 1.391 -3.107 -1.958 1.00 74.13 H new ATOM 0 H2 MET A 1 1.152 -3.911 -0.482 1.00 74.13 H new ATOM 0 H3 MET A 1 2.446 -4.352 -1.489 1.00 74.13 H new ATOM 0 HA MET A 1 -0.412 -4.930 -1.730 1.00 10.34 H new ATOM 0 HB2 MET A 1 1.544 -4.691 -4.054 1.00 74.21 H new ATOM 0 HB3 MET A 1 0.020 -5.550 -4.159 1.00 74.21 H new ATOM 0 HG2 MET A 1 -0.181 -3.292 -5.086 1.00 4.13 H new ATOM 0 HG3 MET A 1 -1.222 -3.489 -3.690 1.00 4.13 H new ATOM 0 HE1 MET A 1 -0.201 0.264 -3.340 1.00 52.33 H new ATOM 0 HE2 MET A 1 -0.563 -0.640 -4.830 1.00 52.33 H new ATOM 0 HE3 MET A 1 -1.539 -0.908 -3.366 1.00 52.33 H new ATOM 20 N THR A 2 2.152 -6.851 -2.600 1.00 42.04 N ATOM 21 CA THR A 2 2.687 -8.219 -2.480 1.00 61.33 C ATOM 22 C THR A 2 3.862 -8.296 -1.494 1.00 0.14 C ATOM 23 O THR A 2 4.108 -9.342 -0.887 1.00 33.10 O ATOM 24 CB THR A 2 3.142 -8.779 -3.853 1.00 75.14 C ATOM 25 OG1 THR A 2 3.676 -10.103 -3.695 1.00 70.10 O ATOM 26 CG2 THR A 2 4.194 -7.882 -4.501 1.00 10.55 C ATOM 0 H THR A 2 2.669 -6.251 -3.243 1.00 42.04 H new ATOM 0 HA THR A 2 1.868 -8.828 -2.098 1.00 61.33 H new ATOM 0 HB THR A 2 2.268 -8.809 -4.503 1.00 75.14 H new ATOM 0 HG1 THR A 2 3.959 -10.448 -4.568 1.00 70.10 H new ATOM 0 HG21 THR A 2 4.490 -8.304 -5.461 1.00 10.55 H new ATOM 0 HG22 THR A 2 3.778 -6.886 -4.655 1.00 10.55 H new ATOM 0 HG23 THR A 2 5.066 -7.814 -3.850 1.00 10.55 H new ATOM 34 N ALA A 3 4.580 -7.186 -1.323 1.00 23.43 N ATOM 35 CA ALA A 3 5.749 -7.140 -0.432 1.00 61.12 C ATOM 36 C ALA A 3 5.361 -7.304 1.050 1.00 1.41 C ATOM 37 O ALA A 3 4.201 -7.120 1.426 1.00 3.40 O ATOM 38 CB ALA A 3 6.510 -5.837 -0.641 1.00 51.42 C ATOM 0 H ALA A 3 4.375 -6.302 -1.789 1.00 23.43 H new ATOM 0 HA ALA A 3 6.391 -7.982 -0.689 1.00 61.12 H new ATOM 0 HB1 ALA A 3 7.374 -5.810 0.022 1.00 51.42 H new ATOM 0 HB2 ALA A 3 6.845 -5.773 -1.676 1.00 51.42 H new ATOM 0 HB3 ALA A 3 5.856 -4.994 -0.419 1.00 51.42 H new ATOM 44 N ALA A 4 6.341 -7.643 1.887 1.00 43.24 N ATOM 45 CA ALA A 4 6.096 -7.884 3.315 1.00 74.02 C ATOM 46 C ALA A 4 7.184 -7.246 4.204 1.00 23.53 C ATOM 47 O ALA A 4 8.373 -7.280 3.868 1.00 54.10 O ATOM 48 CB ALA A 4 6.016 -9.385 3.576 1.00 33.12 C ATOM 0 H ALA A 4 7.314 -7.758 1.604 1.00 43.24 H new ATOM 0 HA ALA A 4 5.148 -7.414 3.575 1.00 74.02 H new ATOM 0 HB1 ALA A 4 5.834 -9.561 4.636 1.00 33.12 H new ATOM 0 HB2 ALA A 4 5.201 -9.813 2.992 1.00 33.12 H new ATOM 0 HB3 ALA A 4 6.956 -9.855 3.286 1.00 33.12 H new ATOM 54 N PRO A 5 6.791 -6.653 5.353 1.00 53.40 N ATOM 55 CA PRO A 5 7.741 -6.051 6.313 1.00 42.10 C ATOM 56 C PRO A 5 8.673 -7.088 6.969 1.00 12.22 C ATOM 57 O PRO A 5 8.257 -8.205 7.282 1.00 54.12 O ATOM 58 CB PRO A 5 6.830 -5.402 7.374 1.00 11.01 C ATOM 59 CG PRO A 5 5.478 -5.329 6.741 1.00 70.51 C ATOM 60 CD PRO A 5 5.397 -6.505 5.808 1.00 31.44 C ATOM 0 HA PRO A 5 8.411 -5.348 5.818 1.00 42.10 H new ATOM 0 HB2 PRO A 5 6.805 -5.996 8.288 1.00 11.01 H new ATOM 0 HB3 PRO A 5 7.190 -4.410 7.648 1.00 11.01 H new ATOM 0 HG2 PRO A 5 4.691 -5.373 7.494 1.00 70.51 H new ATOM 0 HG3 PRO A 5 5.350 -4.391 6.200 1.00 70.51 H new ATOM 0 HD2 PRO A 5 5.039 -7.401 6.316 1.00 31.44 H new ATOM 0 HD3 PRO A 5 4.717 -6.317 4.977 1.00 31.44 H new ATOM 68 N ALA A 6 9.934 -6.706 7.176 1.00 2.52 N ATOM 69 CA ALA A 6 10.931 -7.600 7.780 1.00 62.41 C ATOM 70 C ALA A 6 11.137 -7.313 9.278 1.00 62.23 C ATOM 71 O ALA A 6 10.750 -8.113 10.130 1.00 60.45 O ATOM 72 CB ALA A 6 12.256 -7.487 7.032 1.00 43.32 C ATOM 0 H ALA A 6 10.293 -5.782 6.935 1.00 2.52 H new ATOM 0 HA ALA A 6 10.552 -8.618 7.696 1.00 62.41 H new ATOM 0 HB1 ALA A 6 12.989 -8.153 7.487 1.00 43.32 H new ATOM 0 HB2 ALA A 6 12.110 -7.767 5.989 1.00 43.32 H new ATOM 0 HB3 ALA A 6 12.617 -6.460 7.085 1.00 43.32 H new ATOM 78 N SER A 7 11.757 -6.172 9.595 1.00 44.30 N ATOM 79 CA SER A 7 12.054 -5.807 10.992 1.00 63.22 C ATOM 80 C SER A 7 11.109 -4.707 11.517 1.00 60.04 C ATOM 81 O SER A 7 10.561 -3.918 10.740 1.00 12.24 O ATOM 82 CB SER A 7 13.513 -5.344 11.117 1.00 70.22 C ATOM 83 OG SER A 7 13.765 -4.194 10.324 1.00 14.43 O ATOM 0 H SER A 7 12.064 -5.484 8.908 1.00 44.30 H new ATOM 0 HA SER A 7 11.897 -6.697 11.602 1.00 63.22 H new ATOM 0 HB2 SER A 7 13.737 -5.124 12.161 1.00 70.22 H new ATOM 0 HB3 SER A 7 14.179 -6.151 10.811 1.00 70.22 H new ATOM 0 HG SER A 7 12.955 -3.957 9.825 1.00 14.43 H new ATOM 89 N PRO A 8 10.914 -4.647 12.858 1.00 42.42 N ATOM 90 CA PRO A 8 10.047 -3.646 13.526 1.00 14.15 C ATOM 91 C PRO A 8 10.244 -2.196 13.041 1.00 72.13 C ATOM 92 O PRO A 8 9.328 -1.376 13.130 1.00 22.43 O ATOM 93 CB PRO A 8 10.452 -3.777 14.998 1.00 60.23 C ATOM 94 CG PRO A 8 10.849 -5.205 15.143 1.00 24.43 C ATOM 95 CD PRO A 8 11.513 -5.580 13.842 1.00 3.43 C ATOM 0 HA PRO A 8 8.995 -3.840 13.315 1.00 14.15 H new ATOM 0 HB2 PRO A 8 11.276 -3.108 15.245 1.00 60.23 H new ATOM 0 HB3 PRO A 8 9.626 -3.524 15.662 1.00 60.23 H new ATOM 0 HG2 PRO A 8 11.531 -5.338 15.983 1.00 24.43 H new ATOM 0 HG3 PRO A 8 9.980 -5.835 15.335 1.00 24.43 H new ATOM 0 HD2 PRO A 8 12.595 -5.463 13.897 1.00 3.43 H new ATOM 0 HD3 PRO A 8 11.318 -6.619 13.578 1.00 3.43 H new ATOM 103 N GLN A 9 11.434 -1.880 12.529 1.00 52.04 N ATOM 104 CA GLN A 9 11.758 -0.511 12.097 1.00 52.02 C ATOM 105 C GLN A 9 10.807 -0.028 10.984 1.00 63.10 C ATOM 106 O GLN A 9 10.372 1.127 10.983 1.00 64.34 O ATOM 107 CB GLN A 9 13.217 -0.438 11.616 1.00 75.02 C ATOM 108 CG GLN A 9 14.227 -0.989 12.622 1.00 22.51 C ATOM 109 CD GLN A 9 14.213 -0.258 13.958 1.00 74.33 C ATOM 110 OE1 GLN A 9 13.918 0.929 14.033 1.00 30.13 O ATOM 111 NE2 GLN A 9 14.519 -0.967 15.025 1.00 5.50 N ATOM 0 H GLN A 9 12.192 -2.550 12.401 1.00 52.04 H new ATOM 0 HA GLN A 9 11.629 0.148 12.955 1.00 52.02 H new ATOM 0 HB2 GLN A 9 13.310 -0.992 10.682 1.00 75.02 H new ATOM 0 HB3 GLN A 9 13.466 0.600 11.397 1.00 75.02 H new ATOM 0 HG2 GLN A 9 14.019 -2.045 12.792 1.00 22.51 H new ATOM 0 HG3 GLN A 9 15.227 -0.926 12.193 1.00 22.51 H new ATOM 0 HE21 GLN A 9 14.760 -1.953 14.930 1.00 5.50 H new ATOM 0 HE22 GLN A 9 14.515 -0.530 15.946 1.00 5.50 H new ATOM 120 N GLN A 10 10.482 -0.915 10.043 1.00 11.32 N ATOM 121 CA GLN A 10 9.504 -0.595 8.993 1.00 1.31 C ATOM 122 C GLN A 10 8.087 -0.460 9.577 1.00 32.31 C ATOM 123 O GLN A 10 7.288 0.360 9.119 1.00 5.30 O ATOM 124 CB GLN A 10 9.514 -1.660 7.884 1.00 20.43 C ATOM 125 CG GLN A 10 10.763 -1.645 7.001 1.00 42.23 C ATOM 126 CD GLN A 10 12.031 -2.075 7.724 1.00 63.01 C ATOM 127 OE1 GLN A 10 11.910 -2.985 8.671 1.00 51.41 O flip ATOM 128 NE2 GLN A 10 13.120 -1.612 7.415 1.00 24.12 N flip ATOM 0 H GLN A 10 10.876 -1.854 9.983 1.00 11.32 H new ATOM 0 HA GLN A 10 9.794 0.362 8.560 1.00 1.31 H new ATOM 0 HB2 GLN A 10 9.420 -2.644 8.342 1.00 20.43 H new ATOM 0 HB3 GLN A 10 8.637 -1.517 7.253 1.00 20.43 H new ATOM 0 HG2 GLN A 10 10.601 -2.304 6.148 1.00 42.23 H new ATOM 0 HG3 GLN A 10 10.905 -0.639 6.605 1.00 42.23 H new ATOM 0 HE21 GLN A 10 13.185 -0.909 6.679 1.00 24.12 H new ATOM 0 HE22 GLN A 10 13.963 -1.929 7.894 1.00 24.12 H new ATOM 137 N ILE A 11 7.788 -1.269 10.595 1.00 41.20 N ATOM 138 CA ILE A 11 6.485 -1.222 11.268 1.00 11.12 C ATOM 139 C ILE A 11 6.264 0.140 11.947 1.00 73.21 C ATOM 140 O ILE A 11 5.170 0.696 11.889 1.00 61.33 O ATOM 141 CB ILE A 11 6.330 -2.367 12.319 1.00 61.34 C ATOM 142 CG1 ILE A 11 6.146 -3.738 11.629 1.00 53.54 C ATOM 143 CG2 ILE A 11 5.162 -2.091 13.269 1.00 74.13 C ATOM 144 CD1 ILE A 11 7.352 -4.216 10.842 1.00 71.12 C ATOM 0 H ILE A 11 8.430 -1.966 10.973 1.00 41.20 H new ATOM 0 HA ILE A 11 5.727 -1.364 10.498 1.00 11.12 H new ATOM 0 HB ILE A 11 7.249 -2.398 12.904 1.00 61.34 H new ATOM 0 HG12 ILE A 11 5.905 -4.483 12.388 1.00 53.54 H new ATOM 0 HG13 ILE A 11 5.290 -3.680 10.957 1.00 53.54 H new ATOM 0 HG21 ILE A 11 5.079 -2.905 13.989 1.00 74.13 H new ATOM 0 HG22 ILE A 11 5.337 -1.154 13.798 1.00 74.13 H new ATOM 0 HG23 ILE A 11 4.237 -2.017 12.697 1.00 74.13 H new ATOM 0 HD11 ILE A 11 7.133 -5.185 10.393 1.00 71.12 H new ATOM 0 HD12 ILE A 11 7.583 -3.496 10.057 1.00 71.12 H new ATOM 0 HD13 ILE A 11 8.208 -4.311 11.510 1.00 71.12 H new ATOM 156 N ARG A 12 7.312 0.679 12.577 1.00 43.23 N ATOM 157 CA ARG A 12 7.221 1.989 13.242 1.00 32.13 C ATOM 158 C ARG A 12 6.830 3.092 12.246 1.00 11.23 C ATOM 159 O ARG A 12 5.932 3.890 12.506 1.00 2.25 O ATOM 160 CB ARG A 12 8.559 2.352 13.909 1.00 4.13 C ATOM 161 CG ARG A 12 8.482 3.577 14.824 1.00 42.42 C ATOM 162 CD ARG A 12 9.851 3.961 15.385 1.00 22.24 C ATOM 163 NE ARG A 12 10.714 4.567 14.369 1.00 64.11 N ATOM 164 CZ ARG A 12 11.772 3.997 13.858 1.00 51.42 C ATOM 165 NH1 ARG A 12 12.125 2.807 14.227 1.00 10.22 N1+ ATOM 166 NH2 ARG A 12 12.477 4.626 12.979 1.00 71.30 N ATOM 0 H ARG A 12 8.228 0.235 12.642 1.00 43.23 H new ATOM 0 HA ARG A 12 6.446 1.916 14.005 1.00 32.13 H new ATOM 0 HB2 ARG A 12 8.908 1.498 14.490 1.00 4.13 H new ATOM 0 HB3 ARG A 12 9.303 2.536 13.134 1.00 4.13 H new ATOM 0 HG2 ARG A 12 8.069 4.419 14.268 1.00 42.42 H new ATOM 0 HG3 ARG A 12 7.798 3.372 15.647 1.00 42.42 H new ATOM 0 HD2 ARG A 12 9.720 4.659 16.212 1.00 22.24 H new ATOM 0 HD3 ARG A 12 10.338 3.074 15.791 1.00 22.24 H new ATOM 0 HE ARG A 12 10.472 5.500 14.037 1.00 64.11 H new ATOM 0 HH11 ARG A 12 11.575 2.305 14.924 1.00 10.22 H new ATOM 0 HH12 ARG A 12 12.953 2.372 13.821 1.00 10.22 H new ATOM 0 HH21 ARG A 12 12.207 5.565 12.686 1.00 71.30 H new ATOM 0 HH22 ARG A 12 13.304 4.184 12.578 1.00 71.30 H new ATOM 180 N ASP A 13 7.502 3.111 11.096 1.00 71.02 N ATOM 181 CA ASP A 13 7.227 4.101 10.047 1.00 54.31 C ATOM 182 C ASP A 13 5.800 3.944 9.488 1.00 4.22 C ATOM 183 O ASP A 13 5.068 4.925 9.320 1.00 33.21 O ATOM 184 CB ASP A 13 8.265 3.963 8.924 1.00 71.43 C ATOM 185 CG ASP A 13 8.050 4.967 7.805 1.00 54.13 C ATOM 186 OD1 ASP A 13 8.495 6.126 7.948 1.00 61.44 O ATOM 187 OD2 ASP A 13 7.426 4.605 6.784 1.00 71.23 O1- ATOM 0 H ASP A 13 8.244 2.451 10.863 1.00 71.02 H new ATOM 0 HA ASP A 13 7.299 5.097 10.484 1.00 54.31 H new ATOM 0 HB2 ASP A 13 9.264 4.095 9.339 1.00 71.43 H new ATOM 0 HB3 ASP A 13 8.221 2.954 8.515 1.00 71.43 H new ATOM 192 N ARG A 14 5.411 2.701 9.207 1.00 42.30 N ATOM 193 CA ARG A 14 4.073 2.401 8.686 1.00 63.12 C ATOM 194 C ARG A 14 2.981 2.712 9.728 1.00 53.20 C ATOM 195 O ARG A 14 1.876 3.121 9.380 1.00 11.44 O ATOM 196 CB ARG A 14 4.002 0.927 8.253 1.00 44.52 C ATOM 197 CG ARG A 14 2.710 0.528 7.535 1.00 32.32 C ATOM 198 CD ARG A 14 2.422 1.416 6.323 1.00 24.14 C ATOM 199 NE ARG A 14 1.607 0.730 5.317 1.00 40.03 N ATOM 200 CZ ARG A 14 0.320 0.900 5.144 1.00 31.24 C ATOM 201 NH1 ARG A 14 -0.359 1.708 5.892 1.00 61.52 N1+ ATOM 202 NH2 ARG A 14 -0.294 0.245 4.213 1.00 12.35 N ATOM 0 H ARG A 14 6.004 1.881 9.331 1.00 42.30 H new ATOM 0 HA ARG A 14 3.891 3.038 7.821 1.00 63.12 H new ATOM 0 