USER MOD reduce.3.24.130724 H: found=0, std=0, add=1359, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1359 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 166:sc= 1.2 (180deg=0.993) USER MOD Set 2.1: A 140 THR OG1 : rot 180:sc= -0.0611 USER MOD Set 2.2: A 154 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 123 GLN : amide:sc= 0.302 X(o=1.3,f=1.1) USER MOD Set 3.2: A 125 SER OG : rot 80:sc= 1.03 USER MOD Set 4.1: A 98 HIS : no HE2:sc= -2.73! C(o=-1.4!,f=-2.7!) USER MOD Set 4.2: A 100 SER OG : rot 165:sc= 1.35 USER MOD Set 5.1: A 47 CYS SG : rot -58:sc= 1.96 USER MOD Set 5.2: A 137 HIS : no HE2:sc= 0.0615 X(o=2,f=1.6) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.247 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.388 K(o=0.39,f=-2.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 1.81 (180deg=0.958) USER MOD Single : A 25 GLN : amide:sc= 0.00697 X(o=0.007,f=0) USER MOD Single : A 31 SER OG : rot -128:sc= 1.31 USER MOD Single : A 32 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0066) USER MOD Single : A 34 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0025) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.15) USER MOD Single : A 45 THR OG1 : rot -113:sc= 1.21 USER MOD Single : A 51 CYS SG : rot 168:sc= -0.439 USER MOD Single : A 53 THR OG1 : rot 149:sc= 1.29 USER MOD Single : A 54 THR OG1 : rot -33:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.85 (180deg=1.8) USER MOD Single : A 62 TYR OH : rot 0:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.482 (180deg=0.432) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.26) USER MOD Single : A 70 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.5) USER MOD Single : A 79 SER OG : rot 82:sc= 1.07 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0804 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= 1.83 (180deg=-0.0367) USER MOD Single : A 105 SER OG : rot 164:sc= 1.18 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 116 GLN : amide:sc= 0.713 K(o=0.71,f=-0.97) USER MOD Single : A 117 THR OG1 : rot 94:sc= 0.162 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -179:sc= 0.227 (180deg=0.184) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot -30:sc= 1.17 USER MOD Single : A 138 THR OG1 : rot -106:sc= 1.83 USER MOD Single : A 141 THR OG1 : rot -68:sc= 0.186 USER MOD Single : A 145 LYS NZ :NH3+ -176:sc= 1.93 (180deg=1.85) USER MOD Single : A 153 TYR OH : rot 60:sc= -0.322 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.903 19.349 16.674 1.00 10.27 N ATOM 2 CA GLY A 1 18.946 19.111 15.214 1.00 9.28 C ATOM 3 C GLY A 1 18.248 17.803 14.894 1.00 8.60 C ATOM 4 O GLY A 1 17.787 17.156 15.826 1.00 9.08 O ATOM 0 H1 GLY A 1 18.431 20.256 16.864 1.00 10.27 H new ATOM 0 H2 GLY A 1 18.375 18.581 17.136 1.00 10.27 H new ATOM 0 H3 GLY A 1 19.872 19.377 17.050 1.00 10.27 H new ATOM 0 HA2 GLY A 1 18.461 19.933 14.686 1.00 9.28 H new ATOM 0 HA3 GLY A 1 19.980 19.077 14.871 1.00 9.28 H new ATOM 10 N ALA A 2 18.183 17.425 13.619 1.00 7.81 N ATOM 11 CA ALA A 2 17.560 16.198 13.121 1.00 7.31 C ATOM 12 C ALA A 2 18.051 15.927 11.689 1.00 6.25 C ATOM 13 O ALA A 2 18.670 16.805 11.078 1.00 6.32 O ATOM 14 CB ALA A 2 16.030 16.332 13.191 1.00 7.79 C ATOM 0 H ALA A 2 18.581 17.991 12.870 1.00 7.81 H new ATOM 0 HA ALA A 2 17.844 15.347 13.740 1.00 7.31 H new ATOM 0 HB1 ALA A 2 15.567 15.418 12.820 1.00 7.79 H new ATOM 0 HB2 ALA A 2 15.726 16.499 14.224 1.00 7.79 H new ATOM 0 HB3 ALA A 2 15.710 17.175 12.578 1.00 7.79 H new ATOM 20 N MET A 3 17.777 14.732 11.159 1.00 5.71 N ATOM 21 CA MET A 3 18.225 14.277 9.841 1.00 4.85 C ATOM 22 C MET A 3 17.166 13.363 9.220 1.00 4.18 C ATOM 23 O MET A 3 16.487 12.622 9.931 1.00 4.61 O ATOM 24 CB MET A 3 19.551 13.496 9.952 1.00 5.38 C ATOM 25 CG MET A 3 20.742 14.286 10.515 1.00 6.07 C ATOM 26 SD MET A 3 20.868 14.352 12.324 1.00 7.35 S ATOM 27 CE MET A 3 22.459 15.201 12.451 1.00 8.07 C ATOM 0 H MET A 3 17.220 14.033 11.651 1.00 5.71 H new ATOM 0 HA MET A 3 18.378 15.155 9.214 1.00 4.85 H new ATOM 0 HB2 MET A 3 19.386 12.623 10.584 1.00 5.38 H new ATOM 0 HB3 MET A 3 19.818 13.127 8.962 1.00 5.38 H new ATOM 0 HG2 MET A 3 21.660 13.850 10.122 1.00 6.07 H new ATOM 0 HG3 MET A 3 20.687 15.307 10.137 1.00 6.07 H new ATOM 0 HE1 MET A 3 22.716 15.337 13.502 1.00 8.07 H new ATOM 0 HE2 MET A 3 23.230 14.604 11.963 1.00 8.07 H new ATOM 0 HE3 MET A 3 22.392 16.174 11.965 1.00 8.07 H new ATOM 37 N HIS A 4 17.057 13.341 7.891 1.00 3.17 N ATOM 38 CA HIS A 4 16.278 12.311 7.195 1.00 2.56 C ATOM 39 C HIS A 4 17.102 11.010 7.066 1.00 2.52 C ATOM 40 O HIS A 4 17.684 10.718 6.017 1.00 2.80 O ATOM 41 CB HIS A 4 15.744 12.861 5.858 1.00 2.49 C ATOM 42 CG HIS A 4 16.752 13.532 4.955 1.00 3.78 C ATOM 43 ND1 HIS A 4 17.901 12.960 4.467 1.00 5.10 N ATOM 44 CD2 HIS A 4 16.677 14.791 4.421 1.00 5.07 C ATOM 45 CE1 HIS A 4 18.513 13.848 3.669 1.00 6.55 C ATOM 46 NE2 HIS A 4 17.797 14.980 3.607 1.00 6.51 N ATOM 0 H HIS A 4 17.497 14.023 7.274 1.00 3.17 H new ATOM 0 HA HIS A 4 15.397 12.045 7.780 1.00 2.56 H new ATOM 0 HB2 HIS A 4 15.288 12.038 5.308 1.00 2.49 H new ATOM 0 HB3 HIS A 4 14.951 13.577 6.076 1.00 2.49 H new ATOM 0 HD1 HIS A 4 18.233 12.019 4.676 1.00 5.10 H new ATOM 0 HD2 HIS A 4 15.891 15.510 4.598 1.00 5.07 H new ATOM 0 HE1 HIS A 4 19.446 13.676 3.152 1.00 6.55 H new ATOM 55 N THR A 5 17.187 10.238 8.157 1.00 2.72 N ATOM 56 CA THR A 5 17.952 8.974 8.241 1.00 3.11 C ATOM 57 C THR A 5 17.149 7.820 7.632 1.00 2.63 C ATOM 58 O THR A 5 16.704 6.913 8.332 1.00 3.29 O ATOM 59 CB THR A 5 18.394 8.713 9.689 1.00 4.54 C ATOM 60 OG1 THR A 5 18.995 9.888 10.182 1.00 5.05 O ATOM 61 CG2 THR A 5 19.442 7.601 9.788 1.00 5.19 C ATOM 0 H THR A 5 16.716 10.475 9.030 1.00 2.72 H new ATOM 0 HA THR A 5 18.864 9.057 7.650 1.00 3.11 H new ATOM 0 HB THR A 5 17.511 8.415 10.255 1.00 4.54 H new ATOM 0 HG1 THR A 5 19.284 9.744 11.107 1.00 5.05 H new ATOM 0 HG21 THR A 5 19.721 7.456 10.832 1.00 5.19 H new ATOM 0 HG22 THR A 5 19.028 6.674 9.391 1.00 5.19 H new ATOM 0 HG23 THR A 5 20.324 7.880 9.212 1.00 5.19 H new ATOM 69 N PHE A 6 16.905 7.920 6.325 1.00 1.85 N ATOM 70 CA PHE A 6 15.907 7.146 5.575 1.00 1.84 C ATOM 71 C PHE A 6 16.332 5.687 5.270 1.00 2.30 C ATOM 72 O PHE A 6 17.409 5.249 5.693 1.00 2.83 O ATOM 73 CB PHE A 6 15.523 7.974 4.332 1.00 2.44 C ATOM 74 CG PHE A 6 16.446 7.908 3.126 1.00 2.78 C ATOM 75 CD1 PHE A 6 17.533 8.800 3.012 1.00 3.42 C ATOM 76 CD2 PHE A 6 16.190 6.996 2.084 1.00 4.06 C ATOM 77 CE1 PHE A 6 18.362 8.767 1.876 1.00 4.62 C ATOM 78 CE2 PHE A 6 17.026 6.953 0.954 1.00 5.47 C ATOM 79 CZ PHE A 6 18.110 7.839 0.847 1.00 5.65 C ATOM 0 H PHE A 6 17.419 8.571 5.731 1.00 1.85 H new ATOM 0 HA PHE A 6 15.022 6.992 6.193 1.00 1.84 H new ATOM 0 HB2 PHE A 6 14.530 7.658 4.012 1.00 2.44 H new ATOM 0 HB3 PHE A 6 15.443 9.018 4.636 1.00 2.44 H new ATOM 0 HD1 PHE A 6 17.730 9.511 3.800 1.00 3.42 H new ATOM 0 HD2 PHE A 6 15.346 6.325 2.153 1.00 4.06 H new ATOM 0 HE1 PHE A 6 19.192 9.453 1.793 1.00 4.62 H new ATOM 0 HE2 PHE A 6 16.834 6.238 0.168 1.00 5.47 H new ATOM 0 HZ PHE A 6 18.749 7.809 -0.023 1.00 5.65 H new ATOM 89 N TYR A 7 15.495 4.905 4.558 1.00 1.39 N ATOM 90 CA TYR A 7 15.816 3.499 4.221 1.00 1.29 C ATOM 91 C TYR A 7 15.031 2.842 3.063 1.00 1.34 C ATOM 92 O TYR A 7 15.385 1.722 2.686 1.00 1.41 O ATOM 93 CB TYR A 7 15.706 2.626 5.490 1.00 1.53 C ATOM 94 CG TYR A 7 16.365 1.256 5.452 1.00 1.46 C ATOM 95 CD1 TYR A 7 17.728 1.133 5.111 1.00 2.93 C ATOM 96 CD2 TYR A 7 15.633 0.110 5.821 1.00 1.96 C ATOM 97 CE1 TYR A 7 18.345 -0.131 5.098 1.00 3.76 C ATOM 98 CE2 TYR A 7 16.250 -1.155 5.828 1.00 2.33 C ATOM 99 CZ TYR A 7 17.606 -1.282 5.447 1.00 3.05 C ATOM 100 OH TYR A 7 18.194 -2.511 5.414 1.00 4.07 O ATOM 0 H TYR A 7 14.592 5.221 4.205 1.00 1.39 H new ATOM 0 HA TYR A 7 16.835 3.552 3.837 1.00 1.29 H new ATOM 0 HB2 TYR A 7 16.135 3.184 6.322 1.00 1.53 H new ATOM 0 HB3 TYR A 7 14.648 2.486 5.713 1.00 1.53 H new ATOM 0 HD1 TYR A 7 18.301 2.013 4.859 1.00 2.93 H new ATOM 0 HD2 TYR A 7 14.594 0.203 6.100 1.00 1.96 H new ATOM 0 HE1 TYR A 7 19.385 -0.221 4.821 1.00 3.76 H new ATOM 0 HE2 TYR A 7 15.688 -2.028 6.124 1.00 2.33 H new ATOM 0 HH TYR A 7 17.543 -3.192 5.684 1.00 4.07 H new ATOM 110 N GLY A 8 14.012 3.474 2.475 1.00 1.02 N ATOM 111 CA GLY A 8 13.425 2.974 1.226 1.00 0.88 C ATOM 112 C GLY A 8 14.259 3.382 0.004 1.00 0.97 C ATOM 113 O GLY A 8 15.253 4.106 0.110 1.00 1.29 O ATOM 0 H GLY A 8 13.579 4.324 2.837 1.00 1.02 H new ATOM 0 HA2 GLY A 8 13.349 1.887 1.269 1.00 0.88 H new ATOM 0 HA3 GLY A 8 12.411 3.360 1.120 1.00 0.88 H new ATOM 117 N THR A 9 13.834 2.946 -1.186 1.00 0.79 N ATOM 118 CA THR A 9 14.470 3.350 -2.454 1.00 0.85 C ATOM 119 C THR A 9 13.941 4.726 -2.837 1.00 1.10 C ATOM 120 O THR A 9 12.784 4.851 -3.238 1.00 1.09 O ATOM 121 CB THR A 9 14.219 2.356 -3.588 1.00 0.99 C ATOM 122 OG1 THR A 9 14.386 1.042 -3.123 1.00 1.15 O ATOM 123 CG2 THR A 9 15.197 2.565 -4.741 1.00 1.14 C ATOM 0 H THR A 9 13.046 2.308 -1.303 1.00 0.79 H new ATOM 0 HA THR A 9 15.549 3.374 -2.301 1.00 0.85 H new ATOM 0 HB THR A 9 13.200 2.520 -3.938 1.00 0.99 H new ATOM 0 HG1 THR A 9 14.222 0.412 -3.856 1.00 1.15 H new ATOM 0 HG21 THR A 9 14.990 1.842 -5.530 1.00 1.14 H new ATOM 0 HG22 THR A 9 15.084 3.575 -5.136 1.00 1.14 H new ATOM 0 HG23 THR A 9 16.217 2.428 -4.382 1.00 1.14 H new ATOM 131 N ARG A 10 14.763 5.766 -2.678 1.00 0.87 N ATOM 132 CA ARG A 10 14.330 7.158 -2.816 1.00 0.90 C ATOM 133 C ARG A 10 14.461 7.694 -4.240 1.00 1.36 C ATOM 134 O ARG A 10 15.494 7.553 -4.889 1.00 1.57 O ATOM 135 CB ARG A 10 15.014 8.010 -1.748 1.00 1.03 C ATOM 136 CG ARG A 10 14.438 9.431 -1.704 1.00 1.40 C ATOM 137 CD ARG A 10 14.667 10.027 -0.314 1.00 2.29 C ATOM 138 NE ARG A 10 14.408 11.479 -0.282 1.00 2.71 N ATOM 139 CZ ARG A 10 13.301 12.095 0.123 1.00 3.78 C ATOM 140 NH1 ARG A 10 12.203 11.457 0.475 1.00 4.79 N ATOM 141 NH2 ARG A 10 13.288 13.407 0.207 1.00 4.31 N ATOM 0 H ARG A 10 15.752 5.665 -2.449 1.00 0.87 H new ATOM 0 HA ARG A 10 13.256 7.212 -2.636 1.00 0.90 H new ATOM 0 HB2 ARG A 10 14.894 7.538 -0.773 1.00 1.03 H new ATOM 0 HB3 ARG A 10 16.084 8.057 -1.950 1.00 1.03 H new ATOM 0 HG2 ARG A 10 14.915 10.053 -2.462 1.00 1.40 H new ATOM 0 HG3 ARG A 10 13.372 9.411 -1.933 1.00 1.40 H new ATOM 0 HD2 ARG A 10 14.018 9.528 0.405 1.00 2.29 H new ATOM 0 HD3 ARG A 10 15.694 9.836 -0.003 1.00 2.29 H new ATOM 0 HE ARG A 10 15.165 12.080 -0.608 1.00 2.71 H new ATOM 0 HH11 ARG A 10 12.173 10.438 0.445 1.00 4.79 H new ATOM 0 HH12 ARG A 10 11.383 11.982 0.778 1.00 4.79 H new ATOM 0 HH21 ARG A 10 14.121 13.942 -0.037 1.00 4.31 H new ATOM 0 HH22 ARG A 10 12.445 13.890 0.516 1.00 4.31 H new ATOM 155 N LEU A 11 13.372 8.292 -4.734 1.00 1.06 N ATOM 156 CA LEU A 11 13.169 8.541 -6.167 1.00 1.13 C ATOM 157 C LEU A 11 13.422 10.006 -6.539 1.00 1.67 C ATOM 158 O LEU A 11 12.714 10.905 -6.093 1.00 2.32 O ATOM 159 CB LEU A 11 11.755 8.087 -6.582 1.00 0.95 C ATOM 160 CG LEU A 11 11.427 6.605 -6.291 1.00 0.95 C ATOM 161 CD1 LEU A 11 10.019 6.294 -6.814 1.00 1.02 C ATOM 162 CD2 LEU A 11 12.433 5.635 -6.930 1.00 1.06 C ATOM 0 H LEU A 11 12.603 8.619 -4.149 1.00 1.06 H new ATOM 0 HA LEU A 11 13.902 7.954 -6.721 1.00 1.13 H new ATOM 0 HB2 LEU A 11 11.025 8.712 -6.068 1.00 0.95 H new ATOM 0 HB3 LEU A 11 11.632 8.267 -7.650 1.00 0.95 H new ATOM 0 HG LEU A 11 11.485 6.462 -5.212 1.00 0.95 H new ATOM 0 HD11 LEU A 11 9.779 5.250 -6.613 1.00 1.02 H new ATOM 0 HD12 LEU A 11 9.295 6.936 -6.313 1.00 1.02 H new ATOM 0 HD13 LEU A 11 9.982 6.475 -7.888 1.00 1.02 H new ATOM 0 HD21 LEU A 11 12.151 4.609 -6.691 1.00 1.06 H new ATOM 0 HD22 LEU A 11 12.431 5.770 -8.012 1.00 1.06 H new ATOM 0 HD23 LEU A 11 13.431 5.837 -6.541 1.00 1.06 H new ATOM 174 N LEU A 12 14.433 10.219 -7.389 1.00 1.31 N ATOM 175 CA LEU A 12 14.835 11.532 -7.912 1.00 1.50 C ATOM 176 C LEU A 12 14.038 11.920 -9.169 1.00 1.70 C ATOM 177 O LEU A 12 13.810 13.104 -9.400 1.00 2.20 O ATOM 178 CB LEU A 12 16.349 11.532 -8.192 1.00 1.81 C ATOM 179 CG LEU A 12 17.219 11.763 -6.936 1.00 2.42 C ATOM 180 CD1 LEU A 12 17.190 10.603 -5.925 1.00 3.45 C ATOM 181 CD2 LEU A 12 18.662 12.006 -7.386 1.00 2.89 C ATOM 0 H LEU A 12 15.013 9.459 -7.744 1.00 1.31 H new ATOM 0 HA LEU A 12 14.610 12.285 -7.157 1.00 1.50 H new ATOM 0 HB2 LEU A 12 16.625 10.579 -8.643 1.00 1.81 H new ATOM 0 HB3 LEU A 12 16.573 12.308 -8.925 1.00 1.81 H new ATOM 0 HG LEU A 12 16.801 12.625 -6.415 1.00 2.42 H new ATOM 0 HD11 LEU A 12 17.826 10.846 -5.074 1.00 3.45 H new ATOM 0 HD12 LEU A 12 16.168 10.446 -5.581 1.00 3.45 H new ATOM 0 HD13 LEU A 12 17.555 9.694 -6.403 1.00 3.45 H new ATOM 0 HD21 LEU A 12 19.293 12.171 -6.512 1.00 2.89 H new ATOM 0 HD22 LEU A 12 19.023 11.136 -7.935 1.00 2.89 H new ATOM 0 HD23 LEU A 12 18.699 12.884 -8.032 1.00 2.89 H new ATOM 193 N ASN A 13 13.565 10.940 -9.945 1.00 1.28 N ATOM 194 CA ASN A 13 12.497 11.124 -10.932 1.00 1.47 C ATOM 195 C ASN A 13 11.194 10.498 -10.385 1.00 1.42 C ATOM 196 O ASN A 13 10.977 9.299 -10.584 1.00 1.56 O ATOM 197 CB ASN A 13 12.924 10.513 -12.279 1.00 1.82 C ATOM 198 CG ASN A 13 11.867 10.745 -13.355 1.00 2.67 C ATOM 199 OD1 ASN A 13 11.129 9.854 -13.742 1.00 3.97 O ATOM 200 ND2 ASN A 13 11.740 11.964 -13.846 1.00 3.00 N ATOM 0 H ASN A 13 13.918 9.984 -9.905 1.00 1.28 H new ATOM 0 HA ASN A 13 12.311 12.184 -11.106 1.00 1.47 H new ATOM 0 HB2 ASN A 13 13.870 10.952 -12.596 1.00 1.82 H new ATOM 0 HB3 ASN A 13 13.093 9.443 -12.158 1.00 1.82 H new ATOM 0 HD21 ASN A 13 11.026 12.159 -14.548 1.00 3.00 H new ATOM 0 HD22 ASN A 13 12.356 12.710 -13.524 1.00 3.00 H new ATOM 207 N PRO A 14 10.362 11.255 -9.643 1.00 1.18 N ATOM 208 CA PRO A 14 9.149 10.720 -9.045 1.00 1.14 C ATOM 209 C PRO A 14 8.053 10.575 -10.104 1.00 1.35 C ATOM 210 O PRO A 14 7.518 11.551 -10.627 1.00 1.47 O ATOM 211 CB PRO A 14 8.791 11.683 -7.913 1.00 1.23 C ATOM 212 CG PRO A 14 9.346 13.019 -8.402 1.00 1.30 C ATOM 213 CD PRO A 14 10.607 12.608 -9.155 1.00 1.28 C ATOM 0 HA PRO A 14 9.278 9.716 -8.642 1.00 1.14 H new ATOM 0 HB2 PRO A 14 7.714 11.730 -7.750 1.00 1.23 H new ATOM 0 HB3 PRO A 14 9.244 11.380 -6.969 1.00 1.23 H new ATOM 0 HG2 PRO A 14 8.639 13.537 -9.050 1.00 1.30 H new ATOM 0 HG3 PRO A 14 9.571 13.691 -7.574 1.00 1.30 H new ATOM 0 HD2 PRO A 14 10.808 13.290 -9.981 1.00 1.28 H new ATOM 0 HD3 PRO A 14 11.478 12.635 -8.501 1.00 1.28 H new ATOM 221 N LYS A 15 7.734 9.323 -10.433 1.00 1.03 N ATOM 222 CA LYS A 15 6.847 8.974 -11.542 1.00 1.14 C ATOM 223 C LYS A 15 5.409 9.449 -11.257 1.00 1.16 C ATOM 224 O LYS A 15 4.877 9.095 -10.205 1.00 1.19 O ATOM 225 CB LYS A 15 6.890 7.451 -11.736 1.00 1.35 C ATOM 226 CG LYS A 15 6.289 6.968 -13.070 1.00 1.54 C ATOM 227 CD LYS A 15 5.578 5.604 -13.028 1.00 2.09 C ATOM 228 CE LYS A 15 6.320 4.491 -12.273 1.00 2.41 C ATOM 229 NZ LYS A 15 5.631 3.186 -12.442 1.00 3.15 N ATOM 0 H LYS A 15 8.090 8.511 -9.929 1.00 1.03 H new ATOM 0 HA LYS A 15 7.180 9.470 -12.454 1.00 1.14 H new ATOM 0 HB2 LYS A 15 7.926 7.117 -11.675 1.00 1.35 H new ATOM 0 HB3 LYS A 15 6.353 6.976 -10.915 1.00 1.35 H new ATOM 0 HG2 LYS A 15 5.578 7.717 -13.419 1.00 1.54 H new ATOM 0 HG3 LYS A 15 7.088 6.918 -13.810 1.00 1.54 H new ATOM 0 HD2 LYS A 15 4.599 5.739 -12.569 1.00 2.09 H new ATOM 0 HD3 LYS A 15 5.407 5.272 -14.052 1.00 2.09 H new ATOM 0 HE2 LYS A 15 7.344 4.417 -12.640 1.00 2.41 H new ATOM 0 HE3 LYS A 15 6.379 4.741 -11.214 1.00 2.41 H new ATOM 0 HZ1 LYS A 15 5.831 2.579 -11.622 1.00 3.15 H new ATOM 0 HZ2 LYS A 15 4.605 3.342 -12.515 1.00 3.15 H new ATOM 0 HZ3 LYS A 15 5.973 2.722 -13.308 1.00 3.15 H new ATOM 243 N PRO A 16 4.748 10.188 -12.163 1.00 1.01 N ATOM 244 CA PRO A 16 3.345 10.557 -12.013 1.00 1.02 C ATOM 245 C PRO A 16 2.489 9.296 -12.188 1.00 1.16 C ATOM 246 O PRO A 16 2.818 8.447 -13.016 1.00 1.08 O ATOM 247 CB PRO A 16 3.094 11.632 -13.070 1.00 1.26 C ATOM 248 CG PRO A 16 4.123 11.338 -14.162 1.00 1.30 C ATOM 249 CD PRO A 16 5.270 10.618 -13.446 1.00 1.26 C ATOM 0 HA PRO A 16 3.086 10.958 -11.033 1.00 1.02 H new ATOM 0 HB2 PRO A 16 2.077 11.578 -13.458 1.00 1.26 H new ATOM 0 HB3 PRO A 16 3.226 12.633 -12.658 1.00 1.26 H new ATOM 0 HG2 PRO A 16 3.696 10.715 -14.948 1.00 1.30 H new ATOM 0 HG3 PRO A 16 4.469 12.257 -14.636 1.00 1.30 H new ATOM 0 HD2 PRO A 16 5.617 9.765 -14.029 1.00 1.26 H new ATOM 0 HD3 PRO A 16 6.124 11.283 -13.315 1.00 1.26 H new ATOM 257 N VAL A 17 1.430 9.157 -11.384 1.00 0.77 N ATOM 258 CA VAL A 17 0.611 7.934 -11.270 1.00 0.71 C ATOM 259 C VAL A 17 -0.823 8.242 -10.814 1.00 1.13 C ATOM 260 O VAL A 17 -1.059 9.192 -10.069 1.00 1.21 O ATOM 261 CB VAL A 17 1.213 6.888 -10.288 1.00 0.69 C ATOM 262 CG1 VAL A 17 2.455 6.178 -10.851 1.00 0.79 C ATOM 263 CG2 VAL A 17 1.575 7.472 -8.908 1.00 0.81 C ATOM 0 H VAL A 17 1.106 9.909 -10.776 1.00 0.77 H new ATOM 0 HA VAL A 17 0.601 7.513 -12.275 1.00 0.71 H new ATOM 0 HB VAL A 17 0.408 6.164 -10.163 1.00 0.69 H new ATOM 0 HG11 VAL A 17 2.827 5.461 -10.119 1.00 0.79 H new ATOM 0 HG12 VAL A 17 2.190 5.654 -11.769 1.00 0.79 H new ATOM 0 HG13 VAL A 17 3.230 6.914 -11.064 1.00 0.79 H new ATOM 0 HG21 VAL A 17 1.989 6.685 -8.277 1.00 0.81 H new ATOM 0 HG22 VAL A 17 2.313 8.265 -9.031 1.00 0.81 H new ATOM 0 HG23 VAL A 17 0.679 7.880 -8.439 1.00 0.81 H new ATOM 273 N ASP A 18 -1.751 7.366 -11.206 1.00 0.71 N ATOM 274 CA ASP A 18 -3.103 7.230 -10.651 1.00 0.70 C ATOM 275 C ASP A 18 -3.504 5.741 -10.692 1.00 0.99 C ATOM 276 O ASP A 18 -2.769 4.892 -11.202 1.00 1.54 O ATOM 277 CB ASP A 18 -4.108 8.150 -11.398 1.00 0.94 C ATOM 278 CG ASP A 18 -5.469 8.380 -10.699 1.00 1.18 C ATOM 279 OD1 ASP A 18 -5.647 7.989 -9.523 1.00 2.28 O ATOM 280 OD2 ASP A 18 -6.363 9.028 -11.290 1.00 1.73 O ATOM 0 H ASP A 18 -1.573 6.698 -11.956 1.00 0.71 H new ATOM 0 HA ASP A 18 -3.120 7.559 -9.612 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -3.635 9.119 -11.555 1.00 0.94 H new ATOM 0 HB3 ASP A 18 -4.296 7.724 -12.383 1.00 0.94 H new ATOM 285 N PHE A 19 -4.681 5.427 -10.158 1.00 0.69 N ATOM 286 CA PHE A 19 -5.387 4.165 -10.351 1.00 0.73 C ATOM 287 C PHE A 19 -6.879 4.363 -10.083 1.00 1.48 C ATOM 288 O PHE A 19 -7.269 5.277 -9.360 1.00 1.65 O ATOM 289 CB PHE A 19 -4.805 3.059 -9.455 1.00 0.82 C ATOM 290 CG PHE A 19 -5.007 3.226 -7.955 1.00 0.95 C ATOM 291 CD1 PHE A 19 -6.246 2.892 -7.371 1.00 2.33 C ATOM 292 CD2 PHE A 19 -3.960 3.680 -7.127 1.00 2.08 C ATOM 293 CE1 PHE A 19 -6.444 3.045 -5.989 1.00 2.32 C ATOM 294 CE2 PHE A 19 -4.147 3.783 -5.740 1.00 2.09 C ATOM 295 CZ PHE A 19 -5.393 3.483 -5.171 1.00 1.16 C ATOM 0 H PHE A 19 -5.190 6.072 -9.554 1.00 0.69 H new ATOM 0 HA PHE A 19 -5.255 3.845 -11.385 1.00 0.73 H new ATOM 0 HB2 PHE A 19 -5.246 2.109 -9.755 1.00 0.82 H new ATOM 0 HB3 PHE A 19 -3.735 2.989 -9.650 1.00 0.82 H new ATOM 0 HD1 PHE A 19 -7.047 2.516 -7.990 1.00 2.33 H new ATOM 0 HD2 PHE A 19 -3.009 3.950 -7.562 1.00 2.08 H new ATOM 0 HE1 PHE A 19 -7.408 2.825 -5.555 1.00 2.32 H new ATOM 0 HE2 PHE A 19 -3.328 4.095 -5.108 1.00 2.09 H new ATOM 0 HZ PHE A 19 -5.542 3.589 -4.107 1.00 1.16 H new ATOM 305 N ALA A 20 -7.711 3.450 -10.591 1.00 0.67 N ATOM 306 CA ALA A 20 -9.134 3.355 -10.267 1.00 0.61 C ATOM 307 C ALA A 20 -9.472 1.941 -9.768 1.00 0.81 C ATOM 308 O ALA A 20 -9.266 