HB2 ARG A 14 4.846 0.715 7.596 1.00 44.52 H new ATOM 0 HB3 ARG A 14 4.119 0.298 9.135 1.00 44.52 H new ATOM 0 HG2 ARG A 14 2.782 -0.511 7.213 1.00 32.32 H new ATOM 0 HG3 ARG A 14 1.875 0.588 8.233 1.00 32.32 H new ATOM 0 HD2 ARG A 14 1.908 2.320 6.650 1.00 24.14 H new ATOM 0 HD3 ARG A 14 3.364 1.730 5.873 1.00 24.14 H new ATOM 0 HE ARG A 14 2.080 0.067 4.702 1.00 40.03 H new ATOM 0 HH11 ARG A 14 0.107 2.229 6.635 1.00 61.52 H new ATOM 0 HH12 ARG A 14 -1.361 1.825 5.739 1.00 61.52 H new ATOM 0 HH21 ARG A 14 0.224 -0.401 3.617 1.00 12.35 H new ATOM 0 HH22 ARG A 14 -1.296 0.374 4.075 1.00 12.35 H new ATOM 216 N LEU A 15 3.293 2.513 11.001 1.00 21.24 N ATOM 217 CA LEU A 15 2.350 2.818 12.082 1.00 62.03 C ATOM 218 C LEU A 15 2.148 4.344 12.220 1.00 24.44 C ATOM 219 O LEU A 15 1.018 4.836 12.246 1.00 62.11 O ATOM 220 CB LEU A 15 2.865 2.214 13.404 1.00 52.42 C ATOM 221 CG LEU A 15 1.796 1.862 14.461 1.00 4.11 C ATOM 222 CD1 LEU A 15 2.428 1.092 15.618 1.00 70.30 C ATOM 223 CD2 LEU A 15 1.088 3.111 14.983 1.00 65.24 C ATOM 0 H LEU A 15 4.189 2.142 11.316 1.00 21.24 H new ATOM 0 HA LEU A 15 1.383 2.375 11.843 1.00 62.03 H new ATOM 0 HB2 LEU A 15 3.425 1.309 13.170 1.00 52.42 H new ATOM 0 HB3 LEU A 15 3.568 2.918 13.850 1.00 52.42 H new ATOM 0 HG LEU A 15 1.048 1.233 13.978 1.00 4.11 H new ATOM 0 HD11 LEU A 15 1.663 0.851 16.356 1.00 70.30 H new ATOM 0 HD12 LEU A 15 2.873 0.171 15.242 1.00 70.30 H new ATOM 0 HD13 LEU A 15 3.200 1.704 16.084 1.00 70.30 H new ATOM 0 HD21 LEU A 15 0.343 2.824 15.725 1.00 65.24 H new ATOM 0 HD22 LEU A 15 1.818 3.778 15.441 1.00 65.24 H new ATOM 0 HD23 LEU A 15 0.597 3.624 14.156 1.00 65.24 H new ATOM 235 N LEU A 16 3.257 5.082 12.268 1.00 34.40 N ATOM 236 CA LEU A 16 3.231 6.531 12.538 1.00 32.43 C ATOM 237 C LEU A 16 2.495 7.325 11.446 1.00 2.20 C ATOM 238 O LEU A 16 1.890 8.359 11.726 1.00 55.43 O ATOM 239 CB LEU A 16 4.661 7.071 12.699 1.00 34.24 C ATOM 240 CG LEU A 16 5.426 6.555 13.931 1.00 45.23 C ATOM 241 CD1 LEU A 16 6.852 7.105 13.957 1.00 3.51 C ATOM 242 CD2 LEU A 16 4.683 6.913 15.219 1.00 41.51 C ATOM 0 H LEU A 16 4.193 4.703 12.123 1.00 34.40 H new ATOM 0 HA LEU A 16 2.678 6.667 13.467 1.00 32.43 H new ATOM 0 HB2 LEU A 16 5.231 6.816 11.805 1.00 34.24 H new ATOM 0 HB3 LEU A 16 4.617 8.159 12.749 1.00 34.24 H new ATOM 0 HG LEU A 16 5.484 5.469 13.862 1.00 45.23 H new ATOM 0 HD11 LEU A 16 7.372 6.726 14.837 1.00 3.51 H new ATOM 0 HD12 LEU A 16 7.381 6.788 13.058 1.00 3.51 H new ATOM 0 HD13 LEU A 16 6.821 8.194 13.995 1.00 3.51 H new ATOM 0 HD21 LEU A 16 5.241 6.539 16.077 1.00 41.51 H new ATOM 0 HD22 LEU A 16 4.586 7.996 15.294 1.00 41.51 H new ATOM 0 HD23 LEU A 16 3.692 6.460 15.205 1.00 41.51 H new ATOM 254 N GLN A 17 2.550 6.850 10.203 1.00 0.43 N ATOM 255 CA GLN A 17 1.865 7.534 9.094 1.00 21.12 C ATOM 256 C GLN A 17 0.333 7.439 9.226 1.00 34.41 C ATOM 257 O GLN A 17 -0.398 8.240 8.646 1.00 40.24 O ATOM 258 CB GLN A 17 2.334 6.968 7.737 1.00 54.32 C ATOM 259 CG GLN A 17 2.042 5.484 7.527 1.00 21.31 C ATOM 260 CD GLN A 17 0.623 5.209 7.049 1.00 31.13 C ATOM 261 OE1 GLN A 17 0.051 4.109 7.492 1.00 22.34 O flip ATOM 262 NE2 GLN A 17 0.036 5.991 6.313 1.00 41.11 N flip ATOM 0 H GLN A 17 3.054 6.005 9.934 1.00 0.43 H new ATOM 0 HA GLN A 17 2.131 8.590 9.142 1.00 21.12 H new ATOM 0 HB2 GLN A 17 1.856 7.535 6.938 1.00 54.32 H new ATOM 0 HB3 GLN A 17 3.408 7.129 7.644 1.00 54.32 H new ATOM 0 HG2 GLN A 17 2.747 5.082 6.799 1.00 21.31 H new ATOM 0 HG3 GLN A 17 2.212 4.952 8.463 1.00 21.31 H new ATOM 0 HE21 GLN A 17 0.507 6.835 5.987 1.00 41.11 H new ATOM 0 HE22 GLN A 17 -0.924 5.799 6.026 1.00 41.11 H new ATOM 271 N ALA A 18 -0.141 6.468 10.005 1.00 22.34 N ATOM 272 CA ALA A 18 -1.581 6.235 10.179 1.00 20.51 C ATOM 273 C ALA A 18 -2.164 7.031 11.361 1.00 11.34 C ATOM 274 O ALA A 18 -3.376 7.247 11.443 1.00 51.12 O ATOM 275 CB ALA A 18 -1.833 4.746 10.373 1.00 32.33 C ATOM 0 H ALA A 18 0.452 5.825 10.530 1.00 22.34 H new ATOM 0 HA ALA A 18 -2.086 6.585 9.279 1.00 20.51 H new ATOM 0 HB1 ALA A 18 -2.901 4.572 10.502 1.00 32.33 H new ATOM 0 HB2 ALA A 18 -1.479 4.200 9.498 1.00 32.33 H new ATOM 0 HB3 ALA A 18 -1.299 4.399 11.258 1.00 32.33 H new ATOM 281 N ILE A 19 -1.299 7.464 12.275 1.00 4.13 N ATOM 282 CA ILE A 19 -1.731 8.186 13.481 1.00 5.15 C ATOM 283 C ILE A 19 -0.990 9.521 13.638 1.00 50.25 C ATOM 284 O ILE A 19 -0.025 9.804 12.925 1.00 12.34 O ATOM 285 CB ILE A 19 -1.508 7.340 14.764 1.00 32.45 C ATOM 286 CG1 ILE A 19 -0.007 7.053 14.968 1.00 65.21 C ATOM 287 CG2 ILE A 19 -2.311 6.037 14.701 1.00 24.12 C ATOM 288 CD1 ILE A 19 0.313 6.348 16.270 1.00 54.11 C ATOM 0 H ILE A 19 -0.290 7.329 12.208 1.00 4.13 H new ATOM 0 HA ILE A 19 -2.797 8.378 13.356 1.00 5.15 H new ATOM 0 HB ILE A 19 -1.864 7.913 15.620 1.00 32.45 H new ATOM 0 HG12 ILE A 19 0.352 6.444 14.139 1.00 65.21 H new ATOM 0 HG13 ILE A 19 0.541 7.995 14.932 1.00 65.21 H new ATOM 0 HG21 ILE A 19 -2.140 5.460 15.610 1.00 24.12 H new ATOM 0 HG22 ILE A 19 -3.373 6.268 14.612 1.00 24.12 H new ATOM 0 HG23 ILE A 19 -1.993 5.455 13.836 1.00 24.12 H new ATOM 0 HD11 ILE A 19 1.388 6.182 16.339 1.00 54.11 H new ATOM 0 HD12 ILE A 19 -0.013 6.965 17.107 1.00 54.11 H new ATOM 0 HD13 ILE A 19 -0.205 5.390 16.302 1.00 54.11 H new ATOM 300 N ASP A 20 -1.470 10.360 14.550 1.00 3.12 N ATOM 301 CA ASP A 20 -0.766 11.593 14.912 1.00 35.11 C ATOM 302 C ASP A 20 -0.024 11.420 16.251 1.00 75.31 C ATOM 303 O ASP A 20 -0.472 10.672 17.123 1.00 51.23 O ATOM 304 CB ASP A 20 -1.747 12.765 14.999 1.00 44.44 C ATOM 305 CG ASP A 20 -2.355 13.103 13.653 1.00 3.34 C ATOM 306 OD1 ASP A 20 -3.591 13.075 13.526 1.00 51.24 O ATOM 307 OD2 ASP A 20 -1.593 13.400 12.711 1.00 63.53 O1- ATOM 0 H ASP A 20 -2.344 10.212 15.054 1.00 3.12 H new ATOM 0 HA ASP A 20 -0.033 11.809 14.134 1.00 35.11 H new ATOM 0 HB2 ASP A 20 -2.542 12.520 15.704 1.00 44.44 H new ATOM 0 HB3 ASP A 20 -1.231 13.640 15.393 1.00 44.44 H new ATOM 312 N PRO A 21 1.106 12.136 16.445 1.00 61.43 N ATOM 313 CA PRO A 21 1.931 12.030 17.669 1.00 61.41 C ATOM 314 C PRO A 21 1.137 12.280 18.965 1.00 13.54 C ATOM 315 O PRO A 21 1.602 11.970 20.059 1.00 40.42 O ATOM 316 CB PRO A 21 3.016 13.110 17.474 1.00 14.02 C ATOM 317 CG PRO A 21 2.501 13.992 16.383 1.00 21.23 C ATOM 318 CD PRO A 21 1.681 13.103 15.493 1.00 34.11 C ATOM 0 HA PRO A 21 2.330 11.023 17.790 1.00 61.41 H new ATOM 0 HB2 PRO A 21 3.179 13.674 18.392 1.00 14.02 H new ATOM 0 HB3 PRO A 21 3.972 12.663 17.201 1.00 14.02 H new ATOM 0 HG2 PRO A 21 1.897 14.804 16.788 1.00 21.23 H new ATOM 0 HG3 PRO A 21 3.321 14.450 15.830 1.00 21.23 H new ATOM 0 HD2 PRO A 21 0.908 13.661 14.965 1.00 34.11 H new ATOM 0 HD3 PRO A 21 2.293 12.612 14.736 1.00 34.11 H new ATOM 326 N GLN A 22 -0.075 12.819 18.830 1.00 62.31 N ATOM 327 CA GLN A 22 -0.937 13.105 19.982 1.00 1.33 C ATOM 328 C GLN A 22 -1.698 11.842 20.445 1.00 20.44 C ATOM 329 O GLN A 22 -2.619 11.923 21.259 1.00 5.41 O ATOM 330 CB GLN A 22 -1.929 14.225 19.616 1.00 24.41 C ATOM 331 CG GLN A 22 -2.608 14.899 20.820 1.00 53.34 C ATOM 332 CD GLN A 22 -4.119 14.700 20.867 1.00 1.55 C ATOM 333 OE1 GLN A 22 -4.593 13.539 20.453 1.00 2.12 O flip ATOM 334 NE2 GLN A 22 -4.855 15.574 21.311 1.00 20.12 N flip ATOM 0 H GLN A 22 -0.486 13.068 17.930 1.00 62.31 H new ATOM 0 HA GLN A 22 -0.308 13.431 20.810 1.00 1.33 H new ATOM 0 HB2 GLN A 22 -1.401 14.986 19.041 1.00 24.41 H new ATOM 0 HB3 GLN A 22 -2.700 13.811 18.966 1.00 24.41 H new ATOM 0 HG2 GLN A 22 -2.171 14.507 21.738 1.00 53.34 H new ATOM 0 HG3 GLN A 22 -2.392 15.967 20.795 1.00 53.34 H new ATOM 0 HE21 GLN A 22 -4.462 16.462 21.624 1.00 20.12 H new ATOM 0 HE22 GLN A 22 -5.861 15.414 21.368 1.00 20.12 H new ATOM 343 N SER A 23 -1.301 10.682 19.918 1.00 24.24 N ATOM 344 CA SER A 23 -1.897 9.388 20.297 1.00 22.12 C ATOM 345 C SER A 23 -3.369 9.269 19.873 1.00 74.20 C ATOM 346 O SER A 23 -4.170 8.643 20.566 1.00 71.22 O ATOM 347 CB SER A 23 -1.773 9.156 21.815 1.00 31.23 C ATOM 348 OG SER A 23 -0.416 9.160 22.232 1.00 32.54 O ATOM 0 H SER A 23 -0.561 10.607 19.220 1.00 24.24 H new ATOM 0 HA SER A 23 -1.338 8.620 19.763 1.00 22.12 H new ATOM 0 HB2 SER A 23 -2.321 9.932 22.349 1.00 31.23 H new ATOM 0 HB3 SER A 23 -2.233 8.203 22.077 1.00 31.23 H new ATOM 0 HG SER A 23 -0.007 8.295 22.021 1.00 32.54 H new ATOM 354 N ASN A 24 -3.727 9.868 18.733 1.00 54.33 N ATOM 355 CA ASN A 24 -5.081 9.713 18.172 1.00 55.33 C ATOM 356 C ASN A 24 -5.050 8.917 16.855 1.00 2.41 C ATOM 357 O ASN A 24 -4.056 8.940 16.125 1.00 73.23 O ATOM 358 CB ASN A 24 -5.754 11.075 17.944 1.00 25.03 C ATOM 359 CG ASN A 24 -5.047 11.923 16.903 1.00 71.30 C ATOM 360 OD1 ASN A 24 -4.222 12.844 17.350 1.00 4.41 O flip ATOM 361 ND2 ASN A 24 -5.269 11.777 15.709 1.00 13.25 N flip ATOM 0 H ASN A 24 -3.107 10.461 18.181 1.00 54.33 H new ATOM 0 HA ASN A 24 -5.668 9.157 18.903 1.00 55.33 H new ATOM 0 HB2 ASN A 24 -6.787 10.916 17.633 1.00 25.03 H new ATOM 0 HB3 ASN A 24 -5.785 11.620 18.887 1.00 25.03 H new ATOM 0 HD21 ASN A 24 -5.915 11.053 15.395 1.00 13.25 H new ATOM 0 HD22 ASN A 24 -4.808 12.380 15.027 1.00 13.25 H new ATOM 368 N ILE A 25 -6.150 8.227 16.551 1.00 11.23 N ATOM 369 CA ILE A 25 -6.266 7.451 15.311 1.00 65.41 C ATOM 370 C ILE A 25 -6.730 8.344 14.147 1.00 44.30 C ATOM 371 O ILE A 25 -7.922 8.614 13.989 1.00 61.43 O ATOM 372 CB ILE A 25 -7.255 6.264 15.473 1.00 65.23 C ATOM 373 CG1 ILE A 25 -6.821 5.348 16.633 1.00 71.04 C ATOM 374 CG2 ILE A 25 -7.360 5.465 14.172 1.00 3.11 C ATOM 375 CD1 ILE A 25 -5.468 4.688 16.433 1.00 12.25 C ATOM 0 H ILE A 25 -6.977 8.188 17.147 1.00 11.23 H new ATOM 0 HA ILE A 25 -5.276 7.053 15.089 1.00 65.41 H new ATOM 0 HB ILE A 25 -8.238 6.672 15.706 1.00 65.23 H new ATOM 0 HG12 ILE A 25 -6.795 5.933 17.553 1.00 71.04 H new ATOM 0 HG13 ILE A 25 -7.574 4.572 16.770 1.00 71.04 H new ATOM 0 HG21 ILE A 25 -8.058 4.639 14.308 1.00 3.11 H new ATOM 0 HG22 ILE A 25 -7.718 6.115 13.374 1.00 3.11 H new ATOM 0 HG23 ILE A 25 -6.379 5.072 13.906 1.00 3.11 H new ATOM 0 HD11 ILE A 25 -5.238 4.061 17.294 1.00 12.25 H new ATOM 0 HD12 ILE A 25 -5.492 4.074 15.533 1.00 12.25 H new ATOM 0 HD13 ILE A 25 -4.701 5.455 16.328 1.00 12.25 H new ATOM 387 N ARG A 26 -5.779 8.810 13.344 1.00 51.20 N ATOM 388 CA ARG A 26 -6.084 9.692 12.212 1.00 43.11 C ATOM 389 C ARG A 26 -6.627 8.909 11.001 1.00 64.42 C ATOM 390 O ARG A 26 -7.544 9.363 10.315 1.00 45.55 O ATOM 391 CB ARG A 26 -4.825 10.485 11.824 1.00 21.30 C ATOM 392 CG ARG A 26 -4.955 11.299 10.538 1.00 72.12 C ATOM 393 CD ARG A 26 -3.749 12.212 10.315 1.00 12.32 C ATOM 394 NE ARG A 26 -2.489 11.573 10.702 1.00 22.14 N ATOM 395 CZ ARG A 26 -1.695 10.937 9.885 1.00 74.31 C ATOM 396 NH1 ARG A 26 -1.980 10.842 8.624 1.00 64.35 N1+ ATOM 397 NH2 