0.964 -10.480 1.00 0.91 O ATOM 309 CB ALA A 20 -9.944 3.736 -11.512 1.00 0.69 C ATOM 0 H ALA A 20 -7.405 2.739 -11.255 1.00 0.67 H new ATOM 0 HA ALA A 20 -9.389 4.044 -9.462 1.00 0.61 H new ATOM 0 HB1 ALA A 20 -11.009 3.670 -11.288 1.00 0.69 H new ATOM 0 HB2 ALA A 20 -9.698 4.756 -11.808 1.00 0.69 H new ATOM 0 HB3 ALA A 20 -9.702 3.053 -12.326 1.00 0.69 H new ATOM 315 N LEU A 21 -9.996 1.842 -8.546 1.00 0.62 N ATOM 316 CA LEU A 21 -10.378 0.591 -7.890 1.00 0.62 C ATOM 317 C LEU A 21 -11.764 0.715 -7.260 1.00 0.92 C ATOM 318 O LEU A 21 -12.279 1.821 -7.078 1.00 1.06 O ATOM 319 CB LEU A 21 -9.349 0.258 -6.794 1.00 0.64 C ATOM 320 CG LEU A 21 -8.591 -1.073 -6.935 1.00 0.90 C ATOM 321 CD1 LEU A 21 -9.519 -2.289 -6.846 1.00 1.37 C ATOM 322 CD2 LEU A 21 -7.776 -1.121 -8.232 1.00 1.29 C ATOM 0 H LEU A 21 -10.173 2.661 -7.964 1.00 0.62 H new ATOM 0 HA LEU A 21 -10.402 -0.203 -8.636 1.00 0.62 H new ATOM 0 HB2 LEU A 21 -8.616 1.064 -6.760 1.00 0.64 H new ATOM 0 HB3 LEU A 21 -9.865 0.255 -5.834 1.00 0.64 H new ATOM 0 HG LEU A 21 -7.904 -1.122 -6.090 1.00 0.90 H new ATOM 0 HD11 LEU A 21 -8.933 -3.202 -6.952 1.00 1.37 H new ATOM 0 HD12 LEU A 21 -10.024 -2.291 -5.880 1.00 1.37 H new ATOM 0 HD13 LEU A 21 -10.261 -2.240 -7.643 1.00 1.37 H new ATOM 0 HD21 LEU A 21 -7.254 -2.075 -8.298 1.00 1.29 H new ATOM 0 HD22 LEU A 21 -8.445 -1.013 -9.086 1.00 1.29 H new ATOM 0 HD23 LEU A 21 -7.049 -0.309 -8.235 1.00 1.29 H new ATOM 334 N GLU A 22 -12.333 -0.419 -6.867 1.00 0.67 N ATOM 335 CA GLU A 22 -13.610 -0.509 -6.177 1.00 0.64 C ATOM 336 C GLU A 22 -13.390 -0.827 -4.687 1.00 0.95 C ATOM 337 O GLU A 22 -12.398 -1.466 -4.328 1.00 1.14 O ATOM 338 CB GLU A 22 -14.477 -1.536 -6.918 1.00 0.71 C ATOM 339 CG GLU A 22 -15.908 -1.595 -6.396 1.00 1.51 C ATOM 340 CD GLU A 22 -16.560 -0.215 -6.458 1.00 3.13 C ATOM 341 OE1 GLU A 22 -16.968 0.186 -7.570 1.00 3.74 O ATOM 342 OE2 GLU A 22 -16.543 0.475 -5.415 1.00 4.69 O ATOM 0 H GLU A 22 -11.902 -1.330 -7.026 1.00 0.67 H new ATOM 0 HA GLU A 22 -14.143 0.442 -6.189 1.00 0.64 H new ATOM 0 HB2 GLU A 22 -14.493 -1.291 -7.980 1.00 0.71 H new ATOM 0 HB3 GLU A 22 -14.021 -2.522 -6.826 1.00 0.71 H new ATOM 0 HG2 GLU A 22 -16.488 -2.304 -6.987 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -15.911 -1.959 -5.369 1.00 1.51 H new ATOM 349 N GLY A 23 -14.273 -0.336 -3.810 1.00 0.63 N ATOM 350 CA GLY A 23 -14.177 -0.470 -2.347 1.00 0.55 C ATOM 351 C GLY A 23 -15.523 -0.714 -1.642 1.00 0.66 C ATOM 352 O GLY A 23 -16.567 -0.695 -2.293 1.00 0.86 O ATOM 0 H GLY A 23 -15.101 0.182 -4.105 1.00 0.63 H new ATOM 0 HA2 GLY A 23 -13.503 -1.294 -2.113 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -13.726 0.435 -1.940 1.00 0.55 H new ATOM 356 N PRO A 24 -15.537 -0.879 -0.304 1.00 0.54 N ATOM 357 CA PRO A 24 -16.741 -1.074 0.520 1.00 0.84 C ATOM 358 C PRO A 24 -17.487 0.261 0.772 1.00 1.28 C ATOM 359 O PRO A 24 -17.823 0.621 1.901 1.00 2.04 O ATOM 360 CB PRO A 24 -16.201 -1.693 1.813 1.00 0.96 C ATOM 361 CG PRO A 24 -14.906 -0.902 1.971 1.00 0.87 C ATOM 362 CD PRO A 24 -14.358 -0.918 0.550 1.00 0.58 C ATOM 0 HA PRO A 24 -17.484 -1.710 0.038 1.00 0.84 H new ATOM 0 HB2 PRO A 24 -16.879 -1.554 2.655 1.00 0.96 H new ATOM 0 HB3 PRO A 24 -16.025 -2.765 1.719 1.00 0.96 H new ATOM 0 HG2 PRO A 24 -15.087 0.112 2.328 1.00 0.87 H new ATOM 0 HG3 PRO A 24 -14.223 -1.372 2.678 1.00 0.87 H new ATOM 0 HD2 PRO A 24 -13.708 -0.062 0.367 1.00 0.58 H new ATOM 0 HD3 PRO A 24 -13.765 -1.814 0.365 1.00 0.58 H new ATOM 370 N GLN A 25 -17.681 1.055 -0.281 1.00 0.88 N ATOM 371 CA GLN A 25 -18.186 2.432 -0.199 1.00 1.19 C ATOM 372 C GLN A 25 -18.658 2.980 -1.555 1.00 1.18 C ATOM 373 O GLN A 25 -19.564 3.809 -1.588 1.00 1.47 O ATOM 374 CB GLN A 25 -17.068 3.332 0.375 1.00 1.70 C ATOM 375 CG GLN A 25 -17.597 4.590 1.089 1.00 2.48 C ATOM 376 CD GLN A 25 -17.547 4.506 2.619 1.00 2.55 C ATOM 377 OE1 GLN A 25 -17.028 5.379 3.293 1.00 3.07 O ATOM 378 NE2 GLN A 25 -18.057 3.470 3.256 1.00 3.08 N ATOM 0 H GLN A 25 -17.488 0.756 -1.237 1.00 0.88 H new ATOM 0 HA GLN A 25 -19.060 2.430 0.453 1.00 1.19 H new ATOM 0 HB2 GLN A 25 -16.469 2.751 1.076 1.00 1.70 H new ATOM 0 HB3 GLN A 25 -16.405 3.636 -0.435 1.00 1.70 H new ATOM 0 HG2 GLN A 25 -17.015 5.452 0.763 1.00 2.48 H new ATOM 0 HG3 GLN A 25 -18.627 4.765 0.778 1.00 2.48 H new ATOM 0 HE21 GLN A 25 -18.501 2.716 2.731 1.00 3.08 H new ATOM 0 HE22 GLN A 25 -18.008 3.422 4.274 1.00 3.08 H new ATOM 387 N GLY A 26 -18.043 2.517 -2.649 1.00 0.90 N ATOM 388 CA GLY A 26 -18.069 3.098 -3.990 1.00 0.93 C ATOM 389 C GLY A 26 -16.631 3.257 -4.521 1.00 1.03 C ATOM 390 O GLY A 26 -15.685 3.202 -3.725 1.00 1.31 O ATOM 0 H GLY A 26 -17.477 1.669 -2.615 1.00 0.90 H new ATOM 0 HA2 GLY A 26 -18.645 2.461 -4.661 1.00 0.93 H new ATOM 0 HA3 GLY A 26 -18.566 4.068 -3.966 1.00 0.93 H new ATOM 394 N PRO A 27 -16.435 3.463 -5.837 1.00 0.81 N ATOM 395 CA PRO A 27 -15.118 3.369 -6.459 1.00 0.92 C ATOM 396 C PRO A 27 -14.199 4.545 -6.107 1.00 1.09 C ATOM 397 O PRO A 27 -14.587 5.713 -6.175 1.00 1.14 O ATOM 398 CB PRO A 27 -15.365 3.218 -7.962 1.00 1.00 C ATOM 399 CG PRO A 27 -16.757 3.822 -8.165 1.00 1.00 C ATOM 400 CD PRO A 27 -17.473 3.505 -6.855 1.00 0.81 C ATOM 0 HA PRO A 27 -14.572 2.507 -6.075 1.00 0.92 H new ATOM 0 HB2 PRO A 27 -14.611 3.745 -8.546 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -15.334 2.173 -8.270 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -16.707 4.896 -8.346 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -17.267 3.378 -9.020 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -18.218 4.266 -6.623 1.00 0.81 H new ATOM 0 HD3 PRO A 27 -17.999 2.552 -6.917 1.00 0.81 H new ATOM 408 N VAL A 28 -12.948 4.213 -5.784 1.00 0.70 N ATOM 409 CA VAL A 28 -11.904 5.092 -5.228 1.00 0.72 C ATOM 410 C VAL A 28 -10.749 5.205 -6.230 1.00 0.93 C ATOM 411 O VAL A 28 -10.470 4.269 -6.982 1.00 0.88 O ATOM 412 CB VAL A 28 -11.392 4.539 -3.867 1.00 0.86 C ATOM 413 CG1 VAL A 28 -10.266 5.395 -3.257 1.00 1.23 C ATOM 414 CG2 VAL A 28 -12.523 4.435 -2.830 1.00 1.61 C ATOM 0 H VAL A 28 -12.609 3.259 -5.910 1.00 0.70 H new ATOM 0 HA VAL A 28 -12.325 6.082 -5.052 1.00 0.72 H new ATOM 0 HB VAL A 28 -11.000 3.548 -4.097 1.00 0.86 H new ATOM 0 HG11 VAL A 28 -9.951 4.959 -2.309 1.00 1.23 H new ATOM 0 HG12 VAL A 28 -9.419 5.424 -3.943 1.00 1.23 H new ATOM 0 HG13 VAL A 28 -10.630 6.408 -3.087 1.00 1.23 H new ATOM 0 HG21 VAL A 28 -12.124 4.045 -1.894 1.00 1.61 H new ATOM 0 HG22 VAL A 28 -12.951 5.423 -2.658 1.00 1.61 H new ATOM 0 HG23 VAL A 28 -13.297 3.764 -3.202 1.00 1.61 H new ATOM 424 N ARG A 29 -10.082 6.363 -6.256 1.00 0.73 N ATOM 425 CA ARG A 29 -8.915 6.618 -7.113 1.00 0.69 C ATOM 426 C ARG A 29 -7.778 7.271 -6.329 1.00 1.15 C ATOM 427 O ARG A 29 -8.042 7.989 -5.363 1.00 1.36 O ATOM 428 CB ARG A 29 -9.290 7.542 -8.287 1.00 0.77 C ATOM 429 CG ARG A 29 -10.167 6.866 -9.352 1.00 0.99 C ATOM 430 CD ARG A 29 -11.151 7.840 -10.023 1.00 1.49 C ATOM 431 NE ARG A 29 -12.522 7.289 -10.032 1.00 3.15 N ATOM 432 CZ ARG A 29 -13.278 7.063 -8.957 1.00 4.86 C ATOM 433 NH1 ARG A 29 -12.925 7.438 -7.747 1.00 5.56 N ATOM 434 NH2 ARG A 29 -14.423 6.429 -9.059 1.00 6.59 N ATOM 0 H ARG A 29 -10.339 7.161 -5.676 1.00 0.73 H new ATOM 0 HA ARG A 29 -8.583 5.651 -7.491 1.00 0.69 H new ATOM 0 HB2 ARG A 29 -9.815 8.414 -7.897 1.00 0.77 H new ATOM 0 HB3 ARG A 29 -8.376 7.904 -8.758 1.00 0.77 H new ATOM 0 HG2 ARG A 29 -9.527 6.422 -10.114 1.00 0.99 H new ATOM 0 HG3 ARG A 29 -10.727 6.052 -8.891 1.00 0.99 H new ATOM 0 HD2 ARG A 29 -11.142 8.793 -9.494 1.00 1.49 H new ATOM 0 HD3 ARG A 29 -10.829 8.040 -11.045 1.00 1.49 H new ATOM 0 HE ARG A 29 -12.926 7.061 -10.941 1.00 3.15 H new ATOM 0 HH11 ARG A 29 -12.040 7.924 -7.601 1.00 5.56 H new ATOM 0 HH12 ARG A 29 -13.536 7.243 -6.954 1.00 5.56 H new ATOM 0 HH21 ARG A 29 -14.745 6.102 -9.970 1.00 6.59 H new ATOM 0 HH22 ARG A 29 -14.990 6.264 -8.228 1.00 6.59 H new ATOM 448 N LEU A 30 -6.536 7.115 -6.793 1.00 0.59 N ATOM 449 CA LEU A 30 -5.384 7.849 -6.249 1.00 0.62 C ATOM 450 C LEU A 30 -5.575 9.368 -6.417 1.00 1.01 C ATOM 451 O LEU A 30 -5.204 10.144 -5.546 1.00 1.16 O ATOM 452 CB LEU A 30 -4.103 7.394 -6.968 1.00 0.70 C ATOM 453 CG LEU A 30 -2.878 7.146 -6.077 1.00 0.94 C ATOM 454 CD1 LEU A 30 -1.689 6.879 -7.005 1.00 2.36 C ATOM 455 CD2 LEU A 30 -2.545 8.292 -5.117 1.00 1.74 C ATOM 0 H LEU A 30 -6.298 6.479 -7.554 1.00 0.59 H new ATOM 0 HA LEU A 30 -5.300 7.634 -5.184 1.00 0.62 H new ATOM 0 HB2 LEU A 30 -4.323 6.475 -7.512 1.00 0.70 H new ATOM 0 HB3 LEU A 30 -3.840 8.148 -7.710 1.00 0.70 H new ATOM 0 HG LEU A 30 -3.104 6.297 -5.431 1.00 0.94 H new ATOM 0 HD11 LEU A 30 -0.795 6.697 -6.408 1.00 2.36 H new ATOM 0 HD12 LEU A 30 -1.898 6.005 -7.621 1.00 2.36 H new ATOM 0 HD13 LEU A 30 -1.527 7.745 -7.647 1.00 2.36 H new ATOM 0 HD21 LEU A 30 -1.666 8.029 -4.528 1.00 1.74 H new ATOM 0 HD22 LEU A 30 -2.342 9.198 -5.688 1.00 1.74 H new ATOM 0 HD23 LEU A 30 -3.390 8.466 -4.451 1.00 1.74 H new ATOM 467 N SER A 31 -6.219 9.795 -7.501 1.00 0.77 N ATOM 468 CA SER A 31 -6.549 11.197 -7.788 1.00 0.96 C ATOM 469 C SER A 31 -7.496 11.865 -6.774 1.00 1.18 C ATOM 470 O SER A 31 -7.636 13.084 -6.824 1.00 1.58 O ATOM 471 CB SER A 31 -7.078 11.343 -9.227 1.00 1.15 C ATOM 472 OG SER A 31 -7.944 10.291 -9.624 1.00 1.55 O ATOM 0 H SER A 31 -6.538 9.157 -8.230 1.00 0.77 H new ATOM 0 HA SER A 31 -5.611 11.742 -7.685 1.00 0.96 H new ATOM 0 HB2 SER A 31 -7.608 12.291 -9.316 1.00 1.15 H new ATOM 0 HB3 SER A 31 -6.232 11.385 -9.913 1.00 1.15 H new ATOM 0 HG SER A 31 -7.631 9.912 -10.472 1.00 1.55 H new ATOM 478 N GLN A 32 -8.093 11.145 -5.813 1.00 0.85 N ATOM 479 CA GLN A 32 -8.771 11.784 -4.673 1.00 0.96 C ATOM 480 C GLN A 32 -7.845 12.019 -3.460 1.00 1.32 C ATOM 481 O GLN A 32 -8.288 12.582 -2.463 1.00 1.43 O ATOM 482 CB GLN A 32 -10.061 11.023 -4.324 1.00 1.14 C ATOM 483 CG GLN A 32 -9.889 9.821 -3.378 1.00 1.78 C ATOM 484 CD GLN A 32 -10.598 10.035 -2.037 1.00 3.22 C ATOM 485 OE1 GLN A 32 -11.560 9.360 -1.712 1.00 4.51 O ATOM 486 NE2 GLN A 32 -10.211 11.004 -1.232 1.00 3.98 N ATOM 0 H GLN A 32 -8.121 10.125 -5.801 1.00 0.85 H new ATOM 0 HA GLN A 32 -9.058 12.789 -4.981 1.00 0.96 H new ATOM 0 HB2 GLN A 32 -10.763 11.723 -3.870 1.00 1.14 H new ATOM 0 HB3 GLN A 32 -10.516 10.671 -5.250 1.00 1.14 H new ATOM 0 HG2 GLN A 32 -10.283 8.925 -3.857 1.00 1.78 H new ATOM 0 HG3 GLN A 32 -8.827 9.648 -3.202 1.00 1.78 H new ATOM 0 HE21 GLN A 32 -9.409 11.584 -1.480 1.00 3.98 H new ATOM 0 HE22 GLN A 32 -10.713 11.174 -0.361 1.00 3.98 H new ATOM 495 N PHE A 33 -6.580 11.587 -3.513 1.00 0.91 N ATOM 496 CA PHE A 33 -5.598 11.691 -2.430 1.00 1.03 C ATOM 497 C PHE A 33 -4.303 12.404 -2.878 1.00 2.02 C ATOM 498 O PHE A 33 -3.246 12.172 -2.297 1.00 2.48 O ATOM 499 CB PHE A 33 -5.264 10.281 -1.913 1.00 1.26 C ATOM 500 CG PHE A 33 -6.413 9.416 -1.437 1.00 1.01 C ATOM 501 CD1 PHE A 33 -7.145 9.771 -0.288 1.00 2.05 C ATOM 502 CD2 PHE A 33 -6.695 8.206 -2.100 1.00 2.10 C ATOM 503 CE1 PHE A 33 -8.167 8.926 0.185 1.00 2.13 C ATOM 504 CE2 PHE A 33 -7.713 7.364 -1.625 1.00 1.98 C ATOM 505 CZ PHE A 33 -8.454 7.725 -0.487 1.00 1.24 C ATOM 0 H PHE A 33 -6.198 11.138 -4.345 1.00 0.91 H new ATOM 0 HA PHE A 33 -6.040 12.293 -1.636 1.00 1.03 H new ATOM 0 HB2 PHE A 33 -4.748 9.745 -2.710 1.00 1.26 H new ATOM 0 HB3 PHE A 33 -4.558 10.384 -1.089 1.00 1.26 H new ATOM 0 HD1 PHE A 33 -6.923 10.692 0.231 1.00 2.05 H new ATOM 0 HD2 PHE A 33 -6.127 7.925 -2.975 1.00 2.10 H new ATOM 0 HE1 PHE A 33 -8.731 9.201 1.064 1.00 2.13 H new ATOM 0 HE2 PHE A 33 -7.927 6.437 -2.135 1.00 1.98 H new ATOM 0 HZ PHE A 33 -9.243 7.080 -0.129 1.00 1.24 H new ATOM 515 N GLN A 34 -4.333 13.226 -3.933 1.00 0.81 N ATOM 516 CA GLN A 34 -3.134 13.939 -4.411 1.00 0.90 C ATOM 517 C GLN A 34 -2.647 15.021 -3.433 1.00 1.12 C ATOM 518 O GLN A 34 -1.437 15.155 -3.257 1.00 1.80 O ATOM 519 CB GLN A 34 -3.327 14.481 -5.840 1.00 1.05 C ATOM 520 CG GLN A 34 -4.627 15.268 -6.085 1.00 1.52 C ATOM 521 CD GLN A 34 -4.390 16.611 -6.773 1.00 2.28 C ATOM 522 OE1 GLN A 34 -3.945 16.681 -7.908 1.00 2.44 O ATOM 523 NE2 GLN A 34 -4.660 17.721 -6.127 1.00 3.59 N ATOM 0 H GLN A 34 -5.175 13.417 -4.476 1.00 0.81 H new ATOM 0 HA GLN A 34 -2.332 13.202 -4.453 1.00 0.90 H new ATOM 0 HB2 GLN A 34 -2.482 15.126 -6.081 1.00 1.05 H new ATOM 0 HB3 GLN A 34 -3.296 13.642 -6.535 1.00 1.05 H new ATOM 0 HG2 GLN A 34 -5.300 14.666 -6.696 1.00 1.52 H new ATOM 0 HG3 GLN A 34 -5.128 15.437 -5.132 1.00 1.52 H new ATOM 0 HE21 GLN A 34 -5.032 17.681 -5.178 1.00 3.59 H new ATOM 0 HE22 GLN A 34 -4.498 18.623 -6.574 1.00 3.59 H new ATOM 532 N ASP A 35 -3.561 15.713 -2.736 1.00 1.08 N ATOM 533 CA ASP A 35 -3.291 16.655 -1.633 1.00 1.35 C ATOM 534 C ASP A 35 -2.907 15.949 -0.310 1.00 1.60 C ATOM 535 O ASP A 35 -2.853 16.555 0.764 1.00 2.31 O ATOM 536 CB ASP A 35 -4.540 17.529 -1.427 1.00 1.64 C ATOM 537 CG ASP A 35 -5.006 18.189 -2.728 1.00 3.13 C ATOM 538 OD1 ASP A 35 -5.650 17.473 -3.531 1.00 4.50 O ATOM 539 OD2 ASP A 35 -4.706 19.384 -2.926 1.00 4.01 O ATOM 0 H ASP A 35 -4.558 15.629 -2.934 1.00 1.08 H new ATOM 0 HA ASP A 35 -2.429 17.262 -1.911 1.00 1.35 H new ATOM 0 HB2 ASP A 35 -5.347 16.917 -1.023 1.00 1.64 H new ATOM 0 HB3 ASP A 35 -4.324 18.300 -0.688 1.00 1.64 H new ATOM 544 N LYS A 36 -2.692 14.634 -0.386 1.00 1.08 N ATOM 545 CA LYS A 36 -2.321 13.733 0.698 1.00 1.13 C ATOM 546 C LYS A 36 -1.093 12.892 0.315 1.00 1.29 C ATOM 547 O LYS A 36 -0.644 12.844 -0.831 1.00 1.54 O ATOM 548 CB LYS A 36 -3.515 12.805 1.024 1.00 1.35 C ATOM 549 CG LYS A 36 -4.815 13.493 1.388 1.00 1.68 C ATOM 550 CD LYS A 36 -4.713 14.325 2.659 1.00 1.52 C ATOM 551 CE LYS A 36 -6.155 14.561 3.068 1.00 1.94 C ATOM 552 NZ LYS A 36 -6.264 15.695 4.006 1.00 2.14 N ATOM 0 H LYS A 36 -2.780 14.139 -1.273 1.00 1.08 H new ATOM 0 HA LYS A 36 -2.066 14.327 1.576 1.00 1.13 H new ATOM 0 HB2 LYS A 36 -3.696 12.164 0.162 1.00 1.35 H new ATOM 0 HB3 LYS A 36 -3.228 12.155 1.850 1.00 1.35 H new ATOM 0 HG2 LYS A 36 -5.123 14.136 0.563 1.00 1.68 H new ATOM 0 HG3 LYS A 36 -5.594 12.741 1.514 1.00 1.68 H new ATOM 0 HD2 LYS A 36 -4.160 13.798 3.436 1.00 1.52 H new ATOM 0 HD3 LYS A 36 -4.192 15.265 2.479 1.00 1.52 H new ATOM 0 HE2 LYS A 36 -6.759 14.758 2.183 1.00 1.94 H new ATOM 0 HE3 LYS A 36 -6.556 13.661 3.533 1.00 1.94 H new ATOM 0 HZ1 LYS A 36 -7.198 15.679 4.463 1.00 2.14 H new ATOM 0 HZ2 LYS A 36 -5.522 15.618 4.731 1.00 2.14 H new ATOM 0 HZ3 LYS A 36 -6.148 16.588 3.486 1.00 2.14 H new ATOM 566 N VAL A 37 -0.577 12.182 1.310 1.00 1.03 N ATOM 567 CA VAL A 37 0.382 11.093 1.184 1.00 1.13 C ATOM 568 C VAL A 37 -0.423 9.799 1.276 1.00 1.49 C ATOM 569 O VAL A 37 -1.155 9.574 2.243 1.00 1.78 O ATOM 570 CB VAL A 37 1.463 11.078 2.293 1.00 1.15 C ATOM 571 CG1 VAL A 37 2.693 10.315 1.776 1.00 1.47 C ATOM 572 CG2 VAL A 37 1.911 12.463 2.782 1.00 1.23 C ATOM 0 H VAL A 37 -0.831 12.361 2.281 1.00 1.03 H new ATOM 0 HA VAL A 37 0.915 11.213 0.241 1.00 1.13 H new ATOM 0 HB VAL A 37 1.002 10.592 3.153 1.00 1.15 H new ATOM 0 HG11 VAL A 37 3.462 10.298 2.549 1.00 1.47 H new ATOM 0 HG12 VAL A 37 2.408 9.293 1.524 1.00 1.47 H new ATOM 0 HG13 VAL A 37 3.083 10.812 0.888 1.00 1.47 H new ATOM 0 HG21 VAL A 37 2.669 12.348 3.557 1.00 1.23 H new ATOM 0 HG22 VAL A 37 2.329 13.026 1.947 1.00 1.23 H new ATOM 0 HG23 VAL A 37 1.054 13.000 3.189 1.00 1.23 H new ATOM 582 N VAL A 38 -0.283 8.961 0.255 1.00 1.02 N ATOM 583 CA VAL A 38 -0.774 7.582 0.267 1.00 0.83 C ATOM 584 C VAL A 38 0.410 6.642 0.415 1.00 0.86 C ATOM 585 O VAL A 38 1.369 6.717 -0.362 1.00 0.78 O ATOM 586 CB VAL A 38 -1.589 7.229 -0.995 1.00 1.00 C ATOM 587 CG1 VAL A 38 -2.057 5.766 -0.981 1.00 1.26 C ATOM 588 CG2 VAL A 38 -2.819 8.141 -1.093 1.00 1.39 C ATOM 0 H VAL A 38 0.180 9.220 -0.616 1.00 1.02 H new ATOM 0 HA VAL A 38 -1.454 7.472 1.112 1.00 0.83 H new ATOM 0 HB VAL A 38 -0.937 7.375 -1.856 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -2.627 5.558 -1.886 1.00 1.26 H new ATOM 0 HG12 VAL A 38 -1.190 5.107 -0.939 1.00 1.26 H new ATOM 0 HG13 VAL A 38 -2.687 5.594 -0.108 1.00 1.26 H new ATOM 0 HG21 VAL A 38 -3.390 7.887 -1.986 1.00 1.39 H new ATOM 0 HG22 VAL A 38 -3.445 8.004 -0.211 1.00 1.39 H new ATOM 0 HG23 VAL A 38 -2.497 9.181 -1.152 1.00 1.39 H new ATOM 598 N LEU A 39 0.291 5.727 1.379 1.00 0.55 N ATOM 599 CA LEU A 39 1.062 4.491 1.439 1.00 0.56 C ATOM 600 C LEU A 39 0.188 3.372 0.847 1.00 1.04 C ATOM 601 O LEU A 39 -0.904 3.086 1.344 1.00 1.13 O ATOM 602 CB LEU A 39 1.486 4.200 2.897 1.00 0.66 C ATOM 603 CG LEU A 39 2.999 3.996 3.072 1.00 1.06 C ATOM 604 CD1 LEU A 39 3.338 3.746 4.547 1.00 2.01 C ATOM 605 CD2 LEU A 39 3.504 2.799 2.261 1.00 2.08 C ATOM 0 H LEU A 39 -0.361 5.831 2.157 1.00 0.55 H new ATOM 0 HA LEU A 39 1.983 4.567 0.860 1.00 0.56 H new ATOM 0 HB2 LEU A 39 1.164 5.026 3.531 1.00 0.66 H new ATOM 0 HB3 LEU A 39 0.965 3.308 3.246 1.00 0.66 H new ATOM 0 HG LEU A 39 3.485 4.905 2.716 1.00 1.06 H new ATOM 0 HD11 LEU A 39 4.413 3.603 4.654 1.00 2.01 H new ATOM 0 HD12 LEU A 39 3.024 4.603 5.143 1.00 2.01 H new ATOM 0 HD13 LEU A 39 2.817 2.853 4.894 1.00 2.01 H new ATOM 0 HD21 LEU A 39 4.578 2.686 2.410 1.00 2.08 H new ATOM 0 HD22 LEU A 39 2.995 1.894 2.592 1.00 2.08 H new ATOM 0 HD23 LEU A 39 3.299 2.964 1.203 1.00 2.08 H new ATOM 617 N LEU A 40 0.672 2.773 -0.244 1.00 0.52 N ATOM 618 CA LEU A 40 -0.058 1.818 -1.079 1.00 0.51 C ATOM 619 C LEU A 40 0.643 0.455 -1.013 1.00 0.88 C ATOM 620 O LEU A 40 1.813 0.329 -1.383 1.00 1.04 O ATOM 621 CB LEU A 40 -0.113 2.401 -2.510 1.00 0.70 C ATOM 622 CG LEU A 40 -1.187 1.852 -3.467 1.00 0.84 C ATOM 623 CD1 LEU A 40 -1.036 0.354 -3.746 1.00 2.26 C ATOM 624 CD2 LEU A 40 -2.605 2.148 -2.974 1.00 2.05 C ATOM 0 H LEU A 40 1.619 2.947 -0.582 1.00 0.52 H new ATOM 0 HA LEU A 40 -1.080 1.661 -0.733 1.00 0.51 H new ATOM 0 HB2 LEU A 40 -0.257 3.478 -2.428 1.00 0.70 H new ATOM 0 HB3 LEU A 40 0.861 2.244 -2.974 1.00 0.70 H new ATOM 0 HG LEU A 40 -1.026 2.380 -4.407 1.00 0.84 H new ATOM 0 HD11 LEU A 40 -1.823 0.030 -4.427 1.00 2.26 H new ATOM 0 HD12 LEU A 40 -0.063 0.165 -4.199 1.00 2.26 H new ATOM 0 HD13 LEU A 40 -1.114 -0.200 -2.811 1.00 2.26 H new ATOM 0 HD21 LEU A 40 -3.328 1.742 -3.681 1.00 2.05 H new ATOM 0 HD22 LEU A 40 -2.754 1.687 -1.997 1.00 2.05 H new ATOM 0 HD23 LEU A 40 -2.744 3.226 -2.892 1.00 2.05 H new ATOM 636 N PHE A 41 -0.072 -0.564 -0.529 1.00 0.51 N ATOM 637 CA PHE A 41 0.445 -1.924 -0.347 1.00 0.49 C ATOM 638 C PHE A 41 -0.417 -2.928 -1.119 1.00 1.40 C ATOM 639 O PHE A 41 -1.650 -2.885 -1.035 1.00 1.74 O ATOM 640 CB PHE A 41 0.470 -2.249 1.164 1.00 0.50 C ATOM 641 CG PHE A 41 1.279 -3.458 1.632 1.00 0.71 C ATOM 642 CD1 PHE A 41 2.285 -4.049 0.835 1.00 1.94 C ATOM 643 CD2 PHE A 41 1.053 -3.962 2.929 1.00 1.86 C ATOM 644 CE1 PHE A 41 3.036 -5.132 1.321 1.00 2.08 C ATOM 645 CE2 PHE A 41 1.809 -5.045 3.417 1.00 1.76 C ATOM 646 CZ PHE A 41 2.798 -5.631 2.613 1.00 1.20 C ATOM 0 H PHE A 41 -1.047 -0.465 -0.247 1.00 0.51 H new ATOM 0 HA PHE A 41 1.459 -1.994 -0.741 1.00 0.49 H new ATOM 0 HB2 PHE A 41 0.851 -1.372 1.686 1.00 0.50 H new ATOM 0 HB3 PHE A 41 -0.560 -2.392 1.490 1.00 0.50 H new ATOM 0 HD1 PHE A 41 2.478 -3.665 -0.156 1.00 1.94 H new ATOM 0 HD2 PHE A 41 0.294 -3.514 3.553 1.00 1.86 H new ATOM 0 HE1 