ARG A 26 -0.607 10.401 10.332 1.00 0.33 N ATOM 0 H ARG A 26 -4.788 8.594 13.453 1.00 51.20 H new ATOM 0 HA ARG A 26 -6.868 10.382 12.522 1.00 43.11 H new ATOM 0 HB2 ARG A 26 -4.571 11.160 12.641 1.00 21.30 H new ATOM 0 HB3 ARG A 26 -3.993 9.789 11.715 1.00 21.30 H new ATOM 0 HG2 ARG A 26 -5.060 10.623 9.690 1.00 72.12 H new ATOM 0 HG3 ARG A 26 -5.863 11.901 10.580 1.00 72.12 H new ATOM 0 HD2 ARG A 26 -3.701 12.497 9.264 1.00 12.32 H new ATOM 0 HD3 ARG A 26 -3.880 13.130 10.889 1.00 12.32 H new ATOM 0 HE ARG A 26 -2.212 11.629 11.682 1.00 22.14 H new ATOM 0 HH11 ARG A 26 -2.833 11.267 8.260 1.00 64.35 H new ATOM 0 HH12 ARG A 26 -1.351 10.342 7.995 1.00 64.35 H new ATOM 0 HH21 ARG A 26 -0.371 10.476 11.321 1.00 0.33 H new ATOM 0 HH22 ARG A 26 0.015 9.903 9.695 1.00 0.33 H new ATOM 411 N ASN A 27 -6.059 7.733 10.745 1.00 75.15 N ATOM 412 CA ASN A 27 -6.462 6.906 9.600 1.00 74.13 C ATOM 413 C ASN A 27 -6.785 5.469 10.045 1.00 31.22 C ATOM 414 O ASN A 27 -5.883 4.681 10.327 1.00 63.33 O ATOM 415 CB ASN A 27 -5.340 6.913 8.555 1.00 14.22 C ATOM 416 CG ASN A 27 -5.740 6.275 7.237 1.00 50.30 C ATOM 417 OD1 ASN A 27 -6.522 5.334 7.193 1.00 74.22 O ATOM 418 ND2 ASN A 27 -5.205 6.787 6.149 1.00 24.54 N ATOM 0 H ASN A 27 -5.316 7.327 11.314 1.00 75.15 H new ATOM 0 HA ASN A 27 -7.368 7.323 9.159 1.00 74.13 H new ATOM 0 HB2 ASN A 27 -5.030 7.942 8.373 1.00 14.22 H new ATOM 0 HB3 ASN A 27 -4.475 6.386 8.958 1.00 14.22 H new ATOM 0 HD21 ASN A 27 -5.439 6.400 5.235 1.00 24.54 H new ATOM 0 HD22 ASN A 27 -4.557 7.571 6.220 1.00 24.54 H new ATOM 425 N MET A 28 -8.075 5.133 10.088 1.00 14.55 N ATOM 426 CA MET A 28 -8.527 3.835 10.605 1.00 63.24 C ATOM 427 C MET A 28 -8.013 2.661 9.756 1.00 41.31 C ATOM 428 O MET A 28 -7.421 1.718 10.283 1.00 72.02 O ATOM 429 CB MET A 28 -10.062 3.793 10.674 1.00 11.05 C ATOM 430 CG MET A 28 -10.618 2.503 11.271 1.00 41.04 C ATOM 431 SD MET A 28 -12.421 2.428 11.220 1.00 44.43 S ATOM 432 CE MET A 28 -12.712 2.415 9.451 1.00 3.12 C ATOM 0 H MET A 28 -8.829 5.742 9.771 1.00 14.55 H new ATOM 0 HA MET A 28 -8.111 3.727 11.607 1.00 63.24 H new ATOM 0 HB2 MET A 28 -10.413 4.637 11.267 1.00 11.05 H new ATOM 0 HB3 MET A 28 -10.465 3.920 9.669 1.00 11.05 H new ATOM 0 HG2 MET A 28 -10.208 1.651 10.729 1.00 41.04 H new ATOM 0 HG3 MET A 28 -10.284 2.413 12.305 1.00 41.04 H new ATOM 0 HE1 MET A 28 -13.687 1.973 9.246 1.00 3.12 H new ATOM 0 HE2 MET A 28 -12.690 3.436 9.071 1.00 3.12 H new ATOM 0 HE3 MET A 28 -11.936 1.828 8.959 1.00 3.12 H new ATOM 442 N VAL A 29 -8.240 2.721 8.444 1.00 1.52 N ATOM 443 CA VAL A 29 -7.851 1.626 7.548 1.00 32.31 C ATOM 444 C VAL A 29 -6.325 1.408 7.544 1.00 64.12 C ATOM 445 O VAL A 29 -5.857 0.271 7.626 1.00 32.54 O ATOM 446 CB VAL A 29 -8.366 1.849 6.097 1.00 43.42 C ATOM 447 CG1 VAL A 29 -7.802 3.136 5.494 1.00 35.30 C ATOM 448 CG2 VAL A 29 -8.042 0.644 5.211 1.00 75.01 C ATOM 0 H VAL A 29 -8.688 3.510 7.978 1.00 1.52 H new ATOM 0 HA VAL A 29 -8.325 0.726 7.939 1.00 32.31 H new ATOM 0 HB VAL A 29 -9.450 1.955 6.145 1.00 43.42 H new ATOM 0 HG11 VAL A 29 -8.183 3.260 4.480 1.00 35.30 H new ATOM 0 HG12 VAL A 29 -8.107 3.987 6.103 1.00 35.30 H new ATOM 0 HG13 VAL A 29 -6.714 3.080 5.469 1.00 35.30 H new ATOM 0 HG21 VAL A 29 -8.412 0.824 4.202 1.00 75.01 H new ATOM 0 HG22 VAL A 29 -6.963 0.495 5.180 1.00 75.01 H new ATOM 0 HG23 VAL A 29 -8.520 -0.247 5.619 1.00 75.01 H new ATOM 458 N ALA A 30 -5.554 2.501 7.479 1.00 35.13 N ATOM 459 CA ALA A 30 -4.086 2.417 7.508 1.00 13.44 C ATOM 460 C ALA A 30 -3.587 1.800 8.822 1.00 33.41 C ATOM 461 O ALA A 30 -2.593 1.066 8.845 1.00 0.41 O ATOM 462 CB ALA A 30 -3.465 3.794 7.291 1.00 53.31 C ATOM 0 H ALA A 30 -5.919 3.451 7.406 1.00 35.13 H new ATOM 0 HA ALA A 30 -3.774 1.763 6.694 1.00 13.44 H new ATOM 0 HB1 ALA A 30 -2.378 3.711 7.316 1.00 53.31 H new ATOM 0 HB2 ALA A 30 -3.777 4.185 6.323 1.00 53.31 H new ATOM 0 HB3 ALA A 30 -3.795 4.470 8.079 1.00 53.31 H new ATOM 468 N VAL A 31 -4.280 2.107 9.915 1.00 70.34 N ATOM 469 CA VAL A 31 -4.008 1.474 11.207 1.00 13.21 C ATOM 470 C VAL A 31 -4.283 -0.039 11.138 1.00 72.51 C ATOM 471 O VAL A 31 -3.440 -0.853 11.511 1.00 41.21 O ATOM 472 CB VAL A 31 -4.855 2.125 12.339 1.00 24.53 C ATOM 473 CG1 VAL A 31 -4.867 1.268 13.598 1.00 42.11 C ATOM 474 CG2 VAL A 31 -4.330 3.522 12.662 1.00 55.52 C ATOM 0 H VAL A 31 -5.036 2.791 9.934 1.00 70.34 H new ATOM 0 HA VAL A 31 -2.954 1.627 11.439 1.00 13.21 H new ATOM 0 HB VAL A 31 -5.880 2.202 11.977 1.00 24.53 H new ATOM 0 HG11 VAL A 31 -5.468 1.756 14.365 1.00 42.11 H new ATOM 0 HG12 VAL A 31 -5.294 0.291 13.369 1.00 42.11 H new ATOM 0 HG13 VAL A 31 -3.847 1.142 13.962 1.00 42.11 H new ATOM 0 HG21 VAL A 31 -4.933 3.963 13.455 1.00 55.52 H new ATOM 0 HG22 VAL A 31 -3.293 3.454 12.990 1.00 55.52 H new ATOM 0 HG23 VAL A 31 -4.389 4.148 11.771 1.00 55.52 H new ATOM 484 N LEU A 32 -5.452 -0.412 10.624 1.00 75.42 N ATOM 485 CA LEU A 32 -5.825 -1.827 10.497 1.00 0.35 C ATOM 486 C LEU A 32 -4.794 -2.619 9.674 1.00 32.01 C ATOM 487 O LEU A 32 -4.557 -3.800 9.935 1.00 2.12 O ATOM 488 CB LEU A 32 -7.218 -1.954 9.866 1.00 44.12 C ATOM 489 CG LEU A 32 -8.360 -1.329 10.685 1.00 34.53 C ATOM 490 CD1 LEU A 32 -9.688 -1.450 9.948 1.00 20.03 C ATOM 491 CD2 LEU A 32 -8.450 -1.972 12.069 1.00 12.25 C ATOM 0 H LEU A 32 -6.160 0.241 10.288 1.00 75.42 H new ATOM 0 HA LEU A 32 -5.844 -2.254 11.500 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -7.199 -1.487 8.881 1.00 44.12 H new ATOM 0 HB3 LEU A 32 -7.436 -3.011 9.713 1.00 44.12 H new ATOM 0 HG LEU A 32 -8.140 -0.269 10.815 1.00 34.53 H new ATOM 0 HD11 LEU A 32 -10.479 -1.001 10.548 1.00 20.03 H new ATOM 0 HD12 LEU A 32 -9.621 -0.934 8.990 1.00 20.03 H new ATOM 0 HD13 LEU A 32 -9.915 -2.502 9.778 1.00 20.03 H new ATOM 0 HD21 LEU A 32 -9.264 -1.514 12.631 1.00 12.25 H new ATOM 0 HD22 LEU A 32 -8.638 -3.040 11.962 1.00 12.25 H new ATOM 0 HD23 LEU A 32 -7.512 -1.820 12.602 1.00 12.25 H new ATOM 503 N GLU A 33 -4.177 -1.960 8.689 1.00 52.23 N ATOM 504 CA GLU A 33 -3.129 -2.589 7.872 1.00 34.35 C ATOM 505 C GLU A 33 -1.909 -2.988 8.724 1.00 3.24 C ATOM 506 O GLU A 33 -1.420 -4.118 8.639 1.00 65.32 O ATOM 507 CB GLU A 33 -2.676 -1.643 6.747 1.00 40.14 C ATOM 508 CG GLU A 33 -3.787 -1.245 5.778 1.00 74.14 C ATOM 509 CD GLU A 33 -3.296 -0.319 4.673 1.00 64.14 C ATOM 510 OE1 GLU A 33 -3.284 -0.735 3.494 1.00 71.53 O ATOM 511 OE2 GLU A 33 -2.899 0.827 4.977 1.00 22.41 O1- ATOM 0 H GLU A 33 -4.383 -0.993 8.436 1.00 52.23 H new ATOM 0 HA GLU A 33 -3.559 -3.491 7.438 1.00 34.35 H new ATOM 0 HB2 GLU A 33 -2.258 -0.741 7.193 1.00 40.14 H new ATOM 0 HB3 GLU A 33 -1.874 -2.122 6.186 1.00 40.14 H new ATOM 0 HG2 GLU A 33 -4.214 -2.143 5.332 1.00 74.14 H new ATOM 0 HG3 GLU A 33 -4.587 -0.753 6.331 1.00 74.14 H new ATOM 518 N VAL A 34 -1.427 -2.066 9.561 1.00 22.13 N ATOM 519 CA VAL A 34 -0.244 -2.334 10.390 1.00 22.52 C ATOM 520 C VAL A 34 -0.570 -3.287 11.555 1.00 32.34 C ATOM 521 O VAL A 34 0.265 -4.100 11.948 1.00 3.33 O ATOM 522 CB VAL A 34 0.409 -1.024 10.918 1.00 55.44 C ATOM 523 CG1 VAL A 34 -0.539 -0.242 11.825 1.00 75.51 C ATOM 524 CG2 VAL A 34 1.730 -1.322 11.633 1.00 2.31 C ATOM 0 H VAL A 34 -1.830 -1.137 9.684 1.00 22.13 H new ATOM 0 HA VAL A 34 0.482 -2.827 9.744 1.00 22.52 H new ATOM 0 HB VAL A 34 0.622 -0.395 10.053 1.00 55.44 H new ATOM 0 HG11 VAL A 34 -0.045 0.665 12.172 1.00 75.51 H new ATOM 0 HG12 VAL A 34 -1.438 0.025 11.269 1.00 75.51 H new ATOM 0 HG13 VAL A 34 -0.812 -0.857 12.682 1.00 75.51 H new ATOM 0 HG21 VAL A 34 2.167 -0.391 11.993 1.00 2.31 H new ATOM 0 HG22 VAL A 34 1.545 -1.986 12.477 1.00 2.31 H new ATOM 0 HG23 VAL A 34 2.420 -1.802 10.938 1.00 2.31 H new ATOM 534 N ILE A 35 -1.790 -3.199 12.095 1.00 31.50 N ATOM 535 CA ILE A 35 -2.258 -4.162 13.107 1.00 71.45 C ATOM 536 C ILE A 35 -2.330 -5.582 12.516 1.00 34.41 C ATOM 537 O ILE A 35 -1.872 -6.546 13.131 1.00 13.21 O ATOM 538 CB ILE A 35 -3.646 -3.757 13.706 1.00 31.51 C ATOM 539 CG1 ILE A 35 -3.483 -2.693 14.813 1.00 14.24 C ATOM 540 CG2 ILE A 35 -4.399 -4.975 14.253 1.00 10.54 C ATOM 541 CD1 ILE A 35 -2.859 -1.396 14.354 1.00 63.21 C ATOM 0 H ILE A 35 -2.470 -2.478 11.853 1.00 31.50 H new ATOM 0 HA ILE A 35 -1.531 -4.150 13.919 1.00 71.45 H new ATOM 0 HB ILE A 35 -4.235 -3.329 12.894 1.00 31.51 H new ATOM 0 HG12 ILE A 35 -4.463 -2.478 15.239 1.00 14.24 H new ATOM 0 HG13 ILE A 35 -2.872 -3.111 15.613 1.00 14.24 H new ATOM 0 HG21 ILE A 35 -5.358 -4.657 14.661 1.00 10.54 H new ATOM 0 HG22 ILE A 35 -4.567 -5.691 13.448 1.00 10.54 H new ATOM 0 HG23 ILE A 35 -3.808 -5.445 15.039 1.00 10.54 H new ATOM 0 HD11 ILE A 35 -2.784 -0.710 15.197 1.00 63.21 H new ATOM 0 HD12 ILE A 35 -1.863 -1.592 13.956 1.00 63.21 H new ATOM 0 HD13 ILE A 35 -3.479 -0.949 13.576 1.00 63.21 H new ATOM 553 N SER A 36 -2.887 -5.698 11.310 1.00 23.44 N ATOM 554 CA SER A 36 -2.959 -6.990 10.608 1.00 30.14 C ATOM 555 C SER A 36 -1.558 -7.574 10.377 1.00 52.10 C ATOM 556 O SER A 36 -1.336 -8.776 10.541 1.00 73.55 O ATOM 557 CB SER A 36 -3.680 -6.837 9.263 1.00 45.03 C ATOM 558 OG SER A 36 -3.760 -8.078 8.573 1.00 4.43 O ATOM 0 H SER A 36 -3.295 -4.918 10.796 1.00 23.44 H new ATOM 0 HA SER A 36 -3.523 -7.676 11.240 1.00 30.14 H new ATOM 0 HB2 SER A 36 -4.684 -6.446 9.429 1.00 45.03 H new ATOM 0 HB3 SER A 36 -3.152 -6.109 8.646 1.00 45.03 H new ATOM 0 HG SER A 36 -4.226 -7.949 7.721 1.00 4.43 H new ATOM 564 N SER A 37 -0.615 -6.713 9.992 1.00 13.54 N ATOM 565 CA SER A 37 0.787 -7.123 9.825 1.00 11.02 C ATOM 566 C SER A 37 1.420 -7.494 11.173 1.00 15.31 C ATOM 567 O SER A 37 2.228 -8.417 11.258 1.00 2.01 O ATOM 568 CB SER A 37 1.607 -6.006 9.162 1.00 41.21 C ATOM 569 OG SER A 37 2.959 -6.401 8.969 1.00 54.43 O ATOM 0 H SER A 37 -0.792 -5.729 9.790 1.00 13.54 H new ATOM 0 HA SER A 37 0.795 -8.002 9.181 1.00 11.02 H new ATOM 0 HB2 SER A 37 1.161 -5.746 8.202 1.00 41.21 H new ATOM 0 HB3 SER A 37 1.573 -5.110 9.782 1.00 41.21 H new ATOM 0 HG SER A 37 3.556 -5.706 9.318 1.00 54.43 H new ATOM 575 N LEU A 38 1.045 -6.763 12.223 1.00 32.23 N ATOM 576 CA LEU A 38 1.547 -7.012 13.583 1.00 53.41 C ATOM 577 C LEU A 38 1.142 -8.412 14.084 1.00 25.12 C ATOM 578 O LEU A 38 1.918 -9.090 14.759 1.00 0.33 O ATOM 579 CB LEU A 38 1.012 -5.931 14.533 1.00 34.15 C ATOM 580 CG LEU A 38 1.588 -5.947 15.958 1.00 24.01 C ATOM 581 CD1 LEU A 38 3.098 -5.715 15.931 1.00 1.51 C ATOM 582 CD2 LEU A 38 0.892 -4.902 16.828 1.00 65.52 C ATOM 0 H LEU A 38 0.389 -5.985 12.160 1.00 32.23 H new ATOM 0 HA LEU A 38 2.636 -6.972 13.561 1.00 53.41 H new ATOM 0 HB2 LEU A 38 1.212 -4.955 14.092 1.00 34.15 H new ATOM 0 HB3 LEU A 38 -0.071 -6.035 14.598 1.00 34.15 H new ATOM 0 HG LEU A 38 1.405 -6.929 16.393 1.00 24.01 H new ATOM 0 HD11 LEU A 38 