PHE A 41 3.797 -5.582 0.701 1.00 2.08 H new ATOM 0 HE2 PHE A 41 1.627 -5.425 4.411 1.00 1.76 H new ATOM 0 HZ PHE A 41 3.375 -6.464 2.986 1.00 1.20 H new ATOM 656 N PHE A 42 0.239 -3.839 -1.843 1.00 0.53 N ATOM 657 CA PHE A 42 -0.410 -4.894 -2.616 1.00 0.54 C ATOM 658 C PHE A 42 -0.364 -6.233 -1.861 1.00 1.77 C ATOM 659 O PHE A 42 0.714 -6.755 -1.581 1.00 2.18 O ATOM 660 CB PHE A 42 0.264 -4.993 -3.992 1.00 0.57 C ATOM 661 CG PHE A 42 0.003 -3.805 -4.901 1.00 0.66 C ATOM 662 CD1 PHE A 42 0.867 -2.694 -4.878 1.00 2.17 C ATOM 663 CD2 PHE A 42 -1.091 -3.810 -5.789 1.00 1.90 C ATOM 664 CE1 PHE A 42 0.675 -1.632 -5.781 1.00 2.09 C ATOM 665 CE2 PHE A 42 -1.298 -2.738 -6.673 1.00 1.90 C ATOM 666 CZ PHE A 42 -0.409 -1.651 -6.673 1.00 0.94 C ATOM 0 H PHE A 42 1.257 -3.862 -1.908 1.00 0.53 H new ATOM 0 HA PHE A 42 -1.462 -4.649 -2.759 1.00 0.54 H new ATOM 0 HB2 PHE A 42 1.340 -5.098 -3.850 1.00 0.57 H new ATOM 0 HB3 PHE A 42 -0.082 -5.899 -4.489 1.00 0.57 H new ATOM 0 HD1 PHE A 42 1.678 -2.657 -4.166 1.00 2.17 H new ATOM 0 HD2 PHE A 42 -1.776 -4.645 -5.790 1.00 1.90 H new ATOM 0 HE1 PHE A 42 1.363 -0.800 -5.788 1.00 2.09 H new ATOM 0 HE2 PHE A 42 -2.139 -2.750 -7.351 1.00 1.90 H new ATOM 0 HZ PHE A 42 -0.559 -0.830 -7.359 1.00 0.94 H new ATOM 676 N GLY A 43 -1.535 -6.793 -1.541 1.00 0.62 N ATOM 677 CA GLY A 43 -1.688 -8.132 -0.957 1.00 0.72 C ATOM 678 C GLY A 43 -2.918 -8.877 -1.476 1.00 0.88 C ATOM 679 O GLY A 43 -3.683 -8.340 -2.271 1.00 0.99 O ATOM 0 H GLY A 43 -2.426 -6.317 -1.684 1.00 0.62 H new ATOM 0 HA2 GLY A 43 -0.796 -8.720 -1.174 1.00 0.72 H new ATOM 0 HA3 GLY A 43 -1.755 -8.043 0.127 1.00 0.72 H new ATOM 683 N PHE A 44 -3.112 -10.108 -1.000 1.00 0.97 N ATOM 684 CA PHE A 44 -4.272 -10.958 -1.314 1.00 1.17 C ATOM 685 C PHE A 44 -4.947 -11.511 -0.037 1.00 1.79 C ATOM 686 O PHE A 44 -5.326 -12.680 -0.005 1.00 3.02 O ATOM 687 CB PHE A 44 -3.873 -12.043 -2.337 1.00 1.46 C ATOM 688 CG PHE A 44 -2.869 -13.094 -1.890 1.00 1.54 C ATOM 689 CD1 PHE A 44 -1.502 -12.775 -1.772 1.00 3.15 C ATOM 690 CD2 PHE A 44 -3.292 -14.415 -1.648 1.00 2.41 C ATOM 691 CE1 PHE A 44 -0.576 -13.756 -1.372 1.00 4.36 C ATOM 692 CE2 PHE A 44 -2.364 -15.403 -1.274 1.00 3.37 C ATOM 693 CZ PHE A 44 -1.005 -15.070 -1.125 1.00 4.19 C ATOM 0 H PHE A 44 -2.450 -10.558 -0.367 1.00 0.97 H new ATOM 0 HA PHE A 44 -5.041 -10.349 -1.789 1.00 1.17 H new ATOM 0 HB2 PHE A 44 -4.781 -12.558 -2.653 1.00 1.46 H new ATOM 0 HB3 PHE A 44 -3.468 -11.543 -3.217 1.00 1.46 H new ATOM 0 HD1 PHE A 44 -1.163 -11.773 -1.990 1.00 3.15 H new ATOM 0 HD2 PHE A 44 -4.336 -14.671 -1.750 1.00 2.41 H new ATOM 0 HE1 PHE A 44 0.466 -13.498 -1.255 1.00 4.36 H new ATOM 0 HE2 PHE A 44 -2.694 -16.417 -1.101 1.00 3.37 H new ATOM 0 HZ PHE A 44 -0.293 -15.823 -0.821 1.00 4.19 H new ATOM 703 N THR A 45 -4.998 -10.677 1.026 1.00 1.06 N ATOM 704 CA THR A 45 -5.291 -10.916 2.474 1.00 1.15 C ATOM 705 C THR A 45 -4.563 -12.084 3.133 1.00 1.66 C ATOM 706 O THR A 45 -3.950 -11.895 4.180 1.00 2.43 O ATOM 707 CB THR A 45 -6.791 -10.995 2.798 1.00 1.17 C ATOM 708 OG1 THR A 45 -7.524 -11.700 1.826 1.00 1.71 O ATOM 709 CG2 THR A 45 -7.359 -9.592 2.983 1.00 1.02 C ATOM 0 H THR A 45 -4.811 -9.685 0.877 1.00 1.06 H new ATOM 0 HA THR A 45 -4.874 -10.013 2.920 1.00 1.15 H new ATOM 0 HB THR A 45 -6.889 -11.555 3.728 1.00 1.17 H new ATOM 0 HG1 THR A 45 -8.132 -11.085 1.365 1.00 1.71 H new ATOM 0 HG21 THR A 45 -8.423 -9.657 3.212 1.00 1.02 H new ATOM 0 HG22 THR A 45 -6.841 -9.095 3.803 1.00 1.02 H new ATOM 0 HG23 THR A 45 -7.220 -9.019 2.066 1.00 1.02 H new ATOM 717 N ARG A 46 -4.582 -13.272 2.528 1.00 1.56 N ATOM 718 CA ARG A 46 -4.022 -14.547 3.003 1.00 1.72 C ATOM 719 C ARG A 46 -2.493 -14.563 3.232 1.00 1.81 C ATOM 720 O ARG A 46 -1.950 -15.616 3.570 1.00 2.39 O ATOM 721 CB ARG A 46 -4.392 -15.658 1.994 1.00 2.13 C ATOM 722 CG ARG A 46 -5.896 -15.780 1.682 1.00 2.90 C ATOM 723 CD ARG A 46 -6.186 -16.839 0.607 1.00 3.94 C ATOM 724 NE ARG A 46 -6.320 -18.201 1.169 1.00 4.31 N ATOM 725 CZ ARG A 46 -6.344 -19.341 0.478 1.00 5.38 C ATOM 726 NH1 ARG A 46 -6.025 -19.395 -0.799 1.00 6.18 N ATOM 727 NH2 ARG A 46 -6.712 -20.463 1.059 1.00 6.01 N ATOM 0 H ARG A 46 -5.026 -13.381 1.616 1.00 1.56 H new ATOM 0 HA ARG A 46 -4.461 -14.710 3.987 1.00 1.72 H new ATOM 0 HB2 ARG A 46 -3.857 -15.475 1.062 1.00 2.13 H new ATOM 0 HB3 ARG A 46 -4.038 -16.613 2.382 1.00 2.13 H new ATOM 0 HG2 ARG A 46 -6.434 -16.036 2.595 1.00 2.90 H new ATOM 0 HG3 ARG A 46 -6.275 -14.814 1.348 1.00 2.90 H new ATOM 0 HD2 ARG A 46 -7.104 -16.575 0.081 1.00 3.94 H new ATOM 0 HD3 ARG A 46 -5.383 -16.832 -0.130 1.00 3.94 H new ATOM 0 HE ARG A 46 -6.402 -18.275 2.183 1.00 4.31 H new ATOM 0 HH11 ARG A 46 -5.748 -18.546 -1.292 1.00 6.18 H new ATOM 0 HH12 ARG A 46 -6.055 -20.286 -1.295 1.00 6.18 H new ATOM 0 HH21 ARG A 46 -6.981 -20.463 2.043 1.00 6.01 H new ATOM 0 HH22 ARG A 46 -6.728 -21.332 0.525 1.00 6.01 H new ATOM 741 N CYS A 47 -1.763 -13.456 3.062 1.00 1.55 N ATOM 742 CA CYS A 47 -0.293 -13.392 3.178 1.00 1.75 C ATOM 743 C CYS A 47 0.171 -13.678 4.636 1.00 1.89 C ATOM 744 O CYS A 47 0.064 -12.796 5.490 1.00 3.02 O ATOM 745 CB CYS A 47 0.224 -12.039 2.651 1.00 2.52 C ATOM 746 SG CYS A 47 -0.744 -11.405 1.244 1.00 3.60 S ATOM 0 H CYS A 47 -2.183 -12.555 2.834 1.00 1.55 H new ATOM 0 HA CYS A 47 0.143 -14.175 2.557 1.00 1.75 H new ATOM 0 HB2 CYS A 47 0.201 -11.308 3.459 1.00 2.52 H new ATOM 0 HB3 CYS A 47 1.266 -12.147 2.349 1.00 2.52 H new ATOM 0 HG CYS A 47 -0.725 -12.274 0.278 1.00 3.60 H new ATOM 752 N PRO A 48 0.687 -14.884 4.953 1.00 1.43 N ATOM 753 CA PRO A 48 0.400 -15.568 6.221 1.00 1.97 C ATOM 754 C PRO A 48 1.137 -15.055 7.469 1.00 1.90 C ATOM 755 O PRO A 48 0.916 -15.595 8.547 1.00 2.22 O ATOM 756 CB PRO A 48 0.716 -17.047 5.956 1.00 2.81 C ATOM 757 CG PRO A 48 1.788 -16.990 4.870 1.00 2.76 C ATOM 758 CD PRO A 48 1.307 -15.819 4.019 1.00 1.91 C ATOM 0 HA PRO A 48 -0.640 -15.374 6.485 1.00 1.97 H new ATOM 0 HB2 PRO A 48 1.079 -17.547 6.854 1.00 2.81 H new ATOM 0 HB3 PRO A 48 -0.166 -17.593 5.622 1.00 2.81 H new ATOM 0 HG2 PRO A 48 2.781 -16.814 5.284 1.00 2.76 H new ATOM 0 HG3 PRO A 48 1.841 -17.917 4.298 1.00 2.76 H new ATOM 0 HD2 PRO A 48 2.138 -15.352 3.490 1.00 1.91 H new ATOM 0 HD3 PRO A 48 0.594 -16.150 3.264 1.00 1.91 H new ATOM 766 N ASP A 49 1.987 -14.030 7.355 1.00 1.34 N ATOM 767 CA ASP A 49 2.762 -13.467 8.475 1.00 1.22 C ATOM 768 C ASP A 49 3.003 -11.979 8.193 1.00 1.19 C ATOM 769 O ASP A 49 2.576 -11.095 8.923 1.00 1.41 O ATOM 770 CB ASP A 49 4.076 -14.264 8.600 1.00 1.29 C ATOM 771 CG ASP A 49 4.891 -13.895 9.843 1.00 2.40 C ATOM 772 OD1 ASP A 49 5.228 -12.698 9.979 1.00 3.16 O ATOM 773 OD2 ASP A 49 5.194 -14.825 10.622 1.00 3.51 O ATOM 0 H ASP A 49 2.162 -13.557 6.468 1.00 1.34 H new ATOM 0 HA ASP A 49 2.231 -13.545 9.423 1.00 1.22 H new ATOM 0 HB2 ASP A 49 3.846 -15.329 8.628 1.00 1.29 H new ATOM 0 HB3 ASP A 49 4.683 -14.092 7.711 1.00 1.29 H new ATOM 778 N VAL A 50 3.543 -11.720 7.007 1.00 1.08 N ATOM 779 CA VAL A 50 3.707 -10.399 6.396 1.00 1.08 C ATOM 780 C VAL A 50 2.430 -9.524 6.341 1.00 1.29 C ATOM 781 O VAL A 50 2.548 -8.306 6.264 1.00 1.52 O ATOM 782 CB VAL A 50 4.336 -10.592 5.000 1.00 1.17 C ATOM 783 CG1 VAL A 50 3.336 -11.147 3.971 1.00 1.46 C ATOM 784 CG2 VAL A 50 5.005 -9.325 4.466 1.00 1.86 C ATOM 0 H VAL A 50 3.899 -12.466 6.410 1.00 1.08 H new ATOM 0 HA VAL A 50 4.365 -9.824 7.047 1.00 1.08 H new ATOM 0 HB VAL A 50 5.117 -11.339 5.143 1.00 1.17 H new ATOM 0 HG11 VAL A 50 3.832 -11.263 3.007 1.00 1.46 H new ATOM 0 HG12 VAL A 50 2.967 -12.116 4.308 1.00 1.46 H new ATOM 0 HG13 VAL A 50 2.499 -10.456 3.868 1.00 1.46 H new ATOM 0 HG21 VAL A 50 5.428 -9.524 3.482 1.00 1.86 H new ATOM 0 HG22 VAL A 50 4.265 -8.528 4.388 1.00 1.86 H new ATOM 0 HG23 VAL A 50 5.799 -9.018 5.147 1.00 1.86 H new ATOM 794 N CYS A 51 1.200 -10.073 6.405 1.00 1.27 N ATOM 795 CA CYS A 51 0.020 -9.228 6.654 1.00 1.48 C ATOM 796 C CYS A 51 -0.018 -8.709 8.109 1.00 1.71 C ATOM 797 O CYS A 51 0.076 -7.496 8.286 1.00 1.87 O ATOM 798 CB CYS A 51 -1.283 -9.940 6.239 1.00 1.79 C ATOM 799 SG CYS A 51 -1.614 -9.669 4.479 1.00 1.80 S ATOM 0 H CYS A 51 1.003 -11.067 6.291 1.00 1.27 H new ATOM 0 HA CYS A 51 0.106 -8.346 6.020 1.00 1.48 H new ATOM 0 HB2 CYS A 51 -1.202 -11.008 6.441 1.00 1.79 H new ATOM 0 HB3 CYS A 51 -2.116 -9.566 6.835 1.00 1.79 H new ATOM 0 HG CYS A 51 -2.555 -10.475 4.085 1.00 1.80 H new ATOM 805 N PRO A 52 -0.157 -9.556 9.153 1.00 1.42 N ATOM 806 CA PRO A 52 -0.310 -9.055 10.517 1.00 1.48 C ATOM 807 C PRO A 52 0.957 -8.375 11.052 1.00 1.58 C ATOM 808 O PRO A 52 0.837 -7.328 11.688 1.00 1.51 O ATOM 809 CB PRO A 52 -0.730 -10.264 11.362 1.00 1.70 C ATOM 810 CG PRO A 52 -0.252 -11.473 10.559 1.00 1.65 C ATOM 811 CD PRO A 52 -0.401 -10.994 9.118 1.00 1.49 C ATOM 0 HA PRO A 52 -1.062 -8.267 10.556 1.00 1.48 H new ATOM 0 HB2 PRO A 52 -0.271 -10.237 12.350 1.00 1.70 H new ATOM 0 HB3 PRO A 52 -1.809 -10.288 11.512 1.00 1.70 H new ATOM 0 HG2 PRO A 52 0.780 -11.734 10.795 1.00 1.65 H new ATOM 0 HG3 PRO A 52 -0.858 -12.357 10.757 1.00 1.65 H new ATOM 0 HD2 PRO A 52 0.311 -11.496 8.463 1.00 1.49 H new ATOM 0 HD3 PRO A 52 -1.397 -11.213 8.734 1.00 1.49 H new ATOM 819 N THR A 53 2.148 -8.923 10.766 1.00 1.29 N ATOM 820 CA THR A 53 3.438 -8.359 11.178 1.00 1.21 C ATOM 821 C THR A 53 3.642 -6.986 10.540 1.00 1.30 C ATOM 822 O THR A 53 3.677 -5.976 11.253 1.00 1.25 O ATOM 823 CB THR A 53 4.571 -9.349 10.840 1.00 1.16 C ATOM 824 OG1 THR A 53 4.254 -10.602 11.414 1.00 2.24 O ATOM 825 CG2 THR A 53 5.908 -8.902 11.425 1.00 1.58 C ATOM 0 H THR A 53 2.241 -9.787 10.232 1.00 1.29 H new ATOM 0 HA THR A 53 3.451 -8.209 12.258 1.00 1.21 H new ATOM 0 HB THR A 53 4.660 -9.402 9.755 1.00 1.16 H new ATOM 0 HG1 THR A 53 4.625 -11.319 10.859 1.00 2.24 H new ATOM 0 HG21 THR A 53 6.680 -9.626 11.164 1.00 1.58 H new ATOM 0 HG22 THR A 53 6.175 -7.926 11.019 1.00 1.58 H new ATOM 0 HG23 THR A 53 5.826 -8.834 12.510 1.00 1.58 H new ATOM 833 N THR A 54 3.667 -6.912 9.202 1.00 1.14 N ATOM 834 CA THR A 54 3.991 -5.665 8.494 1.00 1.15 C ATOM 835 C THR A 54 2.905 -4.606 8.609 1.00 1.11 C ATOM 836 O THR A 54 3.256 -3.437 8.666 1.00 0.99 O ATOM 837 CB THR A 54 4.405 -5.915 7.041 1.00 1.30 C ATOM 838 OG1 THR A 54 5.303 -6.995 7.012 1.00 1.85 O ATOM 839 CG2 THR A 54 5.138 -4.733 6.408 1.00 1.79 C ATOM 0 H THR A 54 3.467 -7.701 8.588 1.00 1.14 H new ATOM 0 HA THR A 54 4.860 -5.252 9.007 1.00 1.15 H new ATOM 0 HB THR A 54 3.486 -6.097 6.484 1.00 1.30 H new ATOM 0 HG1 THR A 54 5.840 -6.996 7.832 1.00 1.85 H new ATOM 0 HG21 THR A 54 5.402 -4.977 5.379 1.00 1.79 H new ATOM 0 HG22 THR A 54 4.491 -3.856 6.418 1.00 1.79 H new ATOM 0 HG23 THR A 54 6.045 -4.521 6.975 1.00 1.79 H new ATOM 847 N LEU A 55 1.610 -4.930 8.730 1.00 0.91 N ATOM 848 CA LEU A 55 0.599 -3.901 9.031 1.00 0.82 C ATOM 849 C LEU A 55 0.764 -3.306 10.437 1.00 1.26 C ATOM 850 O LEU A 55 0.474 -2.121 10.604 1.00 1.45 O ATOM 851 CB LEU A 55 -0.830 -4.435 8.817 1.00 0.82 C ATOM 852 CG LEU A 55 -1.343 -4.244 7.377 1.00 0.91 C ATOM 853 CD1 LEU A 55 -0.609 -5.051 6.298 1.00 2.22 C ATOM 854 CD2 LEU A 55 -2.847 -4.565 7.306 1.00 2.02 C ATOM 0 H LEU A 55 1.241 -5.875 8.627 1.00 0.91 H new ATOM 0 HA LEU A 55 0.765 -3.088 8.324 1.00 0.82 H new ATOM 0 HB2 LEU A 55 -0.855 -5.496 9.066 1.00 0.82 H new ATOM 0 HB3 LEU A 55 -1.506 -3.929 9.506 1.00 0.82 H new ATOM 0 HG LEU A 55 -1.141 -3.197 7.151 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -1.051 -4.842 5.324 1.00 2.22 H new ATOM 0 HD12 LEU A 55 0.444 -4.770 6.287 1.00 2.22 H new ATOM 0 HD13 LEU A 55 -0.699 -6.115 6.516 1.00 2.22 H new ATOM 0 HD21 LEU A 55 -3.201 -4.427 6.284 1.00 2.02 H new ATOM 0 HD22 LEU A 55 -3.013 -5.598 7.611 1.00 2.02 H new ATOM 0 HD23 LEU A 55 -3.393 -3.897 7.972 1.00 2.02 H new ATOM 866 N LEU A 56 1.252 -4.069 11.427 1.00 0.83 N ATOM 867 CA LEU A 56 1.641 -3.534 12.733 1.00 0.84 C ATOM 868 C LEU A 56 2.934 -2.705 12.638 1.00 1.13 C ATOM 869 O LEU A 56 3.052 -1.701 13.331 1.00 1.32 O ATOM 870 CB LEU A 56 1.811 -4.699 13.728 1.00 0.99 C ATOM 871 CG LEU A 56 1.776 -4.250 15.201 1.00 1.33 C ATOM 872 CD1 LEU A 56 0.364 -3.875 15.679 1.00 2.43 C ATOM 873 CD2 LEU A 56 2.334 -5.357 16.107 1.00 1.78 C ATOM 0 H LEU A 56 1.387 -5.076 11.340 1.00 0.83 H new ATOM 0 HA LEU A 56 0.856 -2.866 13.087 1.00 0.84 H new ATOM 0 HB2 LEU A 56 1.021 -5.431 13.559 1.00 0.99 H new ATOM 0 HB3 LEU A 56 2.758 -5.201 13.531 1.00 0.99 H new ATOM 0 HG LEU A 56 2.396 -3.356 15.265 1.00 1.33 H new ATOM 0 HD11 LEU A 56 0.403 -3.567 16.724 1.00 2.43 H new ATOM 0 HD12 LEU A 56 -0.019 -3.054 15.073 1.00 2.43 H new ATOM 0 HD13 LEU A 56 -0.295 -4.738 15.580 1.00 2.43 H new ATOM 0 HD21 LEU A 56 2.304 -5.027 17.145 1.00 1.78 H new ATOM 0 HD22 LEU A 56 1.731 -6.258 15.995 1.00 1.78 H new ATOM 0 HD23 LEU A 56 3.364 -5.573 15.825 1.00 1.78 H new ATOM 885 N ALA A 57 3.899 -3.086 11.796 1.00 0.77 N ATOM 886 CA ALA A 57 5.133 -2.321 11.570 1.00 0.85 C ATOM 887 C ALA A 57 4.853 -0.989 10.858 1.00 0.97 C ATOM 888 O ALA A 57 5.243 0.071 11.357 1.00 1.17 O ATOM 889 CB ALA A 57 6.127 -3.189 10.788 1.00 0.95 C ATOM 0 H ALA A 57 3.847 -3.943 11.245 1.00 0.77 H new ATOM 0 HA ALA A 57 5.573 -2.063 12.533 1.00 0.85 H new ATOM 0 HB1 ALA A 57 7.045 -2.627 10.617 1.00 0.95 H new ATOM 0 HB2 ALA A 57 6.354 -4.088 11.361 1.00 0.95 H new ATOM 0 HB3 ALA A 57 5.690 -3.470 9.830 1.00 0.95 H new ATOM 895 N LEU A 58 4.106 -1.035 9.747 1.00 0.92 N ATOM 896 CA LEU A 58 3.607 0.122 9.005 1.00 1.02 C ATOM 897 C LEU A 58 2.944 1.095 9.975 1.00 1.41 C ATOM 898 O LEU A 58 3.441 2.202 10.164 1.00 1.75 O ATOM 899 CB LEU A 58 2.626 -0.345 7.903 1.00 0.96 C ATOM 900 CG LEU A 58 3.301 -1.005 6.681 1.00 1.24 C ATOM 901 CD1 LEU A 58 2.272 -1.785 5.847 1.00 1.53 C ATOM 902 CD2 LEU A 58 3.962 0.041 5.778 1.00 1.43 C ATOM 0 H LEU A 58 3.823 -1.920 9.326 1.00 0.92 H new ATOM 0 HA LEU A 58 4.433 0.639 8.516 1.00 1.02 H new ATOM 0 HB2 LEU A 58 1.921 -1.053 8.339 1.00 0.96 H new ATOM 0 HB3 LEU A 58 2.047 0.513 7.562 1.00 0.96 H new ATOM 0 HG LEU A 58 4.062 -1.684 7.065 1.00 1.24 H new ATOM 0 HD11 LEU A 58 2.769 -2.242 4.991 1.00 1.53 H new ATOM 0 HD12 LEU A 58 1.820 -2.563 6.462 1.00 1.53 H new ATOM 0 HD13 LEU A 58 1.497 -1.104 5.496 1.00 1.53 H new ATOM 0 HD21 LEU A 58 4.428 -0.455 4.927 1.00 1.43 H new ATOM 0 HD22 LEU A 58 3.208 0.742 5.421 1.00 1.43 H new ATOM 0 HD23 LEU A 58 4.721 0.582 6.343 1.00 1.43 H new ATOM 914 N LYS A 59 1.889 0.677 10.678 1.00 0.96 N ATOM 915 CA LYS A 59 1.170 1.558 11.605 1.00 1.08 C ATOM 916 C LYS A 59 2.035 2.044 12.785 1.00 1.26 C ATOM 917 O LYS A 59 1.821 3.158 13.258 1.00 1.38 O ATOM 918 CB LYS A 59 -0.145 0.890 12.051 1.00 1.13 C ATOM 919 CG LYS A 59 0.019 -0.327 12.955 1.00 1.21 C ATOM 920 CD LYS A 59 -0.113 -0.064 14.460 1.00 1.40 C ATOM 921 CE LYS A 59 -1.508 -0.471 14.941 1.00 1.11 C ATOM 922 NZ LYS A 59 -2.560 0.418 14.392 1.00 2.54 N ATOM 0 H LYS A 59 1.512 -0.269 10.623 1.00 0.96 H new ATOM 0 HA LYS A 59 0.919 2.472 11.067 1.00 1.08 H new ATOM 0 HB2 LYS A 59 -0.752 1.631 12.572 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -0.701 0.591 11.163 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -0.724 -1.071 12.669 1.00 1.21 H new ATOM 0 HG3 LYS A 59 0.999 -0.766 12.767 1.00 1.21 H new ATOM 0 HD2 LYS A 59 0.647 -0.626 15.004 1.00 1.40 H new ATOM 0 HD3 LYS A 59 0.060 0.992 14.670 1.00 1.40 H new ATOM 0 HE2 LYS A 59 -1.710 -1.500 14.643 1.00 1.11 H new ATOM 0 HE3 LYS A 59 -1.540 -0.442 16.030 1.00 1.11 H new ATOM 0 HZ1 LYS A 59 -3.497 0.052 14.656 1.00 2.54 H new ATOM 0 HZ2 LYS A 59 -2.441 1.376 14.778 1.00 2.54 H new ATOM 0 HZ3 LYS A 59 -2.481 0.450 13.356 1.00 2.54 H new ATOM 936 N ARG A 60 3.017 1.255 13.247 1.00 1.04 N ATOM 937 CA ARG A 60 3.976 1.666 14.287 1.00 1.09 C ATOM 938 C ARG A 60 4.895 2.808 13.829 1.00 1.50 C ATOM 939 O ARG A 60 5.345 3.566 14.687 1.00 1.64 O ATOM 940 CB ARG A 60 4.822 0.467 14.753 1.00 1.01 C ATOM 941 CG ARG A 60 4.092 -0.442 15.763 1.00 1.03 C ATOM 942 CD ARG A 60 4.445 -0.137 17.218 1.00 1.41 C ATOM 943 NE ARG A 60 5.822 -0.565 17.518 1.00 2.65 N ATOM 944 CZ ARG A 60 6.477 -0.385 18.657 1.00 3.48 C ATOM 945 NH1 ARG A 60 5.907 0.175 19.710 1.00 3.43 N ATOM 946 NH2 ARG A 60 7.731 -0.774 18.745 1.00 5.04 N ATOM 0 H ARG A 60 3.170 0.306 12.907 1.00 1.04 H new ATOM 0 HA ARG A 60 3.384 2.040 15.122 1.00 1.09 H new ATOM 0 HB2 ARG A 60 5.109 -0.125 13.884 1.00 1.01 H new ATOM 0 HB3 ARG A 60 5.742 0.835 15.206 1.00 1.01 H new ATOM 0 HG2 ARG A 60 3.016 -0.333 15.627 1.00 1.03 H new ATOM 0 HG3 ARG A 60 4.337 -1.482 15.548 1.00 1.03 H new ATOM 0 HD2 ARG A 60 4.341 0.932 17.407 1.00 1.41 H new ATOM 0 HD3 ARG A 60 3.747 -0.647 17.882 1.00 1.41 H new ATOM 0 HE ARG A 60 6.323 -1.050 16.773 1.00 2.65 H new ATOM 0 HH11 ARG A 60 4.936 0.483 19.661 1.00 3.43 H new ATOM 0 HH12 ARG A 60 6.438 0.299 20.572 1.00 3.43 H new ATOM 0 HH21 ARG A 60 8.188 -1.208 17.943 1.00 5.04 H new ATOM 0 HH22 ARG A 60 8.246 -0.641 19.615 1.00 5.04 H new ATOM 960 N ALA A 61 5.206 2.919 12.535 1.00 1.27 N ATOM 961 CA ALA A 61 5.767 4.129 11.935 1.00 1.31 C ATOM 962 C ALA A 61 4.718 5.236 11.718 1.00 1.41 C ATOM 963 O ALA A 61 4.891 6.365 12.170 1.00 1.36 O ATOM 964 CB ALA A 61 6.464 3.732 10.629 1.00 1.51 C ATOM 0 H ALA A 61 5.073 2.160 11.867 1.00 1.27 H new ATOM 0 HA ALA A 61 6.489 4.565 12.625 1.00 1.31 H new ATOM 0 HB1 ALA A 61 6.892 4.619 10.161 1.00 1.51 H new ATOM 0 HB2 ALA A 61 7.258 3.016 10.843 1.00 1.51 H new ATOM 0 HB3 ALA A 61 5.739 3.279 9.953 1.00 1.51 H new ATOM 970 N TYR A 62 3.637 4.920 10.998 1.00 1.63 N ATOM 971 CA TYR A 62 2.678 5.900 10.472 1.00 2.11 C ATOM 972 C TYR A 62 1.947 6.667 11.581 1.00 2.19 C ATOM 973 O TYR A 62 1.947 7.895 11.610 1.00 2.49 O ATOM 974 CB TYR A 62 1.674 5.156 9.573 1.00 2.43 C ATOM 975 CG TYR A 62 1.209 5.886 8.336 1.00 3.72 C ATOM 976 CD1 TYR A 62 2.142 6.156 7.326 1.00 5.31 C ATOM 977 CD2 TYR A 62 -0.158 6.130 8.120 1.00 4.09 C ATOM 978 CE1 TYR A 62 1.717 6.619 6.069 1.00 6.68 C ATOM 979 CE2 TYR A 62 -0.598 6.536 6.842 1.00 5.51 C ATOM 980 CZ TYR A 62 0.339 6.732 5.799 1.00 6.64 C ATOM 981 OH TYR A 62 -0.054 7.043 4.534 1.00 8.12 O ATOM 0 H TYR A 62 3.398 3.958 10.759 1.00 1.63 H new ATOM 0 HA TYR A 62 3.226 6.649 9.900 1.00 2.11 H new ATOM 0 HB2 TYR A 62 2.126 4.214 9.264 1.00 2.43 H new ATOM 0 HB3 TYR A 62 0.798 4.908 10.172 1.00 2.43 H new ATOM 0 HD1 TYR A 62 3.195 6.007 7.515 1.00 5.31 H new ATOM 0 HD2 TYR A 62 -0.866 6.008 8.926 1.00 4.09 H new ATOM 0 HE1 TYR A 62 2.442 6.886 5.315 1.00 6.68 H new ATOM 0 HE2 TYR A 62 -1.650 6.697 6.660 1.00 5.51 H new ATOM 0 HH TYR A 62 0.735 7.150 3.963 1.00 8.12 H new ATOM 991 N GLU A 63 1.348 5.930 12.517 1.00 1.94 N ATOM 992 CA GLU A 63 0.556 6.485 13.611 1.00 2.32 C ATOM 993 C GLU A 63 1.430 7.178 14.675 1.00 2.06 C ATOM 994 O GLU A 63 0.927 7.897 15.532 1.00 2.52 O ATOM 995 CB GLU A 63 -0.434 5.438 14.158 1.00 2.81 C ATOM 996 CG GLU A 63 -1.278 4.879 12.996 1.00 3.53 C ATOM 997 CD GLU A 63 -2.504 4.093 13.441 1.00 4.33 C ATOM 998 OE1 GLU A 63 -2.339 3.039 14.110 1.00 3.91 O ATOM 999 OE2 GLU A 63 -3.610 4.468 12.987 1.00 5.74 O ATOM 0 H GLU A 63 1.402 4.912 12.535 1.00 1.94 H new ATOM 0 HA GLU A 63 -0.062 7.293 13.219 1.00 2.32 H new ATOM 0 HB2 