3.487 -5.730 16.949 1.00 1.51 H new ATOM 0 HD12 LEU A 38 3.577 -6.502 15.348 1.00 1.51 H new ATOM 0 HD13 LEU A 38 3.309 -4.747 15.476 1.00 1.51 H new ATOM 0 HD21 LEU A 38 1.312 -4.927 17.833 1.00 65.52 H new ATOM 0 HD22 LEU A 38 1.041 -3.912 16.397 1.00 65.52 H new ATOM 0 HD23 LEU A 38 -0.175 -5.120 16.875 1.00 65.52 H new ATOM 594 N GLU A 39 -0.076 -8.837 13.744 1.00 12.44 N ATOM 595 CA GLU A 39 -0.537 -10.197 14.055 1.00 63.35 C ATOM 596 C GLU A 39 0.365 -11.252 13.389 1.00 52.02 C ATOM 597 O GLU A 39 0.503 -12.374 13.881 1.00 53.20 O ATOM 598 CB GLU A 39 -1.994 -10.396 13.590 1.00 73.31 C ATOM 599 CG GLU A 39 -3.013 -9.510 14.305 1.00 11.53 C ATOM 600 CD GLU A 39 -4.444 -9.749 13.831 1.00 61.11 C ATOM 601 OE1 GLU A 39 -5.069 -10.742 14.273 1.00 33.21 O ATOM 602 OE2 GLU A 39 -4.956 -8.948 13.018 1.00 0.34 O1- ATOM 0 H GLU A 39 -0.762 -8.263 13.254 1.00 12.44 H new ATOM 0 HA GLU A 39 -0.485 -10.324 15.136 1.00 63.35 H new ATOM 0 HB2 GLU A 39 -2.050 -10.201 12.519 1.00 73.31 H new ATOM 0 HB3 GLU A 39 -2.271 -11.440 13.739 1.00 73.31 H new ATOM 0 HG2 GLU A 39 -2.956 -9.692 15.378 1.00 11.53 H new ATOM 0 HG3 GLU A 39 -2.753 -8.464 14.145 1.00 11.53 H new ATOM 609 N LYS A 40 0.970 -10.878 12.262 1.00 45.20 N ATOM 610 CA LYS A 40 1.824 -11.784 11.480 1.00 24.10 C ATOM 611 C LYS A 40 3.320 -11.581 11.797 1.00 62.54 C ATOM 612 O LYS A 40 4.144 -12.470 11.558 1.00 52.12 O ATOM 613 CB LYS A 40 1.561 -11.540 9.987 1.00 51.13 C ATOM 614 CG LYS A 40 0.084 -11.642 9.611 1.00 10.23 C ATOM 615 CD LYS A 40 -0.184 -11.155 8.189 1.00 53.45 C ATOM 616 CE LYS A 40 -1.671 -11.194 7.856 1.00 30.03 C ATOM 617 NZ LYS A 40 -1.946 -10.696 6.485 1.00 65.21 N1+ ATOM 0 H LYS A 40 0.885 -9.943 11.863 1.00 45.20 H new ATOM 0 HA LYS A 40 1.577 -12.812 11.746 1.00 24.10 H new ATOM 0 HB2 LYS A 40 1.930 -10.551 9.717 1.00 51.13 H new ATOM 0 HB3 LYS A 40 2.129 -12.263 9.402 1.00 51.13 H new ATOM 0 HG2 LYS A 40 -0.243 -12.678 9.706 1.00 10.23 H new ATOM 0 HG3 LYS A 40 -0.509 -11.055 10.312 1.00 10.23 H new ATOM 0 HD2 LYS A 40 0.189 -10.137 8.076 1.00 53.45 H new ATOM 0 HD3 LYS A 40 0.365 -11.776 7.481 1.00 53.45 H new ATOM 0 HE2 LYS A 40 -2.037 -12.216 7.951 1.00 30.03 H new ATOM 0 HE3 LYS A 40 -2.220 -10.590 8.578 1.00 30.03 H new ATOM 0 HZ1 LYS A 40 -2.968 -10.739 6.299 1.00 65.21 H new ATOM 0 HZ2 LYS A 40 -1.620 -9.712 6.401 1.00 65.21 H new ATOM 0 HZ3 LYS A 40 -1.443 -11.287 5.793 1.00 65.21 H new ATOM 631 N TYR A 41 3.659 -10.413 12.344 1.00 2.00 N ATOM 632 CA TYR A 41 5.044 -10.076 12.714 1.00 44.42 C ATOM 633 C TYR A 41 5.093 -9.403 14.096 1.00 3.30 C ATOM 634 O TYR A 41 4.889 -8.192 14.211 1.00 41.11 O ATOM 635 CB TYR A 41 5.684 -9.142 11.668 1.00 1.21 C ATOM 636 CG TYR A 41 5.778 -9.737 10.274 1.00 23.42 C ATOM 637 CD1 TYR A 41 6.811 -10.608 9.939 1.00 71.13 C ATOM 638 CD2 TYR A 41 4.845 -9.418 9.291 1.00 51.30 C ATOM 639 CE1 TYR A 41 6.905 -11.146 8.671 1.00 24.24 C ATOM 640 CE2 TYR A 41 4.934 -9.956 8.021 1.00 14.11 C ATOM 641 CZ TYR A 41 5.968 -10.815 7.716 1.00 11.45 C ATOM 642 OH TYR A 41 6.062 -11.350 6.451 1.00 4.12 O ATOM 0 H TYR A 41 2.987 -9.672 12.545 1.00 2.00 H new ATOM 0 HA TYR A 41 5.608 -11.008 12.750 1.00 44.42 H new ATOM 0 HB2 TYR A 41 5.105 -8.220 11.619 1.00 1.21 H new ATOM 0 HB3 TYR A 41 6.685 -8.872 12.003 1.00 1.21 H new ATOM 0 HD1 TYR A 41 7.550 -10.867 10.683 1.00 71.13 H new ATOM 0 HD2 TYR A 41 4.038 -8.739 9.525 1.00 51.30 H new ATOM 0 HE1 TYR A 41 7.710 -11.824 8.428 1.00 24.24 H new ATOM 0 HE2 TYR A 41 4.198 -9.705 7.272 1.00 14.11 H new ATOM 0 HH TYR A 41 5.215 -11.218 5.976 1.00 4.12 H new ATOM 652 N PRO A 42 5.347 -10.178 15.168 1.00 44.11 N ATOM 653 CA PRO A 42 5.412 -9.637 16.536 1.00 12.00 C ATOM 654 C PRO A 42 6.741 -8.916 16.841 1.00 5.32 C ATOM 655 O PRO A 42 7.788 -9.246 16.281 1.00 63.31 O ATOM 656 CB PRO A 42 5.256 -10.892 17.399 1.00 60.22 C ATOM 657 CG PRO A 42 5.871 -11.982 16.583 1.00 43.31 C ATOM 658 CD PRO A 42 5.578 -11.640 15.141 1.00 22.33 C ATOM 0 HA PRO A 42 4.654 -8.874 16.714 1.00 12.00 H new ATOM 0 HB2 PRO A 42 5.761 -10.780 18.358 1.00 60.22 H new ATOM 0 HB3 PRO A 42 4.208 -11.099 17.613 1.00 60.22 H new ATOM 0 HG2 PRO A 42 6.945 -12.042 16.759 1.00 43.31 H new ATOM 0 HG3 PRO A 42 5.450 -12.952 16.847 1.00 43.31 H new ATOM 0 HD2 PRO A 42 6.412 -11.902 14.490 1.00 22.33 H new ATOM 0 HD3 PRO A 42 4.704 -12.177 14.772 1.00 22.33 H new ATOM 666 N ILE A 43 6.692 -7.931 17.738 1.00 41.22 N ATOM 667 CA ILE A 43 7.872 -7.127 18.080 1.00 34.31 C ATOM 668 C ILE A 43 8.453 -7.525 19.448 1.00 43.31 C ATOM 669 O ILE A 43 7.750 -7.518 20.456 1.00 44.41 O ATOM 670 CB ILE A 43 7.520 -5.618 18.102 1.00 13.24 C ATOM 671 CG1 ILE A 43 6.913 -5.197 16.752 1.00 30.15 C ATOM 672 CG2 ILE A 43 8.758 -4.777 18.428 1.00 41.42 C ATOM 673 CD1 ILE A 43 6.432 -3.762 16.715 1.00 54.14 C ATOM 0 H ILE A 43 5.846 -7.668 18.244 1.00 41.22 H new ATOM 0 HA ILE A 43 8.621 -7.319 17.312 1.00 34.31 H new ATOM 0 HB ILE A 43 6.781 -5.444 18.884 1.00 13.24 H new ATOM 0 HG12 ILE A 43 7.658 -5.340 15.970 1.00 30.15 H new ATOM 0 HG13 ILE A 43 6.076 -5.856 16.520 1.00 30.15 H new ATOM 0 HG21 ILE A 43 8.488 -3.721 18.438 1.00 41.42 H new ATOM 0 HG22 ILE A 43 9.144 -5.062 19.407 1.00 41.42 H new ATOM 0 HG23 ILE A 43 9.524 -4.948 17.672 1.00 41.42 H new ATOM 0 HD11 ILE A 43 6.018 -3.542 15.731 1.00 54.14 H new ATOM 0 HD12 ILE A 43 5.662 -3.617 17.473 1.00 54.14 H new ATOM 0 HD13 ILE A 43 7.269 -3.093 16.914 1.00 54.14 H new ATOM 685 N THR A 44 9.741 -7.869 19.475 1.00 30.21 N ATOM 686 CA THR A 44 10.423 -8.216 20.735 1.00 35.31 C ATOM 687 C THR A 44 10.671 -6.988 21.619 1.00 52.31 C ATOM 688 O THR A 44 10.736 -5.859 21.134 1.00 55.01 O ATOM 689 CB THR A 44 11.789 -8.897 20.481 1.00 74.21 C ATOM 690 OG1 THR A 44 12.482 -9.086 21.726 1.00 63.15 O ATOM 691 CG2 THR A 44 12.656 -8.067 19.535 1.00 43.23 C ATOM 0 H THR A 44 10.335 -7.917 18.647 1.00 30.21 H new ATOM 0 HA THR A 44 9.751 -8.905 21.246 1.00 35.31 H new ATOM 0 HB THR A 44 11.600 -9.864 20.014 1.00 74.21 H new ATOM 0 HG1 THR A 44 13.345 -9.519 21.558 1.00 63.15 H new ATOM 0 HG21 THR A 44 13.609 -8.572 19.377 1.00 43.23 H new ATOM 0 HG22 THR A 44 12.144 -7.951 18.580 1.00 43.23 H new ATOM 0 HG23 THR A 44 12.835 -7.085 19.973 1.00 43.23 H new ATOM 699 N LYS A 45 10.861 -7.233 22.915 1.00 51.42 N ATOM 700 CA LYS A 45 11.133 -6.174 23.895 1.00 62.23 C ATOM 701 C LYS A 45 12.388 -5.361 23.524 1.00 61.45 C ATOM 702 O LYS A 45 12.455 -4.154 23.773 1.00 52.35 O ATOM 703 CB LYS A 45 11.289 -6.809 25.287 1.00 14.42 C ATOM 704 CG LYS A 45 11.773 -5.866 26.390 1.00 65.11 C ATOM 705 CD LYS A 45 10.865 -4.652 26.571 1.00 64.24 C ATOM 706 CE LYS A 45 11.289 -3.810 27.774 1.00 41.33 C ATOM 707 NZ LYS A 45 12.749 -3.520 27.771 1.00 5.00 N1+ ATOM 0 H LYS A 45 10.831 -8.169 23.318 1.00 51.42 H new ATOM 0 HA LYS A 45 10.294 -5.478 23.899 1.00 62.23 H new ATOM 0 HB2 LYS A 45 10.328 -7.227 25.586 1.00 14.42 H new ATOM 0 HB3 LYS A 45 11.989 -7.641 25.211 1.00 14.42 H new ATOM 0 HG2 LYS A 45 11.831 -6.414 27.330 1.00 65.11 H new ATOM 0 HG3 LYS A 45 12.782 -5.527 26.155 1.00 65.11 H new ATOM 0 HD2 LYS A 45 10.891 -4.040 25.670 1.00 64.24 H new ATOM 0 HD3 LYS A 45 9.835 -4.983 26.702 1.00 64.24 H new ATOM 0 HE2 LYS A 45 10.734 -2.872 27.772 1.00 41.33 H new ATOM 0 HE3 LYS A 45 11.026 -4.334 28.693 1.00 41.33 H new ATOM 0 HZ1 LYS A 45 12.943 -2.708 28.391 1.00 5.00 H new ATOM 0 HZ2 LYS A 45 13.269 -4.352 28.117 1.00 5.00 H new ATOM 0 HZ3 LYS A 45 13.057 -3.297 26.803 1.00 5.00 H new ATOM 721 N GLU A 46 13.363 -6.024 22.903 1.00 31.22 N ATOM 722 CA GLU A 46 14.627 -5.377 22.524 1.00 3.11 C ATOM 723 C GLU A 46 14.398 -4.207 21.544 1.00 23.34 C ATOM 724 O GLU A 46 14.891 -3.095 21.756 1.00 5.11 O ATOM 725 CB GLU A 46 15.557 -6.425 21.891 1.00 43.34 C ATOM 726 CG GLU A 46 16.919 -5.889 21.467 1.00 71.40 C ATOM 727 CD GLU A 46 17.800 -6.967 20.853 1.00 63.12 C ATOM 728 OE1 GLU A 46 18.404 -7.748 21.615 1.00 12.34 O ATOM 729 OE2 GLU A 46 17.884 -7.047 19.609 1.00 75.52 O1- ATOM 0 H GLU A 46 13.305 -7.010 22.650 1.00 31.22 H new ATOM 0 HA GLU A 46 15.086 -4.963 23.422 1.00 3.11 H new ATOM 0 HB2 GLU A 46 15.706 -7.237 22.603 1.00 43.34 H new ATOM 0 HB3 GLU A 46 15.062 -6.852 21.019 1.00 43.34 H new ATOM 0 HG2 GLU A 46 16.781 -5.082 20.747 1.00 71.40 H new ATOM 0 HG3 GLU A 46 17.424 -5.461 22.333 1.00 71.40 H new ATOM 736 N ALA A 47 13.652 -4.467 20.474 1.00 55.23 N ATOM 737 CA ALA A 47 13.246 -3.420 19.526 1.00 35.45 C ATOM 738 C ALA A 47 12.158 -2.505 20.119 1.00 31.14 C ATOM 739 O ALA A 47 12.154 -1.290 19.899 1.00 12.03 O ATOM 740 CB ALA A 47 12.763 -4.050 18.222 1.00 42.10 C ATOM 0 H ALA A 47 13.312 -5.399 20.236 1.00 55.23 H new ATOM 0 HA ALA A 47 14.118 -2.799 19.320 1.00 35.45 H new ATOM 0 HB1 ALA A 47 12.465 -3.265 17.527 1.00 42.10 H new ATOM 0 HB2 ALA A 47 13.569 -4.638 17.782 1.00 42.10 H new ATOM 0 HB3 ALA A 47 11.910 -4.698 18.425 1.00 42.10 H new ATOM 746 N LEU A 48 11.250 -3.119 20.882 1.00 53.44 N ATOM 747 CA LEU A 48 10.048 -2.450 21.406 1.00 35.45 C ATOM 748 C LEU A 48 10.392 -1.243 22.299 1.00 45.24 C ATOM 749 O LEU A 48 9.825 -0.159 22.146 1.00 53.41 O ATOM 750 CB LEU A 48 9.235 -3.475 22.218 1.00 23.25 C ATOM 751 CG LEU A 48 7.794 -3.078 22.575 1.00 3.12 C ATOM 752 CD1 LEU A 48 6.899 -3.108 21.339 1.00 65.31 C ATOM 753 CD2 LEU A 48 7.238 -3.989 23.669 1.00 61.22 C ATOM 0 H LEU A 48 11.325 -4.098 21.157 1.00 53.44 H new ATOM 0 HA LEU A 48 9.472 -2.072 20.561 1.00 35.45 H new ATOM 0 HB2 LEU A 48 9.203 -4.408 21.655 1.00 23.25 H new ATOM 0 HB3 LEU A 48 9.772 -3.680 23.144 1.00 23.25 H new ATOM 0 HG LEU A 48 7.809 -2.057 22.956 1.00 3.12 H new ATOM 0 HD11 LEU A 48 5.884 -2.823 21.618 1.00 65.31 H new ATOM 0 HD12 LEU A 48 7.281 -2.408 20.596 1.00 65.31 H new ATOM 0 HD13 LEU A 48 6.891 -4.114 20.920 1.00 65.31 H new ATOM 0 HD21 LEU A 48 6.217 -3.691 23.907 1.00 61.22 H new ATOM 0 HD22 LEU A 48 7.242 -5.022 23.320 1.00 61.22 H new ATOM 0 HD23 LEU A 48 7.858 -3.905 24.562 1.00 61.22 H new ATOM 765 N GLU A 49 11.328 -1.438 23.224 1.00 64.54 N ATOM 766 CA GLU A 49 11.743 -0.377 24.154 1.00 64.23 C ATOM 767 C GLU A 49 12.582 0.709 23.456 1.00 45.21 C ATOM 768 O GLU A 49 12.330 1.908 23.609 1.00 24.21 O ATOM 769 CB GLU A 49 12.545 -0.989 25.309 1.00 54.51 C ATOM 770 CG GLU A 49 13.079 0.033 26.311 1.00 2.34 C ATOM 771 CD GLU A 49 13.849 -0.616 27.448 1.00 65.11 C ATOM 772 OE1 GLU A 49 13.244 -0.868 28.510 1.00 1.24 O ATOM 773 OE2 GLU A 49 15.055 -0.891 27.279 1.00 10.23 O1- ATOM 0 H GLU A 49 11.819 -2.323 23.354 1.00 64.54 H new ATOM 0 HA GLU A 49 10.840 0.100 24.536 1.00 64.23 H new ATOM 0 HB2 GLU A 49 11.913 -1.703 25.837 1.00 54.51 H new ATOM 0 HB3 GLU A 49 13.384 -1.550 24.897 1.00 54.51 H new