GLU A 63 0.108 4.631 14.650 1.00 2.81 H new ATOM 0 HB3 GLU A 63 -1.082 5.891 14.908 1.00 2.81 H new ATOM 0 HG2 GLU A 63 -1.600 5.707 12.364 1.00 3.53 H new ATOM 0 HG3 GLU A 63 -0.649 4.234 12.382 1.00 3.53 H new ATOM 1006 N LYS A 64 2.753 6.982 14.635 1.00 1.39 N ATOM 1007 CA LYS A 64 3.723 7.751 15.426 1.00 1.26 C ATOM 1008 C LYS A 64 3.838 9.232 14.994 1.00 1.37 C ATOM 1009 O LYS A 64 4.462 10.031 15.697 1.00 1.51 O ATOM 1010 CB LYS A 64 5.086 7.043 15.294 1.00 1.14 C ATOM 1011 CG LYS A 64 6.002 7.194 16.516 1.00 1.51 C ATOM 1012 CD LYS A 64 7.369 6.565 16.220 1.00 2.13 C ATOM 1013 CE LYS A 64 8.197 6.429 17.503 1.00 2.66 C ATOM 1014 NZ LYS A 64 9.507 5.781 17.251 1.00 3.72 N ATOM 0 H LYS A 64 3.187 6.274 14.043 1.00 1.39 H new ATOM 0 HA LYS A 64 3.381 7.780 16.461 1.00 1.26 H new ATOM 0 HB2 LYS A 64 4.914 5.982 15.113 1.00 1.14 H new ATOM 0 HB3 LYS A 64 5.602 7.436 14.418 1.00 1.14 H new ATOM 0 HG2 LYS A 64 6.122 8.249 16.764 1.00 1.51 H new ATOM 0 HG3 LYS A 64 5.550 6.712 17.383 1.00 1.51 H new ATOM 0 HD2 LYS A 64 7.232 5.584 15.765 1.00 2.13 H new ATOM 0 HD3 LYS A 64 7.908 7.179 15.498 1.00 2.13 H new ATOM 0 HE2 LYS A 64 8.358 7.416 17.937 1.00 2.66 H new ATOM 0 HE3 LYS A 64 7.639 5.846 18.235 1.00 2.66 H new ATOM 0 HZ1 LYS A 64 10.070 5.784 18.125 1.00 3.72 H new ATOM 0 HZ2 LYS A 64 9.355 4.800 16.941 1.00 3.72 H new ATOM 0 HZ3 LYS A 64 10.016 6.304 16.510 1.00 3.72 H new ATOM 1028 N LEU A 65 3.309 9.615 13.825 1.00 1.26 N ATOM 1029 CA LEU A 65 3.412 10.979 13.292 1.00 1.25 C ATOM 1030 C LEU A 65 2.480 11.947 14.059 1.00 1.56 C ATOM 1031 O LEU A 65 1.390 11.543 14.464 1.00 1.86 O ATOM 1032 CB LEU A 65 3.093 10.954 11.784 1.00 1.41 C ATOM 1033 CG LEU A 65 4.118 10.198 10.908 1.00 1.64 C ATOM 1034 CD1 LEU A 65 3.550 10.070 9.490 1.00 2.22 C ATOM 1035 CD2 LEU A 65 5.477 10.919 10.857 1.00 1.97 C ATOM 0 H LEU A 65 2.792 8.980 13.217 1.00 1.26 H new ATOM 0 HA LEU A 65 4.428 11.348 13.430 1.00 1.25 H new ATOM 0 HB2 LEU A 65 2.113 10.498 11.644 1.00 1.41 H new ATOM 0 HB3 LEU A 65 3.021 11.981 11.427 1.00 1.41 H new ATOM 0 HG LEU A 65 4.287 9.215 11.348 1.00 1.64 H new ATOM 0 HD11 LEU A 65 4.262 9.538 8.859 1.00 2.22 H new ATOM 0 HD12 LEU A 65 2.611 9.517 9.523 1.00 2.22 H new ATOM 0 HD13 LEU A 65 3.372 11.063 9.078 1.00 2.22 H new ATOM 0 HD21 LEU A 65 6.166 10.353 10.231 1.00 1.97 H new ATOM 0 HD22 LEU A 65 5.344 11.917 10.440 1.00 1.97 H new ATOM 0 HD23 LEU A 65 5.885 10.999 11.865 1.00 1.97 H new ATOM 1047 N PRO A 66 2.854 13.234 14.232 1.00 1.35 N ATOM 1048 CA PRO A 66 2.060 14.190 14.998 1.00 1.46 C ATOM 1049 C PRO A 66 0.715 14.460 14.315 1.00 1.57 C ATOM 1050 O PRO A 66 0.622 14.304 13.091 1.00 1.44 O ATOM 1051 CB PRO A 66 2.895 15.471 15.088 1.00 1.57 C ATOM 1052 CG PRO A 66 3.789 15.402 13.855 1.00 1.49 C ATOM 1053 CD PRO A 66 4.011 13.903 13.660 1.00 1.38 C ATOM 0 HA PRO A 66 1.830 13.801 15.990 1.00 1.46 H new ATOM 0 HB2 PRO A 66 2.266 16.361 15.078 1.00 1.57 H new ATOM 0 HB3 PRO A 66 3.481 15.504 16.007 1.00 1.57 H new ATOM 0 HG2 PRO A 66 3.310 15.853 12.986 1.00 1.49 H new ATOM 0 HG3 PRO A 66 4.730 15.930 14.011 1.00 1.49 H new ATOM 0 HD2 PRO A 66 4.115 13.661 12.602 1.00 1.38 H new ATOM 0 HD3 PRO A 66 4.928 13.580 14.152 1.00 1.38 H new ATOM 1061 N PRO A 67 -0.298 14.939 15.064 1.00 1.43 N ATOM 1062 CA PRO A 67 -1.635 15.193 14.540 1.00 1.54 C ATOM 1063 C PRO A 67 -1.660 16.187 13.375 1.00 1.68 C ATOM 1064 O PRO A 67 -2.634 16.188 12.635 1.00 1.66 O ATOM 1065 CB PRO A 67 -2.470 15.678 15.731 1.00 1.73 C ATOM 1066 CG PRO A 67 -1.436 16.200 16.723 1.00 1.75 C ATOM 1067 CD PRO A 67 -0.251 15.268 16.482 1.00 1.57 C ATOM 0 HA PRO A 67 -2.045 14.281 14.107 1.00 1.54 H new ATOM 0 HB2 PRO A 67 -3.169 16.460 15.435 1.00 1.73 H new ATOM 0 HB3 PRO A 67 -3.060 14.868 16.160 1.00 1.73 H new ATOM 0 HG2 PRO A 67 -1.179 17.242 16.531 1.00 1.75 H new ATOM 0 HG3 PRO A 67 -1.795 16.144 17.751 1.00 1.75 H new ATOM 0 HD2 PRO A 67 0.690 15.754 16.741 1.00 1.57 H new ATOM 0 HD3 PRO A 67 -0.326 14.371 17.096 1.00 1.57 H new ATOM 1075 N LYS A 68 -0.605 16.989 13.150 1.00 1.48 N ATOM 1076 CA LYS A 68 -0.527 17.910 12.011 1.00 1.52 C ATOM 1077 C LYS A 68 0.172 17.320 10.770 1.00 1.67 C ATOM 1078 O LYS A 68 0.001 17.815 9.661 1.00 1.76 O ATOM 1079 CB LYS A 68 0.130 19.210 12.513 1.00 1.65 C ATOM 1080 CG LYS A 68 -0.827 20.399 12.383 1.00 2.13 C ATOM 1081 CD LYS A 68 -2.122 20.309 13.216 1.00 2.41 C ATOM 1082 CE LYS A 68 -3.077 21.473 12.898 1.00 2.99 C ATOM 1083 NZ LYS A 68 -3.781 21.273 11.606 1.00 3.08 N ATOM 0 H LYS A 68 0.216 17.014 13.755 1.00 1.48 H new ATOM 0 HA LYS A 68 -1.535 18.113 11.649 1.00 1.52 H new ATOM 0 HB2 LYS A 68 0.428 19.091 13.555 1.00 1.65 H new ATOM 0 HB3 LYS A 68 1.038 19.406 11.942 1.00 1.65 H new ATOM 0 HG2 LYS A 68 -0.293 21.305 12.672 1.00 2.13 H new ATOM 0 HG3 LYS A 68 -1.099 20.510 11.333 1.00 2.13 H new ATOM 0 HD2 LYS A 68 -2.621 19.361 13.014 1.00 2.41 H new ATOM 0 HD3 LYS A 68 -1.875 20.319 14.278 1.00 2.41 H new ATOM 0 HE2 LYS A 68 -3.809 21.571 13.699 1.00 2.99 H new ATOM 0 HE3 LYS A 68 -2.514 22.406 12.864 1.00 2.99 H new ATOM 0 HZ1 LYS A 68 -4.139 22.186 11.260 1.00 3.08 H new ATOM 0 HZ2 LYS A 68 -3.121 20.874 10.909 1.00 3.08 H new ATOM 0 HZ3 LYS A 68 -4.578 20.619 11.742 1.00 3.08 H new ATOM 1097 N ALA A 69 0.969 16.259 10.938 1.00 1.33 N ATOM 1098 CA ALA A 69 1.340 15.376 9.828 1.00 1.25 C ATOM 1099 C ALA A 69 0.218 14.388 9.466 1.00 1.29 C ATOM 1100 O ALA A 69 -0.014 14.186 8.281 1.00 1.37 O ATOM 1101 CB ALA A 69 2.659 14.679 10.149 1.00 1.31 C ATOM 0 H ALA A 69 1.371 15.991 11.836 1.00 1.33 H new ATOM 0 HA ALA A 69 1.484 15.983 8.934 1.00 1.25 H new ATOM 0 HB1 ALA A 69 2.934 14.023 9.323 1.00 1.31 H new ATOM 0 HB2 ALA A 69 3.439 15.426 10.294 1.00 1.31 H new ATOM 0 HB3 ALA A 69 2.547 14.090 11.059 1.00 1.31 H new ATOM 1107 N GLN A 70 -0.491 13.816 10.455 1.00 1.10 N ATOM 1108 CA GLN A 70 -1.568 12.822 10.269 1.00 1.07 C ATOM 1109 C GLN A 70 -2.577 13.247 9.190 1.00 1.18 C ATOM 1110 O GLN A 70 -2.874 12.467 8.290 1.00 1.46 O ATOM 1111 CB GLN A 70 -2.287 12.555 11.604 1.00 1.31 C ATOM 1112 CG GLN A 70 -1.625 11.441 12.443 1.00 1.77 C ATOM 1113 CD GLN A 70 -2.014 10.026 11.992 1.00 3.02 C ATOM 1114 OE1 GLN A 70 -2.313 9.760 10.843 1.00 4.07 O ATOM 1115 NE2 GLN A 70 -2.047 9.052 12.877 1.00 3.88 N ATOM 0 H GLN A 70 -0.327 14.038 11.437 1.00 1.10 H new ATOM 0 HA GLN A 70 -1.100 11.900 9.923 1.00 1.07 H new ATOM 0 HB2 GLN A 70 -2.308 13.475 12.187 1.00 1.31 H new ATOM 0 HB3 GLN A 70 -3.323 12.281 11.402 1.00 1.31 H new ATOM 0 HG2 GLN A 70 -0.542 11.548 12.385 1.00 1.77 H new ATOM 0 HG3 GLN A 70 -1.903 11.570 13.489 1.00 1.77 H new ATOM 0 HE21 GLN A 70 -1.803 9.238 13.850 1.00 3.88 H new ATOM 0 HE22 GLN A 70 -2.317 8.111 12.590 1.00 3.88 H new ATOM 1124 N GLU A 71 -2.999 14.518 9.210 1.00 1.13 N ATOM 1125 CA GLU A 71 -3.905 15.176 8.247 1.00 1.22 C ATOM 1126 C GLU A 71 -3.554 14.911 6.774 1.00 1.37 C ATOM 1127 O GLU A 71 -4.413 14.984 5.897 1.00 1.66 O ATOM 1128 CB GLU A 71 -3.885 16.707 8.452 1.00 1.37 C ATOM 1129 CG GLU A 71 -3.721 17.117 9.914 1.00 1.62 C ATOM 1130 CD GLU A 71 -3.898 18.610 10.148 1.00 2.23 C ATOM 1131 OE1 GLU A 71 -2.935 19.375 9.926 1.00 2.74 O ATOM 1132 OE2 GLU A 71 -4.949 19.028 10.675 1.00 3.23 O ATOM 0 H GLU A 71 -2.700 15.159 9.945 1.00 1.13 H new ATOM 0 HA GLU A 71 -4.887 14.747 8.446 1.00 1.22 H new ATOM 0 HB2 GLU A 71 -3.070 17.134 7.868 1.00 1.37 H new ATOM 0 HB3 GLU A 71 -4.811 17.131 8.064 1.00 1.37 H new ATOM 0 HG2 GLU A 71 -4.447 16.574 10.519 1.00 1.62 H new ATOM 0 HG3 GLU A 71 -2.731 16.818 10.258 1.00 1.62 H new ATOM 1139 N ARG A 72 -2.274 14.646 6.509 1.00 1.00 N ATOM 1140 CA ARG A 72 -1.701 14.341 5.201 1.00 1.00 C ATOM 1141 C ARG A 72 -1.668 12.842 4.886 1.00 1.36 C ATOM 1142 O ARG A 72 -1.746 12.513 3.710 1.00 1.79 O ATOM 1143 CB ARG A 72 -0.264 14.853 5.148 1.00 1.10 C ATOM 1144 CG ARG A 72 -0.122 16.317 5.587 1.00 1.43 C ATOM 1145 CD ARG A 72 1.311 16.708 5.267 1.00 1.78 C ATOM 1146 NE ARG A 72 1.551 18.141 5.521 1.00 2.12 N ATOM 1147 CZ ARG A 72 2.293 18.947 4.769 1.00 2.81 C ATOM 1148 NH1 ARG A 72 3.001 18.516 3.748 1.00 3.70 N ATOM 1149 NH2 ARG A 72 2.337 20.237 5.037 1.00 3.40 N ATOM 0 H ARG A 72 -1.569 14.639 7.247 1.00 1.00 H new ATOM 0 HA ARG A 72 -2.341 14.828 4.466 1.00 1.00 H new ATOM 0 HB2 ARG A 72 0.360 14.228 5.786 1.00 1.10 H new ATOM 0 HB3 ARG A 72 0.114 14.748 4.131 1.00 1.10 H new ATOM 0 HG2 ARG A 72 -0.829 16.955 5.056 1.00 1.43 H new ATOM 0 HG3 ARG A 72 -0.329 16.428 6.651 1.00 1.43 H new ATOM 0 HD2 ARG A 72 1.995 16.111 5.870 1.00 1.78 H new ATOM 0 HD3 ARG A 72 1.526 16.482 4.223 1.00 1.78 H new ATOM 0 HE ARG A 72 1.109 18.548 6.345 1.00 2.12 H new ATOM 0 HH11 ARG A 72 2.995 17.525 3.505 1.00 3.70 H new ATOM 0 HH12 ARG A 72 3.556 19.172 3.199 1.00 3.70 H new ATOM 0 HH21 ARG A 72 1.802 20.614 5.820 1.00 3.40 H new ATOM 0 HH22 ARG A 72 2.906 20.858 4.462 1.00 3.40 H new ATOM 1163 N VAL A 73 -1.499 11.952 5.865 1.00 0.91 N ATOM 1164 CA VAL A 73 -1.119 10.533 5.677 1.00 0.93 C ATOM 1165 C VAL A 73 -2.324 9.594 5.859 1.00 1.10 C ATOM 1166 O VAL A 73 -2.982 9.617 6.894 1.00 1.37 O ATOM 1167 CB VAL A 73 0.046 10.110 6.616 1.00 1.19 C ATOM 1168 CG1 VAL A 73 1.409 10.592 6.095 1.00 2.62 C ATOM 1169 CG2 VAL A 73 -0.102 10.580 8.062 1.00 2.03 C ATOM 0 H VAL A 73 -1.625 12.198 6.847 1.00 0.91 H new ATOM 0 HA VAL A 73 -0.767 10.441 4.649 1.00 0.93 H new ATOM 0 HB VAL A 73 -0.004 9.021 6.612 1.00 1.19 H new ATOM 0 HG11 VAL A 73 2.194 10.275 6.781 1.00 2.62 H new ATOM 0 HG12 VAL A 73 1.594 10.164 5.110 1.00 2.62 H new ATOM 0 HG13 VAL A 73 1.407 11.680 