ATOM 0 HG2 GLU A 49 13.728 0.740 25.794 1.00 2.34 H new ATOM 0 HG3 GLU A 49 12.246 0.605 26.720 1.00 2.34 H new ATOM 780 N GLU A 50 13.558 0.266 22.668 1.00 31.11 N ATOM 781 CA GLU A 50 14.551 1.157 22.051 1.00 21.33 C ATOM 782 C GLU A 50 13.903 2.236 21.167 1.00 50.14 C ATOM 783 O GLU A 50 14.155 3.433 21.337 1.00 24.44 O ATOM 784 CB GLU A 50 15.529 0.315 21.220 1.00 5.02 C ATOM 785 CG GLU A 50 16.584 1.125 20.474 1.00 31.30 C ATOM 786 CD GLU A 50 17.509 0.248 19.647 1.00 31.42 C ATOM 787 OE1 GLU A 50 17.046 -0.321 18.637 1.00 42.01 O ATOM 788 OE2 GLU A 50 18.700 0.127 19.998 1.00 70.32 O1- ATOM 0 H GLU A 50 13.687 -0.719 22.436 1.00 31.11 H new ATOM 0 HA GLU A 50 15.079 1.677 22.850 1.00 21.33 H new ATOM 0 HB2 GLU A 50 16.031 -0.392 21.880 1.00 5.02 H new ATOM 0 HB3 GLU A 50 14.961 -0.271 20.498 1.00 5.02 H new ATOM 0 HG2 GLU A 50 16.091 1.845 19.821 1.00 31.30 H new ATOM 0 HG3 GLU A 50 17.174 1.696 21.191 1.00 31.30 H new ATOM 795 N THR A 51 13.062 1.807 20.233 1.00 24.44 N ATOM 796 CA THR A 51 12.408 2.724 19.286 1.00 35.40 C ATOM 797 C THR A 51 11.079 3.269 19.835 1.00 60.00 C ATOM 798 O THR A 51 10.318 3.913 19.113 1.00 11.02 O ATOM 799 CB THR A 51 12.149 2.030 17.929 1.00 20.55 C ATOM 800 OG1 THR A 51 11.312 0.880 18.116 1.00 73.15 O ATOM 801 CG2 THR A 51 13.460 1.608 17.275 1.00 64.04 C ATOM 0 H THR A 51 12.811 0.827 20.105 1.00 24.44 H new ATOM 0 HA THR A 51 13.092 3.560 19.143 1.00 35.40 H new ATOM 0 HB THR A 51 11.647 2.742 17.274 1.00 20.55 H new ATOM 0 HG1 THR A 51 11.802 0.197 18.620 1.00 73.15 H new ATOM 0 HG21 THR A 51 13.251 1.122 16.322 1.00 64.04 H new ATOM 0 HG22 THR A 51 14.082 2.487 17.106 1.00 64.04 H new ATOM 0 HG23 THR A 51 13.986 0.913 17.929 1.00 64.04 H new ATOM 809 N ARG A 52 10.815 2.999 21.119 1.00 35.13 N ATOM 810 CA ARG A 52 9.581 3.434 21.796 1.00 62.04 C ATOM 811 C ARG A 52 8.320 2.790 21.194 1.00 70.31 C ATOM 812 O ARG A 52 7.216 3.322 21.322 1.00 71.20 O ATOM 813 CB ARG A 52 9.457 4.971 21.783 1.00 32.54 C ATOM 814 CG ARG A 52 10.441 5.689 22.707 1.00 10.12 C ATOM 815 CD ARG A 52 10.290 5.245 24.163 1.00 75.13 C ATOM 816 NE ARG A 52 11.012 6.121 25.089 1.00 71.45 N ATOM 817 CZ ARG A 52 12.243 5.929 25.485 1.00 12.04 C ATOM 818 NH1 ARG A 52 12.927 4.915 25.061 1.00 13.31 N1+ ATOM 819 NH2 ARG A 52 12.793 6.756 26.315 1.00 52.34 N ATOM 0 H ARG A 52 11.449 2.473 21.721 1.00 35.13 H new ATOM 0 HA ARG A 52 9.656 3.094 22.829 1.00 62.04 H new ATOM 0 HB2 ARG A 52 9.607 5.327 20.764 1.00 32.54 H new ATOM 0 HB3 ARG A 52 8.442 5.244 22.070 1.00 32.54 H new ATOM 0 HG2 ARG A 52 11.460 5.494 22.373 1.00 10.12 H new ATOM 0 HG3 ARG A 52 10.283 6.765 22.638 1.00 10.12 H new ATOM 0 HD2 ARG A 52 9.233 5.231 24.429 1.00 75.13 H new ATOM 0 HD3 ARG A 52 10.659 4.225 24.270 1.00 75.13 H new ATOM 0 HE ARG A 52 10.520 6.938 25.450 1.00 71.45 H new ATOM 0 HH11 ARG A 52 12.506 4.253 24.409 1.00 13.31 H new ATOM 0 HH12 ARG A 52 13.887 4.778 25.379 1.00 13.31 H new ATOM 0 HH21 ARG A 52 12.266 7.558 26.660 1.00 52.34 H new ATOM 0 HH22 ARG A 52 13.753 6.606 26.624 1.00 52.34 H new ATOM 833 N LEU A 53 8.478 1.616 20.585 1.00 62.33 N ATOM 834 CA LEU A 53 7.332 0.852 20.082 1.00 73.35 C ATOM 835 C LEU A 53 6.459 0.344 21.241 1.00 33.42 C ATOM 836 O LEU A 53 5.297 0.000 21.053 1.00 34.05 O ATOM 837 CB LEU A 53 7.805 -0.321 19.213 1.00 22.15 C ATOM 838 CG LEU A 53 8.385 0.068 17.844 1.00 0.01 C ATOM 839 CD1 LEU A 53 8.992 -1.148 17.145 1.00 70.11 C ATOM 840 CD2 LEU A 53 7.308 0.709 16.971 1.00 52.43 C ATOM 0 H LEU A 53 9.383 1.173 20.427 1.00 62.33 H new ATOM 0 HA LEU A 53 6.727 1.517 19.467 1.00 73.35 H new ATOM 0 HB2 LEU A 53 8.562 -0.878 19.765 1.00 22.15 H new ATOM 0 HB3 LEU A 53 6.964 -0.996 19.054 1.00 22.15 H new ATOM 0 HG LEU A 53 9.179 0.797 18.004 1.00 0.01 H new ATOM 0 HD11 LEU A 53 9.396 -0.848 16.178 1.00 70.11 H new ATOM 0 HD12 LEU A 53 9.792 -1.560 17.760 1.00 70.11 H new ATOM 0 HD13 LEU A 53 8.222 -1.905 16.997 1.00 70.11 H new ATOM 0 HD21 LEU A 53 7.735 0.979 16.005 1.00 52.43 H new ATOM 0 HD22 LEU A 53 6.492 0.002 16.822 1.00 52.43 H new ATOM 0 HD23 LEU A 53 6.927 1.605 17.462 1.00 52.43 H new ATOM 852 N GLY A 54 7.024 0.320 22.445 1.00 55.40 N ATOM 853 CA GLY A 54 6.255 -0.043 23.630 1.00 64.21 C ATOM 854 C GLY A 54 5.048 0.865 23.837 1.00 73.41 C ATOM 855 O GLY A 54 4.015 0.438 24.358 1.00 62.14 O ATOM 0 H GLY A 54 8.002 0.545 22.625 1.00 55.40 H new ATOM 0 HA2 GLY A 54 5.919 -1.076 23.540 1.00 64.21 H new ATOM 0 HA3 GLY A 54 6.899 0.007 24.508 1.00 64.21 H new ATOM 859 N LYS A 55 5.186 2.123 23.424 1.00 63.43 N ATOM 860 CA LYS A 55 4.108 3.109 23.532 1.00 24.15 C ATOM 861 C LYS A 55 2.839 2.670 22.774 1.00 35.15 C ATOM 862 O LYS A 55 1.724 2.937 23.225 1.00 35.12 O ATOM 863 CB LYS A 55 4.594 4.464 23.002 1.00 22.15 C ATOM 864 CG LYS A 55 3.576 5.591 23.151 1.00 30.12 C ATOM 865 CD LYS A 55 4.111 6.907 22.595 1.00 24.35 C ATOM 866 CE LYS A 55 3.104 8.041 22.748 1.00 61.12 C ATOM 867 NZ LYS A 55 3.634 9.323 22.218 1.00 24.20 N1+ ATOM 0 H LYS A 55 6.042 2.488 23.007 1.00 63.43 H new ATOM 0 HA LYS A 55 3.842 3.195 24.586 1.00 24.15 H new ATOM 0 HB2 LYS A 55 5.507 4.742 23.528 1.00 22.15 H new ATOM 0 HB3 LYS A 55 4.852 4.359 21.948 1.00 22.15 H new ATOM 0 HG2 LYS A 55 2.656 5.323 22.631 1.00 30.12 H new ATOM 0 HG3 LYS A 55 3.322 5.716 24.204 1.00 30.12 H new ATOM 0 HD2 LYS A 55 5.035 7.170 23.111 1.00 24.35 H new ATOM 0 HD3 LYS A 55 4.359 6.782 21.541 1.00 24.35 H new ATOM 0 HE2 LYS A 55 2.184 7.783 22.224 1.00 61.12 H new ATOM 0 HE3 LYS A 55 2.848 8.161 23.801 1.00 61.12 H new ATOM 0 HZ1 LYS A 55 2.921 10.070 22.340 1.00 24.20 H new ATOM 0 HZ2 LYS A 55 4.498 9.582 22.735 1.00 24.20 H new ATOM 0 HZ3 LYS A 55 3.854 9.216 21.207 1.00 24.20 H new ATOM 881 N LEU A 56 3.002 1.981 21.634 1.00 13.23 N ATOM 882 CA LEU A 56 1.845 1.554 20.829 1.00 34.34 C ATOM 883 C LEU A 56 0.882 0.700 21.669 1.00 71.11 C ATOM 884 O LEU A 56 -0.329 0.758 21.482 1.00 10.12 O ATOM 885 CB LEU A 56 2.285 0.808 19.542 1.00 10.34 C ATOM 886 CG LEU A 56 2.802 -0.647 19.692 1.00 64.21 C ATOM 887 CD1 LEU A 56 1.653 -1.656 19.760 1.00 14.11 C ATOM 888 CD2 LEU A 56 3.747 -1.003 18.544 1.00 4.54 C ATOM 0 H LEU A 56 3.908 1.711 21.252 1.00 13.23 H new ATOM 0 HA LEU A 56 1.313 2.451 20.512 1.00 34.34 H new ATOM 0 HB2 LEU A 56 1.438 0.794 18.857 1.00 10.34 H new ATOM 0 HB3 LEU A 56 3.070 1.395 19.066 1.00 10.34 H new ATOM 0 HG LEU A 56 3.348 -0.701 20.634 1.00 64.21 H new ATOM 0 HD11 LEU A 56 2.058 -2.662 19.865 1.00 14.11 H new ATOM 0 HD12 LEU A 56 1.019 -1.429 20.617 1.00 14.11 H new ATOM 0 HD13 LEU A 56 1.062 -1.596 18.846 1.00 14.11 H new ATOM 0 HD21 LEU A 56 4.099 -2.027 18.667 1.00 4.54 H new ATOM 0 HD22 LEU A 56 3.218 -0.913 17.596 1.00 4.54 H new ATOM 0 HD23 LEU A 56 4.599 -0.323 18.550 1.00 4.54 H new ATOM 900 N ILE A 57 1.435 -0.085 22.597 1.00 25.12 N ATOM 901 CA ILE A 57 0.628 -0.910 23.505 1.00 22.41 C ATOM 902 C ILE A 57 -0.273 -0.030 24.389 1.00 44.52 C ATOM 903 O ILE A 57 -1.435 -0.353 24.647 1.00 54.21 O ATOM 904 CB ILE A 57 1.532 -1.782 24.415 1.00 12.25 C ATOM 905 CG1 ILE A 57 2.524 -2.597 23.567 1.00 64.44 C ATOM 906 CG2 ILE A 57 0.688 -2.703 25.297 1.00 62.21 C ATOM 907 CD1 ILE A 57 3.507 -3.418 24.380 1.00 63.25 C ATOM 0 H ILE A 57 2.441 -0.168 22.741 1.00 25.12 H new ATOM 0 HA ILE A 57 0.007 -1.559 22.888 1.00 22.41 H new ATOM 0 HB ILE A 57 2.102 -1.120 25.067 1.00 12.25 H new ATOM 0 HG12 ILE A 57 1.963 -3.265 22.913 1.00 64.44 H new ATOM 0 HG13 ILE A 57 3.081 -1.915 22.924 1.00 64.44 H new ATOM 0 HG21 ILE A 57 1.343 -3.305 25.926 1.00 62.21 H new ATOM 0 HG22 ILE A 57 0.031 -2.102 25.927 1.00 62.21 H new ATOM 0 HG23 ILE A 57 0.087 -3.359 24.667 1.00 62.21 H new ATOM 0 HD11 ILE A 57 4.170 -3.962 23.708 1.00 63.25 H new ATOM 0 HD12 ILE A 57 4.097 -2.756 25.014 1.00 63.25 H new ATOM 0 HD13 ILE A 57 2.961 -4.127 25.003 1.00 63.25 H new ATOM 919 N ASN A 58 0.286 1.086 24.842 1.00 11.25 N ATOM 920 CA ASN A 58 -0.442 2.052 25.666 1.00 33.10 C ATOM 921 C ASN A 58 -1.527 2.770 24.845 1.00 42.01 C ATOM 922 O ASN A 58 -2.692 2.835 25.246 1.00 72.32 O ATOM 923 CB ASN A 58 0.553 3.070 26.244 1.00 75.02 C ATOM 924 CG ASN A 58 -0.113 4.162 27.062 1.00 50.35 C ATOM 925 OD1 ASN A 58 -0.292 4.030 28.271 1.00 14.32 O ATOM 926 ND2 ASN A 58 -0.478 5.254 26.418 1.00 33.55 N ATOM 0 H ASN A 58 1.253 1.349 24.651 1.00 11.25 H new ATOM 0 HA ASN A 58 -0.938 1.522 26.479 1.00 33.10 H new ATOM 0 HB2 ASN A 58 1.276 2.546 26.870 1.00 75.02 H new ATOM 0 HB3 ASN A 58 1.111 3.527 25.427 1.00 75.02 H new ATOM 0 HD21 ASN A 58 -0.923 6.020 26.924 1.00 33.55 H new ATOM 0 HD22 ASN A 58 -0.315 5.332 25.414 1.00 33.55 H new ATOM 933 N ASP A 59 -1.133 3.283 23.682 1.00 45.24 N ATOM 934 CA ASP A 59 -2.024 4.071 22.827 1.00 11.54 C ATOM 935 C ASP A 59 -3.164 3.221 22.230 1.00 15.54 C ATOM 936 O ASP A 59 -4.317 3.658 22.206 1.00 70.35 O ATOM 937 CB ASP A 59 -1.204 4.743 21.712 1.00 44.24 C ATOM 938 CG ASP A 59 -0.184 5.744 22.247 1.00 20.45 C ATOM 939 OD1 ASP A 59 0.077 5.754 23.474 1.00 2.24 O ATOM 940 OD2 ASP A 59 0.361 6.529 21.443 1.00 61.33 O1- ATOM 0 H ASP A 59 -0.192 3.166 23.305 1.00 45.24 H new ATOM 0 HA ASP A 59 -2.495 4.835 23.446 1.00 11.54 H new ATOM 0 HB2 ASP A 59 -0.686 3.976 21.136 1.00 44.24 H new ATOM 0 HB3 ASP A 59 -1.881 5.253 21.027 1.00 44.24 H new ATOM 945 N VAL A 60 -2.855 2.005 21.767 1.00 24.33 N ATOM 946 CA VAL A 60 -3.885 1.118 21.201 1.00 40.13 C ATOM 947 C VAL A 60 -4.922 0.727 22.270 1.00 22.41 C ATOM 948 O VAL A 60 -6.107 0.581 21.982 1.00 23.01 O ATOM 949 CB VAL A 60 -3.274 -0.171 20.572 1.00 14.41 C ATOM 950 CG1 VAL A 60 -2.717 -1.109 21.642 1.00 54.00 C ATOM 951 CG2 VAL A 60 -4.303 -0.894 19.699 1.00 72.55 C ATOM 0 H VAL A 60 -1.913 1.613 21.771 1.00 24.33 H new ATOM 0 HA VAL A 60 -4.376 1.680 20.407 1.00 40.13 H new ATOM 0 HB VAL A 60 -2.443 0.137 19.938 1.00 14.41 H new ATOM 0 HG11 VAL A 60 -2.300 -1.996 21.166 1.00 54.00 H new ATOM 0 HG12 VAL A 60 -1.936 -0.597 22.204 1.00 54.00 H new ATOM 0 HG13 VAL A 60 -3.518 -1.404 22.320 1.00 54.00 H new ATOM 0 HG21 VAL A 60 -3.852 -1.790 19.272 1.00 72.55 H new ATOM 0 HG22 VAL A 60 -5.163 -1.175 20.307 1.00 72.55 H new ATOM 0 HG23 VAL A 60 -4.627 -0.233 18.896 1.00 72.55 H new ATOM 961 N ARG A 61 -4.460 0.580 23.512 1.00 44.32 N ATOM 962 CA ARG A 61 -5.332 0.262 24.648 1.00 53.50 C ATOM 963 C ARG A 61 -6.414 1.339 24.838 1.00 55.23 C ATOM 964 O ARG A 61 -7.576 1.033 25.113 1.00 62.04 O ATOM 965 CB ARG A 61 -4.479 0.129 25.922 1.00 44.03 C ATOM 966 CG ARG A 61 -5.274 -0.121 27.201 1.00 42.33 C ATOM 967 CD ARG A 61 -4.351 -0.252 28.409 1.00 30.10 C ATOM 968 NE ARG A 61 -5.088 -0.417 29.660 1.00 50.22 N ATOM 969 CZ ARG A 61 -4.705 -1.190 30.642 1.00 63.42 C ATOM 970 NH1 ARG A 61 -3.628 -1.904 30.538 1.00 14.01 N1+ ATOM 971 NH2 ARG A 61 -5.402 -1.246 31.728 1.00 64.30 N ATOM 0 H ARG A 61 -3.476 0.677 23.761 1.00 44.32 H new ATOM 0 HA ARG A 61 -5.838 -0.682 24.447 1.00 53.50 H new ATOM 0 HB2 ARG A 61 -3.771 -0.689 25.785 1.00 44.03 H new ATOM 0 HB3 ARG A 61 -3.893 1.040 26.047 1.00 44.03 H new ATOM 0 HG2 ARG A 61 -5.974 0.698 27.363 1.00 42.33 H new ATOM 0 HG3 ARG A 61 -5.866 -1.030 27.092 1.00 42.33 H new ATOM 0 HD2 ARG A 61 -3.689 -1.106 28.266 1.00 30.10 H new ATOM 0 HD3 ARG A 61 -3.719 0.633 28.477 1.00 30.10 H new ATOM 0 HE ARG A 61 -5.957 0.105 29.774 1.00 50.22 H new ATOM 0 HH11 ARG A 61 -3.071 -1.866 29.684 1.00 14.01 H new ATOM 0 HH12 ARG A 61 -3.337 -2.504 31.310 1.00 14.01 H new ATOM 0 HH21 ARG A 61 -6.251 -0.687 31.819 1.00 64.30 H new ATOM 0 HH22 ARG A 61 -5.104 -1.849 32.495 1.00 64.30 H new ATOM 985 N LYS A 62 -6.018 2.597 24.673 1.00 32.40 N ATOM 986 CA LYS A 62 -6.925 3.738 24.852 1.00 64.55 C ATOM 987 C LYS A 62 -7.696 4.065 23.556 1.00 15.42 C ATOM 988 O LYS A 62 -8.850 4.488 23.594 1.00 10.10 O ATOM 989 CB LYS A 62 -6.109 4.961 25.302 1.00 13.44 C ATOM 990 CG LYS A 62 -6.945 6.194 25.640 1.00 74.43 C ATOM 991 CD LYS A 62 -6.068 7.372 26.059 1.00 2.23 C ATOM 992 CE LYS A 62 -6.897 8.589 26.469 1.00 51.20 C ATOM 993 NZ LYS A 62 -7.767 9.078 25.366 1.00 3.53 N1+ ATOM 0 H LYS A 62 -5.067 2.859 24.413 1.00 32.40 H new ATOM 0 HA LYS A 62 -7.662 3.476 25.612 1.00 64.55 H new ATOM 0 HB2 LYS A 62 -5.520 4.686 26.177 1.00 13.44 H new ATOM 0 HB3 LYS A 62 -5.404 5.221 24.513 1.00 13.44 H new ATOM 0 HG2 LYS A 62 -7.544 6.476 24.774 1.00 74.43 H new ATOM 0 HG3 LYS A 62 -7.640 5.953 26.444 1.00 74.43 H new ATOM 0 HD2 LYS A 62 -5.431 7.071 26.891 1.00 2.23 H new ATOM 0 HD3 LYS A 62 -5.409 7.644 25.235 1.00 2.23 H new ATOM 0 HE2 LYS A 62 -7.515 8.332 27.329 1.00 51.20 H new ATOM 0 HE3 LYS A 62 -6.229 9.391 26.785 1.00 51.20 H new ATOM 0 HZ1 LYS A 62 -8.219 9.971 25.650 1.00 3.53 H new ATOM 0 HZ2 LYS A 62 -7.192 9.237 24.514 1.00 3.53 H new ATOM 0 HZ3 LYS A 62 -8.500 8.369 25.161 1.00 3.53 H new ATOM 1007 N LYS A 63 -7.045 3.856 22.414 1.00 74.00 N ATOM 1008 CA LYS A 63 -7.591 4.238 21.100 1.00 24.12 C ATOM 1009 C LYS A 63 -8.089 3.034 20.281 1.00 33.21 C ATOM 1010 O LYS A 63 -8.286 3.147 19.069 1.00 61.44 O ATOM 1011 CB LYS A 63 -6.526 5.004 20.301 1.00 52.24 C ATOM 1012 CG LYS A 63 -6.109 6.347 20.911 1.00 62.20 C ATOM 1013 CD LYS A 63 -7.122 7.470 20.638 1.00 11.43 C ATOM 1014 CE LYS A 63 -8.359 7.395 21.531 1.00 34.13 C ATOM 1015 NZ LYS A 63 -9.310 8.503 21.252 1.00 11.45 N1+ ATOM 0 H LYS A 63 -6.125 3.418 22.366 1.00 74.00 H new ATOM 0 HA LYS A 63 -8.457 4.873 21.288 1.00 24.12 H new ATOM 0 HB2 LYS A 63 -5.642 4.374 20.204 1.00 52.24 H new ATOM 0 HB3 LYS A 63 -6.904 5.180 19.294 1.00 52.24 H new ATOM 0 HG2 LYS A 63 -5.987 6.229 21.988 1.00 62.20 H new ATOM 0 HG3 LYS A 63 -5.137 6.636 20.510 1.00 62.20 H new ATOM 0 HD2 LYS A 63 -6.634 8.434 20.784 1.00 11.43 H new ATOM 0 HD3 LYS A 63 -7.432 7.425 19.594 1.00 11.43 H new ATOM 0 HE2 LYS A 63 -8.860 6.439 21.378 1.00 34.13 H new ATOM 0 HE3 LYS A 63 -8.055 7.432 22.577 1.00 34.13 H new ATOM 0 HZ1 LYS A 63 -10.136 8.417 21.878 1.00 11.45 H new ATOM 0 HZ2 LYS A 63 -8.840 9.415 21.422 1.00 11.45 H new ATOM 0 HZ3 LYS A 63 -9.620 8.453 20.261 1.00 11.45 H new ATOM 1029 N THR A 64 -8.308 1.893 20.929 1.00 44.21 N ATOM 1030 CA THR A 64 -8.722 0.675 20.211 1.00 51.15 C ATOM 1031 C THR A 64 -10.071 0.858 19.499 1.00 11.41 C ATOM 1032 O THR A 64 -11.013 1.424 20.052 1.00 71.55 O ATOM 1033 CB THR A 64 -8.835 -0.553 21.152 1.00 72.24 C ATOM 1034 OG1 THR A 64 -9.345 -1.685 20.426 1.00 74.35 O ATOM 1035 CG2 THR A 64 -9.743 -0.260 22.346 1.00 61.51 C ATOM 0 H THR A 64 -8.209 1.779 21.938 1.00 44.21 H new ATOM 0 HA THR A 64 -7.939 0.495 19.474 1.00 51.15 H new ATOM 0 HB THR A 64 -7.837 -0.777 21.528 1.00 72.24 H new ATOM 0 HG1 THR A 64 -10.134 -2.040 20.886 1.00 74.35 H new ATOM 0 HG21 THR A 64 -9.800 -1.141 22.985 1.00 61.51 H new ATOM 0 HG22 THR A 64 -9.336 0.575 22.916 1.00 61.51 H new ATOM 0 HG23 THR A 64 -10.741 -0.005 21.990 1.00 61.51 H new ATOM 1043 N LYS A 65 -10.148 0.379 18.260 1.00 52.33 N ATOM 1044 CA LYS A 65 -11.374 0.471 17.458 1.00 55.41 C ATOM 1045 C LYS A 65 -12.484 -0.425 18.040 1.00 25.35 C ATOM 1046 O LYS A 65 -13.669 -0.101 17.954 1.00 72.41 O ATOM 1047 CB LYS A 65 -11.050 0.090 15.998 1.00 21.21 C ATOM 1048 CG LYS A 65 -12.207 0.254 15.005 1.00 50.11 C ATOM 1049 CD LYS A 65 -13.046 -1.017 14.868 1.00 21.03 C ATOM 1050 CE LYS A 65 -14.159 -0.853 13.838 1.00 23.25 C ATOM 1051 NZ LYS A 65 -14.895 -2.125 13.613 1.00 14.20 N1+ ATOM 0 H LYS A 65 -9.372 -0.081 17.783 1.00 52.33 H new ATOM 0 HA LYS A 65 -11.747 1.495 17.483 1.00 55.41 H new ATOM 0 HB2 LYS A 65 -10.212 0.699 15.658 1.00 21.21 H new ATOM 0 HB3 LYS A 65 -10.719 -0.948 15.976 1.00 21.21 H new ATOM 0 HG2 LYS A 65 -12.847 1.074 15.330 1.00 50.11 H new ATOM 0 HG3 LYS A 65 -11.807 0.529 14.029 1.00 50.11 H new ATOM 0 HD2 LYS A 65 -12.403 -1.848 14.579 1.00 21.03 H new ATOM 0 HD3 LYS A 65 -13.480 -1.272 15.835 1.00 21.03 H new ATOM 0 HE2 LYS A 65 -14.855 -0.085 14.174 1.00 23.25 H new ATOM 0 HE3 LYS A 65 -13.734 -0.507 12.896 1.00 23.25 H new ATOM 0 HZ1 LYS A 65 -15.643 -1.973 12.907 1.00 14.20 H new ATOM 0 HZ2 LYS A 65 -14.235 -2.851 13.268 1.00 14.20 H new ATOM 0 HZ3 LYS A 65 -15.322 -2.442 14.507 1.00 14.20 H new ATOM 1065 N ASN A 66 -12.085 -1.545 18.638 1.00 22.21 N ATOM 1066 CA ASN A 66 -13.027 -2.485 19.262 1.00 1.24 C ATOM 1067 C ASN A 66 -12.652 -2.736 20.733 1.00 34.01 C ATOM 1068 O ASN A 66 -11.552 -3.213 21.027 1.00 12.52 O ATOM 1069 CB ASN A 66 -13.024 -3.809 18.487 1.00 73.11 C ATOM 1070 CG ASN A 66 -14.005 -4.838 19.033 1.00 55.25 C ATOM 1071 OD1 ASN A 66 -13.715 -6.028 19.070 1.00 34.13 O ATOM 1072 ND2 ASN A 66 -15.182 -4.403 19.432 1.00 35.02 N ATOM 0 H ASN A 66 -11.108 -1.830 18.706 1.00 22.21 H new ATOM 0 HA ASN A 66 -14.026 -2.049 19.232 1.00 1.24 H new ATOM 0 HB2 ASN A 66 -13.264 -3.609 17.443 1.00 73.11 H new ATOM 0 HB3 ASN A 66 -12.019 -4.230 18.508 1.00 73.11 H new ATOM 0 HD21 ASN A 66 -15.877 -5.062 19.782 1.00 35.02 H new ATOM 0 HD22 ASN A 66 -15.398 -3.407 19.391 1.00 35.02 H new ATOM 1079 N GLU A 67 -13.568 -2.431 21.648 1.00 1.35 N ATOM 1080 CA GLU A 67 -13.318 -2.604 23.088 1.00 70.32 C ATOM 1081 C GLU A 67 -13.015 -4.074 23.434 1.00 30.24 C ATOM 1082 O GLU A 67 -12.093 -4.370 24.198 1.00 61.31 O ATOM 1083 CB GLU A 67 -14.532 -2.115 23.906 1.00 34.12 C ATOM 1084 CG GLU A 67 -14.796 -0.607 23.833 1.00 12.14 C ATOM 1085 CD GLU A 67 -15.113 -0.108 22.430 1.00 3.11 C ATOM 1086 OE1 GLU A 67 -14.533 0.913 22.009 1.00 11.23 O ATOM 1087 OE2 GLU A 67 -15.932 -0.745 21.735 1.00 54.20 O1- ATOM 0 H GLU A 67 -14.492 -2.062 21.424 1.00 1.35 H new ATOM 0 HA GLU A 67 -12.444 -2.006 23.345 1.00 70.32 H new ATOM 0 HB2 GLU A 67 -15.421 -2.642 23.559 1.00 34.12 H new ATOM 0 HB3 GLU A 67 -14.384 -2.393 24.950 1.00 34.12 H new ATOM 0 HG2 GLU A 67 -15.628 -0.360 24.493 1.00 12.14 H new ATOM 0 HG3 GLU A 67 -13.922 -0.076 24.209 1.00 12.14 H new ATOM 1094 N GLU A 68 -13.773 -4.991 22.830 1.00 41.34 N ATOM 1095 CA GLU A 68 -13.597 -6.429 23.069 1.00 64.12 C ATOM 1096 C GLU A 68 -12.238 -6.927 22.549 1.00 70.02 C ATOM 1097 O GLU A 68 -11.645 -7.853 23.110 1.00 33.22 O ATOM 1098 CB GLU A 68 -14.737 -7.222 22.410 1.00 10.21 C ATOM 1099 CG GLU A 68 -16.122 -6.898 22.965 1.00 4.10 C ATOM 1100 CD GLU A 68 -17.217 -7.774 22.373 1.00 60.44 C ATOM 1101 OE1 GLU A 68 -17.896 -7.336 21.418 1.00 13.33 O ATOM 1102 OE2 GLU A 68 -17.406 -8.908 22.862 1.00 43.35 O1- ATOM 0 H GLU A 68 -14.517 -4.765 22.170 1.00 41.34 H new ATOM 0 HA GLU A 68 -13.623 -6.591 24.147 1.00 64.12 H new ATOM 0 HB2 GLU A 68 -14.731 -7.024 21.338 1.00 10.21 H new ATOM 0 HB3 GLU A 68 -14.546 -8.287 22.538 1.00 10.21 H new ATOM 0 HG2 GLU A 68 -16.112 -7.020 24.048 1.00 4.10 H new ATOM 0 HG3 GLU A 68 -16.353 -5.852 22.765 1.00 4.10 H new ATOM 1109 N LEU A 69 -11.756 -6.305 21.476 1.00 12.21 N ATOM 1110 CA LEU A 69 -10.461 -6.659 20.883 1.00 5.11 C ATOM 1111 C LEU A 69 -9.319 -6.359 21.871 1.00 64.44 C ATOM 1112 O LEU A 69 -8.442 -7.191 22.088 1.00 34.03 O ATOM 1113 CB LEU A 69 -10.261 -5.886 19.562 1.00 12.02 C ATOM 1114 CG LEU A 69 -9.212 -6.453 18.576 1.00 50.10 C ATOM 1115 CD1 LEU A 69 -7.787 -6.283 19.100 1.00 53.14 C ATOM 1116 CD2 LEU A 69 -9.504 -7.920 18.270 1.00 33.32 C ATOM 0 H LEU A 69 -12.243 -5.549 20.994 1.00 12.21 H new ATOM 0 HA LEU A 69 -10.448 -7.727 20.666 1.00 5.11 H new ATOM 0 HB2 LEU A 69 -11.221 -5.838 19.047 1.00 12.02 H new ATOM 0 HB3 LEU A 69 -9.979 -4.862 19.807 1.00 12.02 H new ATOM 0 HG LEU A 69 -9.287 -5.880 17.652 1.00 50.10 H new ATOM 0 HD11 LEU A 69 -7.082 -6.694 18.377 1.00 53.14 H new ATOM 0 HD12 LEU A 69 -7.578 -5.224 19.248 1.00 53.14 H new ATOM 0 HD13 LEU A 69 -7.683 -6.810 20.049 1.00 53.14 H new ATOM 0 HD21 LEU A 69 -8.756 -8.302 17.575 1.00 33.32 H new ATOM 0 HD22 LEU A 69 -9.470 -8.498 19.194 1.00 33.32 H new ATOM 0 HD23 LEU A 69 -10.494 -8.008 17.823 1.00 33.32 H new ATOM 1128 N ALA A 70 -9.349 -5.171 22.478 1.00 13.41 N ATOM 1129 CA ALA A 70 -8.316 -4.765 23.444 1.00 51.41 C ATOM 1130 C ALA A 70 -8.201 -5.760 24.611 1.00 62.44 C ATOM 1131 O ALA A 70 -7.101 -6.138 25.017 1.00 35.52 O ATOM 1132 CB ALA A 70 -8.609 -3.365 23.973 1.00 30.12 C ATOM 0 H ALA A 70 -10.074 -4.471 22.321 1.00 13.41 H new ATOM 0 HA ALA A 70 -7.360 -4.759 22.920 1.00 51.41 H new ATOM 0 HB1 ALA A 70 -7.837 -3.077 24.687 1.00 30.12 H new ATOM 0 HB2 ALA A 70 -8.619 -2.657 23.144 1.00 30.12 H new ATOM 0 HB3 ALA A 70 -9.581 -3.359 24.467 1.00 30.12 H new ATOM 1138 N LYS A 71 -9.350 -6.178 25.141 1.00 10.10 N ATOM 1139 CA LYS A 71 -9.394 -7.153 26.239 1.00 74.51 C ATOM 1140 C LYS A 71 -8.742 -8.483 25.820 1.00 2.12 C ATOM 1141 O LYS A 71 -7.992 -9.097 26.583 1.00 53.02 O ATOM 1142 CB LYS A 71 -10.849 -7.401 26.665 1.00 74.12 C ATOM 1143 CG LYS A 71 -11.643 -6.123 26.933 1.00 63.31 C ATOM 1144 CD LYS A 71 -11.040 -5.283 28.057 1.00 31.22 C ATOM 1145 CE LYS A 71 -11.103 -5.997 29.402 1.00 12.12 C ATOM 1146 NZ LYS A 71 -10.607 -5.142 30.510 1.00 60.32 N1+ ATOM 0 H LYS A 71 -10.267 -5.858 24.829 1.00 10.10 H new ATOM 0 HA LYS A 71 -8.835 -6.743 27.080 1.00 74.51 H new ATOM 0 HB2 LYS A 71 -11.353 -7.973 25.886 1.00 74.12 H new ATOM 0 HB3 LYS A 71 -10.854 -8.015 27.565 1.00 74.12 H new ATOM 0 HG2 LYS A 71 -11.685 -5.527 26.021 1.00 63.31 H new ATOM 0 HG3 LYS A 71 -12.670 -6.384 27.190 1.00 63.31 H new ATOM 0 HD2 LYS A 71 -10.002 -5.050 27.819 1.00 31.22 H new ATOM 0 HD3 LYS A 71 -11.572 -4.334 28.125 1.00 31.22 H new ATOM 0 HE2 LYS A 71 -12.131 -6.295 29.606 1.00 12.12 H new ATOM 0 HE3 LYS A 71 -10.510 -6.910 29.356 1.00 12.12 H new ATOM 0 HZ1 LYS A 71 -10.667 -5.666 31.406 1.00 60.32 H new ATOM 0 HZ2 LYS A 71 -9.617 -4.878 30.329 1.00 60.32 H new ATOM 0 HZ3 LYS A 71 -11.189 -4.282 30.572 1.00 60.32 H new ATOM 1160 N ARG A 72 -9.034 -8.909 24.593 1.00 15.54 N ATOM 1161 CA ARG A 72 -8.484 -10.148 24.028 1.00 45.31 C ATOM 1162 C ARG A 72 -6.983 -10.007 23.713 1.00 33.51 C ATOM 1163 O ARG A 72 -6.204 -10.946 23.881 1.00 63.41 O ATOM 1164 CB ARG A 72 -9.257 -10.515 22.754 1.00 14.52 C ATOM 1165 CG ARG A 72 -8.911 -11.884 22.177 1.00 51.40 C ATOM 1166 CD ARG A 72 -9.668 -12.151 20.879 1.00 63.34 C ATOM 1167 NE ARG A 72 -9.453 -13.509 20.385 1.00 20.11 N ATOM 1168 CZ ARG A 72 -9.556 -13.862 19.131 1.00 40.30 C ATOM 1169 NH1 ARG A 72 -9.801 -12.983 18.212 1.00 25.34 N1+ ATOM 1170 NH2 ARG A 72 -9.405 -15.100 18.793 1.00 71.12 N ATOM 0 H ARG A 72 -9.658 -8.408 23.960 1.00 15.54 H new ATOM 0 HA ARG A 72 -8.594 -10.941 24.768 1.00 45.31 H new ATOM 0 HB2 ARG A 72 -10.325 -10.485 22.971 1.00 14.52 H new ATOM 0 HB3 ARG A 72 -9.064 -9.756 21.996 1.00 14.52 H new ATOM 0 HG2 ARG A 72 -7.838 -11.942 21.992 1.00 51.40 H new ATOM 0 HG3 ARG A 72 -9.151 -12.658 22.905 1.00 51.40 H new ATOM 0 HD2 ARG A 72 -10.734 -11.990 21.042 1.00 63.34 H new ATOM 0 HD3 ARG A 72 -9.350 -11.436 20.121 1.00 63.34 H new ATOM 0 HE ARG A 72 -9.206 -14.229 21.064 1.00 20.11 H new ATOM 0 HH11 ARG A 72 -9.916 -12.001 18.463 1.00 25.34 H new ATOM 0 HH12 ARG A 72 -9.879 -13.273 17.237 1.00 25.34 H new ATOM 0 HH21 ARG A 72 -9.205 -15.802 19.505 1.00 71.12 H new ATOM 0 HH22 ARG A 72 -9.486 -15.375 17.814 1.00 71.12 H new ATOM 1184 N ALA A 73 -6.595 -8.815 23.270 1.00 13.20 N ATOM 1185 CA ALA A 73 -5.216 -8.523 22.867 1.00 14.04 C ATOM 1186 C ALA A 73 -4.214 -8.724 24.014 1.00 0.45 C ATOM 1187 O ALA A 73 -3.059 -9.078 23.776 1.00 43.43 O ATOM 1188 CB ALA A 73 -5.119 -7.099 22.329 1.00 75.31 C ATOM 0 H ALA A 73 -7.227 -8.020 23.179 1.00 13.20 H new ATOM 0 HA ALA A 73 -4.952 -9.232 22.082 1.00 14.04 H new ATOM 0 HB1 ALA A 73 -4.091 -6.891 22.032 1.00 75.31 H new ATOM 0 HB2 ALA A 73 -5.775 -6.991 21.465 1.00 75.31 H new ATOM 0 HB3 ALA A 73 -5.422 -6.396 23.105 1.00 75.31 H new ATOM 1194 N LYS A 74 -4.661 -8.510 25.252 1.00 32.22 N ATOM 1195 CA LYS A 74 -3.775 -8.578 26.427 1.00 25.35 C ATOM 1196 C LYS A 74 -2.983 -9.900 26.448 1.00 62.24 C ATOM 1197 O LYS A 74 -1.790 -9.912 26.766 1.00 62.54 O ATOM 1198 CB LYS A 74 -4.616 -8.427 27.714 1.00 51.31 C ATOM 1199 CG LYS A 74 -3.816 -8.205 29.009 1.00 72.42 C ATOM 1200 CD LYS A 74 -3.142 -9.480 29.528 1.00 73.42 C ATOM 1201 CE LYS A 74 -2.426 -9.251 30.856 1.00 60.30 C ATOM 1202 NZ LYS A 74 -3.380 -8.984 31.966 1.00 54.14 N1+ ATOM 0 H LYS A 74 -5.632 -8.287 25.473 1.00 32.22 H new ATOM 0 HA LYS A 74 -3.053 -7.763 26.371 1.00 25.35 H new ATOM 0 HB2 LYS A 74 -5.301 -7.589 27.583 1.00 51.31 H new ATOM 0 HB3 LYS A 74 -5.227 -9.322 27.834 1.00 51.31 H new ATOM 0 HG2 LYS A 74 -3.055 -7.445 28.832 1.00 72.42 H new ATOM 0 HG3 LYS A 74 -4.483 -7.815 29.778 1.00 72.42 H new ATOM 0 HD2 LYS A 74 -3.892 -10.262 29.651 1.00 73.42 H new ATOM 0 HD3 LYS A 74 -2.426 -9.838 28.788 1.00 73.42 H new ATOM 0 HE2 LYS A 74 -1.824 -10.127 31.099 1.00 60.30 H new ATOM 0 HE3 LYS A 74 -1.740 -8.410 30.757 1.00 60.30 H new ATOM 0 HZ1 LYS A 74 -2.871 -9.002 32.873 1.00 54.14 H new ATOM 0 HZ2 LYS A 74 -3.816 -8.049 31.832 1.00 54.14 H new ATOM 0 HZ3 LYS A 74 -4.121 -9.714 31.970 1.00 54.14 H new ATOM 1216 N LYS A 75 -3.637 -11.004 26.091 1.00 43.15 N ATOM 1217 CA LYS A 75 -2.961 -12.303 26.017 1.00 25.03 C ATOM 1218 C LYS A 75 -1.823 -12.264 24.969 1.00 61.44 C ATOM 1219 O LYS A 75 -0.739 -12.808 25.190 1.00 3.42 O ATOM 1220 CB LYS A 75 -3.978 -13.413 25.673 1.00 53.01 C ATOM 1221 CG LYS A 75 -3.687 -14.770 26.323 1.00 73.41 C ATOM 1222 CD LYS A 75 -2.328 -15.337 25.922 1.00 33.22 C ATOM 1223 CE LYS A 75 -2.020 -16.647 26.636 1.00 74.53 C ATOM 1224 NZ LYS A 75 -0.673 -17.159 26.280 1.00 75.30 N1+ ATOM 0 H LYS A 75 -4.628 -11.028 25.849 1.00 43.15 H new ATOM 0 HA LYS A 75 -2.521 -12.523 26.990 1.00 25.03 H new ATOM 0 HB2 LYS A 75 -4.971 -13.084 25.978 1.00 53.01 H new ATOM 0 HB3 LYS A 75 -4.003 -13.541 24.591 1.00 53.01 H new ATOM 0 HG2 LYS A 75 -3.726 -14.665 27.407 1.00 73.41 H new ATOM 0 HG3 LYS A 75 -4.468 -15.477 26.043 1.00 73.41 H new ATOM 0 HD2 LYS A 75 -2.307 -15.498 24.844 1.00 33.22 H new ATOM 0 HD3 LYS A 75 -1.550 -14.609 26.151 1.00 33.22 H new ATOM 0 HE2 LYS A 75 -2.080 -16.497 27.714 1.00 74.53 H new ATOM 0 HE3 LYS A 75 -2.773 -17.390 26.375 1.00 74.53 H new ATOM 0 HZ1 LYS A 75 -0.702 -18.197 26.215 1.00 75.30 H new ATOM 0 HZ2 LYS A 75 -0.382 -16.762 25.364 1.00 75.30 H new ATOM 0 HZ3 LYS A 75 0.010 -16.877 27.012 1.00 75.30 H new ATOM 1238 N LEU A 76 -2.072 -11.591 23.844 1.00 50.21 N ATOM 1239 CA LEU A 76 -1.096 -11.502 22.745 1.00 15.31 C ATOM 1240 C LEU A 76 0.149 -10.696 23.163 1.00 54.20 C ATOM 1241 O LEU A 76 1.279 -11.119 22.920 1.00 31.15 O ATOM 1242 CB LEU A 76 -1.768 -10.873 21.503 1.00 70.33 C ATOM 1243 CG LEU A 76 -0.988 -10.959 20.165 1.00 21.55 C ATOM 1244 CD1 LEU A 76 -1.928 -10.726 18.983 1.00 1.25 C ATOM 1245 CD2 LEU A 76 0.166 -9.953 20.115 1.00 65.53 C ATOM 0 H LEU A 76 -2.945 -11.095 23.665 1.00 50.21 H new ATOM 0 HA LEU A 76 -0.761 -12.509 22.497 1.00 15.31 H new ATOM 0 HB2 LEU A 76 -2.737 -11.352 21.362 1.00 70.33 H new ATOM 0 HB3 LEU A 76 -1.960 -9.822 21.717 1.00 70.33 H new ATOM 0 HG LEU A 76 -0.565 -11.962 20.100 1.00 21.55 H new ATOM 0 HD11 LEU A 76 -1.365 -10.790 18.052 1.00 1.25 H new ATOM 0 HD12 LEU A 76 -2.711 -11.484 18.986 1.00 1.25 H new ATOM 0 HD13 LEU A 76 -2.380 -9.738 19.067 1.00 1.25 H new ATOM 0 HD21 LEU A 76 0.688 -10.045 19.162 1.00 65.53 H new ATOM 0 HD22 LEU A 76 -0.228 -8.942 20.217 1.00 65.53 H new ATOM 0 HD23 LEU A 76 0.861 -10.156 20.930 1.00 65.53 H new ATOM 1257 N LEU A 77 -0.061 -9.542 23.800 1.00 2.30 N ATOM 1258 CA LEU A 77 1.051 -8.666 24.212 1.00 42.43 C ATOM 1259 C LEU A 77 2.062 -9.391 25.119 1.00 45.43 C ATOM 1260 O LEU A 77 3.259 -9.097 25.086 1.00 31.31 O ATOM 1261 CB LEU A 77 0.525 -7.403 24.920 1.00 41.42 C ATOM 1262 CG LEU A 77 -0.043 -6.300 24.001 1.00 4.23 C ATOM 1263 CD1 LEU A 77 0.982 -5.892 22.947 1.00 22.11 C ATOM 1264 CD2 LEU A 77 -1.347 -6.736 23.341 1.00 32.42 C ATOM 0 H LEU A 77 -0.986 -9.188 24.044 1.00 2.30 H new ATOM 0 HA LEU A 77 1.572 -8.375 23.300 1.00 42.43 H new ATOM 0 HB2 LEU A 77 -0.254 -7.701 25.621 1.00 41.42 H new ATOM 0 HB3 LEU A 77 1.337 -6.976 25.509 1.00 41.42 H new ATOM 0 HG LEU A 77 -0.261 -5.434 24.625 1.00 4.23 H new ATOM 0 HD11 LEU A 77 0.560 -5.114 22.311 1.00 22.11 H new ATOM 0 HD12 LEU A 77 1.878 -5.513 23.438 1.00 22.11 H new ATOM 0 HD13 LEU A 77 1.241 -6.758 22.338 1.00 22.11 H new ATOM 0 HD21 LEU A 77 -1.717 -5.934 22.702 1.00 32.42 H new ATOM 0 HD22 LEU A 77 -1.170 -7.627 22.739 1.00 32.42 H new ATOM 0 HD23 LEU A 77 -2.087 -6.958 24.110 1.00 32.42 H new ATOM 1276 N ARG A 78 1.577 -10.335 25.927 1.00 40.23 N ATOM 1277 CA ARG A 78 2.452 -11.115 26.815 1.00 44.32 C ATOM 1278 C ARG A 78 3.543 -11.853 26.015 1.00 42.41 C ATOM 1279 O ARG A 78 4.645 -12.091 26.513 1.00 20.04 O ATOM 1280 CB ARG A 78 1.620 -12.113 27.635 1.00 75.33 C ATOM 1281 CG ARG A 78 0.503 -11.456 28.444 1.00 41.33 C ATOM 1282 CD ARG A 78 -0.273 -12.472 29.277 1.00 54.10 C ATOM 1283 NE ARG A 78 0.548 -13.071 30.326 1.00 73.22 N ATOM 1284 CZ ARG A 78 0.218 -14.140 31.001 1.00 54.50 C ATOM 1285 NH1 ARG A 78 -0.910 -14.738 30.789 1.00 74.31 N1+ ATOM 1286 NH2 ARG A 78 1.015 -14.590 31.914 1.00 21.04 N ATOM 0 H ARG A 78 0.589 -10.580 25.988 1.00 40.23 H new ATOM 0 HA ARG A 78 2.948 -10.423 27.496 1.00 44.32 H new ATOM 0 HB2 ARG A 78 1.184 -12.850 26.961 1.00 75.33 H new ATOM 0 HB3 ARG A 78 2.280 -12.653 28.314 1.00 75.33 H new ATOM 0 HG2 ARG A 78 0.929 -10.698 29.101 1.00 41.33 H new ATOM 0 HG3 ARG A 78 -0.181 -10.943 27.768 1.00 41.33 H new ATOM 0 HD2 ARG A 78 -1.137 -11.984 29.729 1.00 54.10 H new ATOM 0 HD3 ARG A 78 -0.655 -13.257 28.625 1.00 54.10 H new ATOM 0 HE ARG A 78 1.438 -12.625 30.546 1.00 73.22 H new ATOM 0 HH11 ARG A 78 -1.555 -14.376 30.087 1.00 74.31 H new ATOM 0 HH12 ARG A 78 -1.154 -15.572 31.324 1.00 74.31 H new ATOM 0 HH21 ARG A 78 1.895 -14.111 32.104 1.00 21.04 H new ATOM 0 HH22 ARG A 78 0.763 -15.424 32.445 1.00 21.04 H new ATOM 1300 N SER A 79 3.230 -12.185 24.761 1.00 42.33 N ATOM 1301 CA SER A 79 4.180 -12.860 23.861 1.00 44.45 C ATOM 1302 C SER A 79 5.416 -11.987 23.570 1.00 54.40 C ATOM 1303 O SER A 79 6.456 -12.494 23.155 1.00 32.41 O ATOM 1304 CB SER A 79 3.492 -13.240 22.542 1.00 11.50 C ATOM 1305 OG SER A 79 2.344 -14.050 22.770 1.00 70.21 O ATOM 0 H SER A 79 2.320 -11.998 24.339 1.00 42.33 H new ATOM 0 HA SER A 79 4.518 -13.763 24.368 1.00 44.45 H new ATOM 0 HB2 SER A 79 3.201 -12.336 22.008 1.00 11.50 H new ATOM 0 HB3 SER A 79 4.195 -13.775 21.904 1.00 11.50 H new ATOM 0 HG SER A 79 1.558 -13.477 22.893 1.00 70.21 H new ATOM 1311 N TRP A 80 5.286 -10.672 23.751 1.00 23.43 N ATOM 1312 CA TRP A 80 6.426 -9.747 23.608 1.00 74.33 C ATOM 1313 C TRP A 80 7.120 -9.535 24.959 1.00 32.51 C ATOM 1314 O TRP A 80 8.345 -9.440 25.049 1.00 34.25 O ATOM 1315 CB TRP A 80 5.962 -8.376 23.087 1.00 23.33 C ATOM 1316 CG TRP A 80 5.085 -8.413 21.867 1.00 70.00 C ATOM 1317 CD1 TRP A 80 4.747 -9.496 21.103 1.00 73.13 C ATOM 1318 CD2 TRP A 80 4.431 -7.289 21.275 1.00 30.10 C ATOM 1319 NE1 TRP A 80 3.914 -9.108 20.082 1.00 62.11 N ATOM 1320 CE2 TRP A 80 3.709 -7.758 20.166 1.00 23.32 C ATOM 1321 CE3 TRP A 80 4.387 -5.926 21.583 1.00 53.02 C ATOM 1322 CZ2 TRP A 80 2.950 -6.913 19.364 1.00 70.13 C ATOM 1323 CZ3 TRP A 80 3.634 -5.087 20.784 1.00 21.03 C ATOM 1324 CH2 TRP A 80 2.923 -5.584 19.687 1.00 51.11 C ATOM 0 H TRP A 80 4.406 -10.218 23.997 1.00 23.43 H new ATOM 0 HA TRP A 80 7.119 -10.195 22.896 1.00 74.33 H new ATOM 0 HB2 TRP A 80 5.423 -7.866 23.886 1.00 23.33 H new ATOM 0 HB3 TRP A 80 6.843 -7.775 22.862 1.00 23.33 H new ATOM 0 HD1 TRP A 80 5.085 -10.507 21.277 1.00 73.13 H new ATOM 0 HE1 TRP A 80 3.513 -9.726 19.376 1.00 62.11 H new ATOM 0 HE3 TRP A 80 4.932 -5.536 22.430 1.00 53.02 H new ATOM 0 HZ2 TRP A 80 2.401 -7.293 18.515 1.00 70.13 H new ATOM 0 HZ3 TRP A 80 3.594 -4.032 21.010 1.00 21.03 H new ATOM 0 HH2 TRP A 80 2.341 -4.905 19.082 1.00 51.11 H new ATOM 1335 N GLN A 81 6.313 -9.473 26.010 1.00 62.11 N ATOM 1336 CA GLN A 81 6.787 -9.124 27.350 1.00 22.52 C ATOM 1337 C GLN A 81 7.643 -10.230 27.995 1.00 4.25 C ATOM 1338 O GLN A 81 8.394 -9.965 28.931 1.00 53.11 O ATOM 1339 CB GLN A 81 5.590 -8.785 28.251 1.00 30.11 C ATOM 1340 CG GLN A 81 4.706 -7.664 27.699 1.00 12.42 C ATOM 1341 CD GLN A 81 5.457 -6.353 27.494 1.00 64.00 C ATOM 1342 OE1 GLN A 81 6.403 -6.042 28.210 1.00 34.14 O ATOM 1343 NE2 GLN A 81 5.048 -5.573 26.510 1.00 53.31 N ATOM 0 H GLN A 81 5.312 -9.662 25.962 1.00 62.11 H new ATOM 0 HA GLN A 81 7.434 -8.254 27.244 1.00 22.52 H new ATOM 0 HB2 GLN A 81 4.984 -9.680 28.388 1.00 30.11 H new ATOM 0 HB3 GLN A 81 5.957 -8.495 29.235 1.00 30.11 H new ATOM 0 HG2 GLN A 81 4.278 -7.982 26.749 1.00 12.42 H new ATOM 0 HG3 GLN A 81 3.874 -7.496 28.383 1.00 12.42 H new ATOM 0 HE21 GLN A 81 4.258 -5.856 25.930 1.00 53.31 H new ATOM 0 HE22 GLN A 81 5.522 -4.688 26.330 1.00 53.31 H new ATOM 1352 N LYS A 82 7.546 -11.465 27.498 1.00 13.50 N ATOM 1353 CA LYS A 82 8.258 -12.593 28.125 1.00 2.12 C ATOM 1354 C LYS A 82 9.794 -12.409 28.112 1.00 41.31 C ATOM 1355 O LYS A 82 10.524 -13.194 28.719 1.00 62.04 O ATOM 1356 CB LYS A 82 7.877 -13.935 27.474 1.00 71.13 C ATOM 1357 CG LYS A 82 8.731 -14.350 26.276 1.00 60.14 C ATOM 1358 CD LYS A 82 8.474 -13.497 25.045 1.00 35.24 C ATOM 1359 CE LYS A 82 9.275 -13.999 23.850 1.00 45.21 C ATOM 1360 NZ LYS A 82 8.895 -13.307 22.593 1.00 22.03 N1+ ATOM 0 H LYS A 82 6.993 -11.713 26.678 1.00 13.50 H new ATOM 0 HA LYS A 82 7.939 -12.608 29.167 1.00 2.12 H new ATOM 0 HB2 LYS A 82 7.939 -14.717 28.231 1.00 71.13 H new ATOM 0 HB3 LYS A 82 6.836 -13.882 27.155 1.00 71.13 H new ATOM 0 HG2 LYS A 82 9.785 -14.282 26.546 1.00 60.14 H new ATOM 0 HG3 LYS A 82 8.530 -15.394 26.037 1.00 60.14 H new ATOM 0 HD2 LYS A 82 7.411 -13.511 24.805 1.00 35.24 H new ATOM 0 HD3 LYS A 82 8.740 -12.461 25.255 1.00 35.24 H new ATOM 0 HE2 LYS A 82 10.338 -13.850 24.038 1.00 45.21 H new ATOM 0 HE3 LYS A 82 9.119 -15.072 23.734 1.00 45.21 H new ATOM 0 HZ1 LYS A 82 9.191 -13.881 21.778 1.00 22.03 H new ATOM 0 HZ2 LYS A 82 7.864 -13.175 22.567 1.00 22.03 H new ATOM 0 HZ3 LYS A 82 9.364 -12.379 22.552 1.00 22.03 H new ATOM 1374 N LEU A 83 10.284 -11.375 27.427 1.00 50.15 N ATOM 1375 CA LEU A 83 11.715 -11.038 27.464 1.00 62.01 C ATOM 1376 C LEU A 83 12.157 -10.594 28.875 1.00 35.15 C ATOM 1377 O LEU A 83 13.346 -10.624 29.199 1.00 21.25 O ATOM 1378 CB LEU A 83 12.044 -9.940 26.434 1.00 71.15 C ATOM 1379 CG LEU A 83 12.262 -10.410 24.981 1.00 3.34 C ATOM 1380 CD1 LEU A 83 13.364 -11.463 24.905 1.00 43.35 C ATOM 1381 CD2 LEU A 83 10.967 -10.935 24.372 1.00 42.10 C ATOM 0 H LEU A 83 9.719 -10.758 26.843 1.00 50.15 H new ATOM 0 HA LEU A 83 12.269 -11.941 27.206 1.00 62.01 H new ATOM 0 HB2 LEU A 83 11.233 -9.211 26.440 1.00 71.15 H new ATOM 0 HB3 LEU A 83 12.943 -9.420 26.764 1.00 71.15 H new ATOM 0 HG LEU A 83 12.580 -9.546 24.398 1.00 3.34 H new ATOM 0 HD11 LEU A 83 13.497 -11.777 23.870 1.00 43.35 H new ATOM 0 HD12 LEU A 83 14.297 -11.041 25.279 1.00 43.35 H new ATOM 0 HD13 LEU A 83 13.087 -12.325 25.512 1.00 43.35 H new ATOM 0 HD21 LEU A 83 11.152 -11.259 23.348 1.00 42.10 H new ATOM 0 HD22 LEU A 83 10.604 -11.778 24.960 1.00 42.10 H new ATOM 0 HD23 LEU A 83 10.218 -10.144 24.373 1.00 42.10 H new ATOM 1393 N ILE A 84 11.201 -10.160 29.702 1.00 44.14 N ATOM 1394 CA ILE A 84 11.491 -9.774 31.095 1.00 53.45 C ATOM 1395 C ILE A 84 11.013 -10.836 32.108 1.00 62.20 C ATOM 1396 O ILE A 84 11.500 -10.888 33.239 1.00 11.34 O ATOM 1397 CB ILE A 84 10.850 -8.403 31.455 1.00 62.30 C ATOM 1398 CG1 ILE A 84 9.313 -8.485 31.423 1.00 44.24 C ATOM 1399 CG2 ILE A 84 11.349 -7.316 30.503 1.00 74.44 C ATOM 1400 CD1 ILE A 84 8.618 -7.193 31.808 1.00 3.44 C ATOM 0 H ILE A 84 10.221 -10.066 29.436 1.00 44.14 H new ATOM 0 HA ILE A 84 12.576 -9.693 31.163 1.00 53.45 H new ATOM 0 HB ILE A 84 11.151 -8.144 32.470 1.00 62.30 H new ATOM 0 HG12 ILE A 84 8.996 -8.771 30.420 1.00 44.24 H new ATOM 0 HG13 ILE A 84 8.987 -9.276 32.099 1.00 44.24 H new ATOM 0 HG21 ILE A 84 10.892 -6.363 30.768 1.00 74.44 H new ATOM 0 HG22 ILE A 84 12.433 -7.233 30.582 1.00 74.44 H new ATOM 0 HG23 ILE A 84 11.079 -7.576 29.480 1.00 74.44 H new ATOM 0 HD11 ILE A 84 7.538 -7.333 31.761 1.00 3.44 H new ATOM 0 HD12 ILE A 84 8.904 -6.914 32.822 1.00 3.44 H new ATOM 0 HD13 ILE A 84 8.912 -6.402 31.118 1.00 3.44 H new ATOM 1412 N GLU A 85 10.061 -11.679 31.696 1.00 55.34 N ATOM 1413 CA GLU A 85 9.471 -12.703 32.582 1.00 14.41 C ATOM 1414 C GLU A 85 9.150 -14.001 31.811 1.00 31.54 C ATOM 1415 O GLU A 85 8.876 -13.963 30.620 1.00 24.24 O ATOM 1416 CB GLU A 85 8.193 -12.157 33.246 1.00 41.32 C ATOM 1417 CG GLU A 85 8.447 -11.057 34.277 1.00 73.20 C ATOM 1418 CD GLU A 85 7.178 -10.553 34.950 1.00 12.21 C ATOM 1419 OE1 GLU A 85 7.123 -9.361 35.315 1.00 71.14 O ATOM 1420 OE2 GLU A 85 6.234 -11.349 35.132 1.00 10.12 O1- ATOM 0 H GLU A 85 9.677 -11.677 30.751 1.00 55.34 H new ATOM 0 HA GLU A 85 10.206 -12.941 33.351 1.00 14.41 H new ATOM 0 HB2 GLU A 85 7.531 -11.769 32.472 1.00 41.32 H new ATOM 0 HB3 GLU A 85 7.668 -12.980 33.731 1.00 41.32 H new ATOM 0 HG2 GLU A 85 9.128 -11.435 35.040 1.00 73.20 H new ATOM 0 HG3 GLU A 85 8.947 -10.221 33.789 1.00 73.20 H new ATOM 1427 N PRO A 86 9.143 -15.170 32.489 1.00 3.15 N ATOM 1428 CA PRO A 86 8.968 -16.486 31.823 1.00 64.14 C ATOM 1429 C PRO A 86 7.528 -16.766 31.322 1.00 32.53 C ATOM 1430 O PRO A 86 7.100 -17.920 31.264 1.00 62.23 O ATOM 1431 CB PRO A 86 9.351 -17.475 32.934 1.00 33.24 C ATOM 1432 CG PRO A 86 9.001 -16.767 34.199 1.00 15.14 C ATOM 1433 CD PRO A 86 9.300 -15.312 33.950 1.00 72.44 C ATOM 0 HA PRO A 86 9.569 -16.552 30.916 1.00 64.14 H new ATOM 0 HB2 PRO A 86 8.802 -18.412 32.838 1.00 33.24 H new ATOM 0 HB3 PRO A 86 10.412 -17.722 32.898 1.00 33.24 H new ATOM 0 HG2 PRO A 86 7.951 -16.913 34.451 1.00 15.14 H new ATOM 0 HG3 PRO A 86 9.586 -17.149 35.036 1.00 15.14 H new ATOM 0 HD2 PRO A 86 8.612 -14.663 34.492 1.00 72.44 H new ATOM 0 HD3 PRO A 86 10.307 -15.049 34.272 1.00 72.44 H new ATOM 1441 N ALA A 87 6.800 -15.723 30.925 1.00 2.11 N ATOM 1442 CA ALA A 87 5.423 -15.876 30.432 1.00 32.20 C ATOM 1443 C ALA A 87 5.380 -16.064 28.905 1.00 60.40 C ATOM 1444 O ALA A 87 5.017 -15.150 28.164 1.00 33.43 O ATOM 1445 CB ALA A 87 4.582 -14.670 30.839 1.00 71.15 C ATOM 0 H ALA A 87 7.137 -14.760 30.933 1.00 2.11 H new ATOM 0 HA ALA A 87 5.007 -16.775 30.886 1.00 32.20 H new ATOM 0 HB1 ALA A 87 3.564 -14.794 30.469 1.00 71.15 H new ATOM 0 HB2 ALA A 87 4.565 -14.588 31.926 1.00 71.15 H new ATOM 0 HB3 ALA A 87 5.015 -13.764 30.414 1.00 71.15 H new ATOM 1451 N HIS A 88 5.751 -17.253 28.437 1.00 12.14 N ATOM 1452 CA HIS A 88 5.785 -17.539 26.993 1.00 43.24 C ATOM 1453 C HIS A 88 4.975 -18.796 26.644 1.00 40.13 C ATOM 1454 O HIS A 88 5.242 -19.884 27.158 1.00 63.33 O ATOM 1455 CB HIS A 88 7.237 -17.685 26.504 1.00 24.32 C ATOM 1456 CG HIS A 88 8.058 -18.656 27.294 1.00 43.13 C ATOM 1457 ND1 HIS A 88 8.061 -20.011 27.053 1.00 31.04 N ATOM 1458 CD2 HIS A 88 8.915 -18.461 28.323 1.00 52.43 C ATOM 1459 CE1 HIS A 88 8.878 -20.606 27.895 1.00 64.23 C ATOM 1460 NE2 HIS A 88 9.411 -19.689 28.677 1.00 63.21 N ATOM 0 H HIS A 88 6.032 -18.035 29.028 1.00 12.14 H new ATOM 0 HA HIS A 88 5.324 -16.694 26.481 1.00 43.24 H new ATOM 0 HB2 HIS A 88 7.227 -18.000 25.461 1.00 24.32 H new ATOM 0 HB3 HIS A 88 7.719 -16.708 26.537 1.00 24.32 H new ATOM 0 HD2 HIS A 88 9.162 -17.514 28.780 1.00 52.43 H new ATOM 0 HE1 HIS A 88 9.078 -21.666 27.938 1.00 64.23 H new ATOM 0 HE2 HIS A 88 10.083 -19.864 29.424 1.00 63.21 H new ATOM 1469 N GLN A 89 3.986 -18.634 25.767 1.00 22.11 N ATOM 1470 CA GLN A 89 3.115 -19.742 25.359 1.00 63.51 C ATOM 1471 C GLN A 89 3.740 -20.592 24.239 1.00 3.23 C ATOM 1472 O GLN A 89 3.781 -21.819 24.332 1.00 22.21 O ATOM 1473 CB GLN A 89 1.757 -19.191 24.918 1.00 71.23 C ATOM 1474 CG GLN A 89 0.792 -20.251 24.403 1.00 64.05 C ATOM 1475 CD GLN A 89 -0.593 -19.692 24.138 1.00 23.33 C ATOM 1476 OE1 GLN A 89 -1.463 -19.770 25.124 1.00 11.11 O flip ATOM 1477 NE2 GLN A 89 -0.877 -19.190 23.059 1.00 71.35 N flip ATOM 0 H GLN A 89 3.765 -17.743 25.322 1.00 22.11 H new ATOM 0 HA GLN A 89 2.984 -20.398 26.219 1.00 63.51 H new ATOM 0 HB2 GLN A 89 1.296 -18.674 25.760 1.00 71.23 H new ATOM 0 HB3 GLN A 89 1.915 -18.448 24.136 1.00 71.23 H new ATOM 0 HG2 GLN A 89 1.188 -20.684 23.484 1.00 64.05 H new ATOM 0 HG3 GLN A 89 0.722 -21.059 25.131 1.00 64.05 H new ATOM 0 HE21 GLN A 89 -0.178 -19.146 22.317 1.00 71.35 H new ATOM 0 HE22 GLN A 89 -1.812 -18.815 22.901 1.00 71.35 H new ATOM 1486 N HIS A 90 4.214 -19.944 23.177 1.00 12.43 N ATOM 1487 CA HIS A 90 4.871 -20.661 22.076 1.00 1.02 C ATOM 1488 C HIS A 90 5.902 -19.776 21.360 1.00 54.14 C ATOM 1489 O HIS A 90 5.551 -18.897 20.574 1.00 3.02 O ATOM 1490 CB HIS A 90 3.836 -21.206 21.076 1.00 71.23 C ATOM 1491 CG HIS A 90 2.990 -20.161 20.409 1.00 44.11 C ATOM 1492 ND1 HIS A 90 1.855 -19.544 20.811 1.00 50.12 N flip ATOM 1493 CD2 HIS A 90 3.267 -19.658 19.159 1.00 23.14 C flip ATOM 1494 CE1 HIS A 90 1.473 -18.691 19.805 1.00 34.41 C flip ATOM 1495 NE2 HIS A 90 2.347 -18.780 18.822 1.00 22.14 N flip ATOM 0 H HIS A 90 4.159 -18.933 23.052 1.00 12.43 H new ATOM 0 HA HIS A 90 5.404 -21.506 22.512 1.00 1.02 H new ATOM 0 HB2 HIS A 90 4.360 -21.774 20.307 1.00 71.23 H new ATOM 0 HB3 HIS A 90 3.181 -21.904 21.597 1.00 71.23 H new ATOM 0 HD2 HIS A 90 4.111 -19.941 18.547 1.00 23.14 H new ATOM 0 HE1 HIS A 90 0.601 -18.053 19.817 1.00 34.41 H new ATOM 0 HE2 HIS A 90 2.315 -18.256 17.947 1.00 22.14 H new ATOM 1504 N GLU A 91 7.175 -20.015 21.651 1.00 64.43 N ATOM 1505 CA GLU A 91 8.272 -19.255 21.046 1.00 10.44 C ATOM 1506 C GLU A 91 9.337 -20.182 20.445 1.00 63.04 C ATOM 1507 O GLU A 91 9.632 -21.249 20.992 1.00 11.44 O ATOM 1508 CB GLU A 91 8.904 -18.320 22.087 1.00 11.43 C ATOM 1509 CG GLU A 91 8.076 -17.070 22.377 1.00 13.35 C ATOM 1510 CD GLU A 91 8.033 -16.114 21.191 1.00 41.12 C ATOM 1511 OE1 GLU A 91 9.045 -15.419 20.948 1.00 12.33 O ATOM 1512 OE2 GLU A 91 7.000 -16.047 20.497 1.00 62.31 O1- ATOM 0 H GLU A 91 7.479 -20.734 22.307 1.00 64.43 H new ATOM 0 HA GLU A 91 7.857 -18.658 20.234 1.00 10.44 H new ATOM 0 HB2 GLU A 91 9.050 -18.871 23.016 1.00 11.43 H new ATOM 0 HB3 GLU A 91 9.891 -18.017 21.738 1.00 11.43 H new ATOM 0 HG2 GLU A 91 7.060 -17.364 22.641 1.00 13.35 H new ATOM 0 HG3 GLU A 91 8.493 -16.554 23.242 1.00 13.35 H new ATOM 1519 N ALA A 92 9.911 -19.760 19.323 1.00 11.22 N ATOM 1520 CA ALA A 92 10.911 -20.559 18.603 1.00 14.24 C ATOM 1521 C ALA A 92 11.840 -19.666 17.759 1.00 44.22 C ATOM 1522 O ALA A 92 13.028 -19.508 18.129 1.00 38.87 O ATOM 1523 CB ALA A 92 10.219 -21.598 17.724 1.00 33.25 C ATOM 1524 OXT ALA A 92 11.368 -19.104 16.745 1.00 38.87 O ATOM 0 H ALA A 92 9.702 -18.863 18.885 1.00 11.22 H new ATOM 0 HA ALA A 92 11.528 -21.074 19.339 1.00 14.24 H new ATOM 0 HB1 ALA A 92 10.970 -22.185 17.195 1.00 33.25 H new ATOM 0 HB2 ALA A 92 9.616 -22.258 18.347 1.00 33.25 H new ATOM 0 HB3 ALA A 92 9.577 -21.094 17.002 1.00 33.25 H new TER 1530 ALA A 92