6.024 1.00 2.62 H new ATOM 0 HG21 VAL A 73 0.754 10.240 8.644 1.00 2.03 H new ATOM 0 HG22 VAL A 73 -0.150 11.669 8.088 1.00 2.03 H new ATOM 0 HG23 VAL A 73 -1.017 10.167 8.487 1.00 2.03 H new ATOM 1179 N GLN A 74 -2.630 8.764 4.851 1.00 0.74 N ATOM 1180 CA GLN A 74 -3.694 7.746 4.905 1.00 0.76 C ATOM 1181 C GLN A 74 -3.228 6.463 4.190 1.00 1.02 C ATOM 1182 O GLN A 74 -2.501 6.559 3.203 1.00 1.31 O ATOM 1183 CB GLN A 74 -4.982 8.298 4.266 1.00 1.06 C ATOM 1184 CG GLN A 74 -5.513 9.544 5.006 1.00 1.86 C ATOM 1185 CD GLN A 74 -6.832 10.081 4.461 1.00 2.30 C ATOM 1186 OE1 GLN A 74 -6.917 11.190 3.950 1.00 3.09 O ATOM 1187 NE2 GLN A 74 -7.914 9.335 4.569 1.00 2.90 N ATOM 0 H GLN A 74 -2.137 8.780 3.958 1.00 0.74 H new ATOM 0 HA GLN A 74 -3.908 7.500 5.945 1.00 0.76 H new ATOM 0 HB2 GLN A 74 -4.788 8.552 3.224 1.00 1.06 H new ATOM 0 HB3 GLN A 74 -5.748 7.522 4.268 1.00 1.06 H new ATOM 0 HG2 GLN A 74 -5.641 9.299 6.060 1.00 1.86 H new ATOM 0 HG3 GLN A 74 -4.762 10.332 4.951 1.00 1.86 H new ATOM 0 HE21 GLN A 74 -7.855 8.409 4.993 1.00 2.90 H new ATOM 0 HE22 GLN A 74 -8.810 9.684 4.228 1.00 2.90 H new ATOM 1196 N VAL A 75 -3.595 5.271 4.678 1.00 0.71 N ATOM 1197 CA VAL A 75 -3.064 3.992 4.151 1.00 0.67 C ATOM 1198 C VAL A 75 -4.106 3.350 3.228 1.00 0.85 C ATOM 1199 O VAL A 75 -5.296 3.356 3.541 1.00 1.19 O ATOM 1200 CB VAL A 75 -2.683 2.979 5.265 1.00 0.76 C ATOM 1201 CG1 VAL A 75 -1.658 1.972 4.722 1.00 0.78 C ATOM 1202 CG2 VAL A 75 -2.045 3.609 6.509 1.00 1.21 C ATOM 0 H VAL A 75 -4.261 5.158 5.442 1.00 0.71 H new ATOM 0 HA VAL A 75 -2.150 4.232 3.608 1.00 0.67 H new ATOM 0 HB VAL A 75 -3.627 2.520 5.557 1.00 0.76 H new ATOM 0 HG11 VAL A 75 -1.393 1.263 5.507 1.00 0.78 H new ATOM 0 HG12 VAL A 75 -2.089 1.434 3.877 1.00 0.78 H new ATOM 0 HG13 VAL A 75 -0.764 2.503 4.396 1.00 0.78 H new ATOM 0 HG21 VAL A 75 -1.812 2.828 7.233 1.00 1.21 H new ATOM 0 HG22 VAL A 75 -1.128 4.126 6.225 1.00 1.21 H new ATOM 0 HG23 VAL A 75 -2.740 4.321 6.954 1.00 1.21 H new ATOM 1212 N ILE A 76 -3.678 2.759 2.110 1.00 0.57 N ATOM 1213 CA ILE A 76 -4.555 2.038 1.173 1.00 0.54 C ATOM 1214 C ILE A 76 -3.999 0.625 0.897 1.00 0.71 C ATOM 1215 O ILE A 76 -2.863 0.446 0.454 1.00 0.96 O ATOM 1216 CB ILE A 76 -4.743 2.865 -0.120 1.00 0.60 C ATOM 1217 CG1 ILE A 76 -5.280 4.305 0.086 1.00 0.90 C ATOM 1218 CG2 ILE A 76 -5.656 2.112 -1.103 1.00 0.67 C ATOM 1219 CD1 ILE A 76 -6.694 4.452 0.645 1.00 1.56 C ATOM 0 H ILE A 76 -2.699 2.766 1.822 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.541 1.909 1.620 1.00 0.54 H new ATOM 0 HB ILE A 76 -3.738 2.982 -0.525 1.00 0.60 H new ATOM 0 HG12 ILE A 76 -4.597 4.827 0.756 1.00 0.90 H new ATOM 0 HG13 ILE A 76 -5.242 4.820 -0.874 1.00 0.90 H new ATOM 0 HG21 ILE A 76 -5.781 2.704 -2.010 1.00 0.67 H new ATOM 0 HG22 ILE A 76 -5.205 1.152 -1.356 1.00 0.67 H new ATOM 0 HG23 ILE A 76 -6.629 1.946 -0.641 1.00 0.67 H new ATOM 0 HD11 ILE A 76 -6.940 5.510 0.738 1.00 1.56 H new ATOM 0 HD12 ILE A 76 -7.403 3.972 -0.029 1.00 1.56 H new ATOM 0 HD13 ILE A 76 -6.748 3.979 1.626 1.00 1.56 H new ATOM 1231 N PHE A 77 -4.833 -0.392 1.136 1.00 0.53 N ATOM 1232 CA PHE A 77 -4.547 -1.786 0.812 1.00 0.53 C ATOM 1233 C PHE A 77 -5.235 -2.116 -0.513 1.00 1.46 C ATOM 1234 O PHE A 77 -6.460 -2.025 -0.617 1.00 1.86 O ATOM 1235 CB PHE A 77 -5.041 -2.707 1.939 1.00 0.60 C ATOM 1236 CG PHE A 77 -4.773 -4.176 1.675 1.00 0.75 C ATOM 1237 CD1 PHE A 77 -3.551 -4.753 2.073 1.00 1.80 C ATOM 1238 CD2 PHE A 77 -5.734 -4.964 1.013 1.00 1.89 C ATOM 1239 CE1 PHE A 77 -3.296 -6.113 1.818 1.00 1.64 C ATOM 1240 CE2 PHE A 77 -5.480 -6.320 0.753 1.00 1.95 C ATOM 1241 CZ PHE A 77 -4.263 -6.897 1.163 1.00 0.93 C ATOM 0 H PHE A 77 -5.747 -0.262 1.571 1.00 0.53 H new ATOM 0 HA PHE A 77 -3.473 -1.942 0.714 1.00 0.53 H new ATOM 0 HB2 PHE A 77 -4.557 -2.419 2.872 1.00 0.60 H new ATOM 0 HB3 PHE A 77 -6.112 -2.559 2.076 1.00 0.60 H new ATOM 0 HD1 PHE A 77 -2.808 -4.150 2.575 1.00 1.80 H new ATOM 0 HD2 PHE A 77 -6.670 -4.523 0.704 1.00 1.89 H new ATOM 0 HE1 PHE A 77 -2.359 -6.554 2.125 1.00 1.64 H new ATOM 0 HE2 PHE A 77 -6.217 -6.920 0.239 1.00 1.95 H new ATOM 0 HZ PHE A 77 -4.072 -7.943 0.974 1.00 0.93 H new ATOM 1251 N VAL A 78 -4.447 -2.516 -1.511 1.00 0.50 N ATOM 1252 CA VAL A 78 -4.945 -2.952 -2.821 1.00 0.54 C ATOM 1253 C VAL A 78 -4.848 -4.472 -2.914 1.00 0.80 C ATOM 1254 O VAL A 78 -3.785 -5.073 -2.762 1.00 1.01 O ATOM 1255 CB VAL A 78 -4.221 -2.255 -3.993 1.00 0.61 C ATOM 1256 CG1 VAL A 78 -4.670 -2.803 -5.361 1.00 0.97 C ATOM 1257 CG2 VAL A 78 -4.538 -0.751 -3.958 1.00 1.15 C ATOM 0 H VAL A 78 -3.430 -2.548 -1.434 1.00 0.50 H new ATOM 0 HA VAL A 78 -5.990 -2.655 -2.908 1.00 0.54 H new ATOM 0 HB VAL A 78 -3.154 -2.444 -3.876 1.00 0.61 H new ATOM 0 HG11 VAL A 78 -4.134 -2.283 -6.155 1.00 0.97 H new ATOM 0 HG12 VAL A 78 -4.453 -3.870 -5.415 1.00 0.97 H new ATOM 0 HG13 VAL A 78 -5.742 -2.645 -5.482 1.00 0.97 H new ATOM 0 HG21 VAL A 78 -4.030 -0.253 -4.783 1.00 1.15 H new ATOM 0 HG22 VAL A 78 -5.614 -0.604 -4.053 1.00 1.15 H new ATOM 0 HG23 VAL A 78 -4.196 -0.329 -3.013 1.00 1.15 H new ATOM 1267 N SER A 79 -6.003 -5.078 -3.151 1.00 0.64 N ATOM 1268 CA SER A 79 -6.197 -6.525 -3.252 1.00 0.68 C ATOM 1269 C SER A 79 -5.797 -7.032 -4.649 1.00 0.83 C ATOM 1270 O SER A 79 -6.288 -6.502 -5.646 1.00 1.25 O ATOM 1271 CB SER A 79 -7.667 -6.857 -2.989 1.00 1.05 C ATOM 1272 OG SER A 79 -8.181 -6.114 -1.896 1.00 2.49 O ATOM 0 H SER A 79 -6.869 -4.556 -3.284 1.00 0.64 H new ATOM 0 HA SER A 79 -5.566 -7.016 -2.512 1.00 0.68 H new ATOM 0 HB2 SER A 79 -8.254 -6.645 -3.882 1.00 1.05 H new ATOM 0 HB3 SER A 79 -7.769 -7.923 -2.786 1.00 1.05 H new ATOM 0 HG SER A 79 -8.433 -5.217 -2.200 1.00 2.49 H new ATOM 1278 N VAL A 80 -4.932 -8.055 -4.742 1.00 0.73 N ATOM 1279 CA VAL A 80 -4.430 -8.613 -6.031 1.00 0.78 C ATOM 1280 C VAL A 80 -5.044 -9.963 -6.438 1.00 1.18 C ATOM 1281 O VAL A 80 -4.701 -10.485 -7.498 1.00 1.32 O ATOM 1282 CB VAL A 80 -2.886 -8.709 -6.105 1.00 1.06 C ATOM 1283 CG1 VAL A 80 -2.230 -7.346 -5.842 1.00 2.35 C ATOM 1284 CG2 VAL A 80 -2.289 -9.760 -5.159 1.00 1.50 C ATOM 0 H VAL A 80 -4.552 -8.530 -3.923 1.00 0.73 H new ATOM 0 HA VAL A 80 -4.772 -7.872 -6.754 1.00 0.78 H new ATOM 0 HB VAL A 80 -2.666 -9.032 -7.123 1.00 1.06 H new ATOM 0 HG11 VAL A 80 -1.146 -7.446 -5.901 1.00 2.35 H new ATOM 0 HG12 VAL A 80 -2.569 -6.629 -6.589 1.00 2.35 H new ATOM 0 HG13 VAL A 80 -2.508 -6.994 -4.849 1.00 2.35 H new ATOM 0 HG21 VAL A 80 -1.204 -9.771 -5.265 1.00 1.50 H new ATOM 0 HG22 VAL A 80 -2.550 -9.513 -4.130 1.00 1.50 H new ATOM 0 HG23 VAL A 80 -2.688 -10.743 -5.409 1.00 1.50 H new ATOM 1294 N ASP A 81 -5.949 -10.529 -5.632 1.00 0.72 N ATOM 1295 CA ASP A 81 -6.797 -11.655 -6.038 1.00 0.79 C ATOM 1296 C ASP A 81 -8.239 -11.155 -6.290 1.00 1.07 C ATOM 1297 O ASP A 81 -9.006 -10.979 -5.335 1.00 1.54 O ATOM 1298 CB ASP A 81 -6.729 -12.782 -4.998 1.00 1.09 C ATOM 1299 CG ASP A 81 -7.416 -14.076 -5.459 1.00 1.77 C ATOM 1300 OD1 ASP A 81 -8.421 -14.002 -6.202 1.00 2.84 O ATOM 1301 OD2 ASP A 81 -6.944 -15.162 -5.046 1.00 2.35 O ATOM 0 H ASP A 81 -6.115 -10.217 -4.675 1.00 0.72 H new ATOM 0 HA ASP A 81 -6.431 -12.077 -6.974 1.00 0.79 H new ATOM 0 HB2 ASP A 81 -5.684 -12.995 -4.771 1.00 1.09 H new ATOM 0 HB3 ASP A 81 -7.194 -12.442 -4.073 1.00 1.09 H new ATOM 1306 N PRO A 82 -8.629 -10.927 -7.560 1.00 1.02 N ATOM 1307 CA PRO A 82 -9.947 -10.414 -7.927 1.00 1.36 C ATOM 1308 C PRO A 82 -11.045 -11.493 -7.878 1.00 1.40 C ATOM 1309 O PRO A 82 -12.207 -11.167 -8.116 1.00 2.00 O ATOM 1310 CB PRO A 82 -9.767 -9.856 -9.342 1.00 1.91 C ATOM 1311 CG PRO A 82 -8.722 -10.790 -9.945 1.00 1.83 C ATOM 1312 CD PRO A 82 -7.811 -11.085 -8.758 1.00 1.39 C ATOM 0 HA PRO A 82 -10.285 -9.656 -7.220 1.00 1.36 H new ATOM 0 HB2 PRO A 82 -10.700 -9.875 -9.906 1.00 1.91 H new ATOM 0 HB3 PRO A 82 -9.424 -8.821 -9.328 1.00 1.91 H new ATOM 0 HG2 PRO A 82 -9.173 -11.698 -10.345 1.00 1.83 H new ATOM 0 HG3 PRO A 82 -8.180 -10.317 -10.764 1.00 1.83 H new ATOM 0 HD2 PRO A 82 -7.406 -12.095 -8.821 1.00 1.39 H new ATOM 0 HD3 PRO A 82 -6.962 -10.402 -8.741 1.00 1.39 H new ATOM 1320 N GLU A 83 -10.706 -12.757 -7.581 1.00 0.93 N ATOM 1321 CA GLU A 83 -11.660 -13.866 -7.457 1.00 1.05 C ATOM 1322 C GLU A 83 -11.973 -14.183 -5.984 1.00 1.26 C ATOM 1323 O GLU A 83 -13.021 -14.765 -5.697 1.00 1.80 O ATOM 1324 CB GLU A 83 -11.072 -15.109 -8.158 1.00 1.14 C ATOM 1325 CG GLU A 83 -11.178 -15.038 -9.688 1.00 1.67 C ATOM 1326 CD GLU A 83 -9.971 -15.682 -10.372 1.00 2.00 C ATOM 1327 OE1 GLU A 83 -9.955 -16.906 -10.646 1.00 2.63 O ATOM 1328 OE2 GLU A 83 -9.027 -14.930 -10.706 1.00 2.71 O ATOM 0 H GLU A 83 -9.740 -13.041 -7.417 1.00 0.93 H new ATOM 0 HA GLU A 83 -12.598 -13.576 -7.931 1.00 1.05 H new ATOM 0 HB2 GLU A 83 -10.025 -15.218 -7.876 1.00 1.14 H new ATOM 0 HB3 GLU A 83 -11.591 -15.999 -7.804 1.00 1.14 H new ATOM 0 HG2 GLU A 83 -12.090 -15.539 -10.013 1.00 1.67 H new ATOM 0 HG3 GLU A 83 -11.259 -13.996 -9.999 1.00 1.67 H new ATOM 1335 N ARG A 84 -11.071 -13.833 -5.047 1.00 0.91 N ATOM 1336 CA ARG A 84 -11.106 -14.318 -3.654 1.00 0.99 C ATOM 1337 C ARG A 84 -10.636 -13.329 -2.576 1.00 1.23 C ATOM 1338 O ARG A 84 -10.787 -13.651 -1.396 1.00 1.54 O ATOM 1339 CB ARG A 84 -10.296 -15.620 -3.532 1.00 1.23 C ATOM 1340 CG ARG A 84 -10.812 -16.758 -4.424 1.00 2.23 C ATOM 1341 CD ARG A 84 -10.011 -18.037 -4.200 1.00 2.46 C ATOM 1342 NE ARG A 84 -10.339 -18.688 -2.920 1.00 2.59 N ATOM 1343 CZ ARG A 84 -9.555 -19.551 -2.285 1.00 3.65 C ATOM 1344 NH1 ARG A 84 -8.348 -19.804 -2.724 1.00 4.60 N ATOM 1345 NH2 ARG A 84 -9.962 -20.178 -1.205 1.00 4.66 N ATOM 0 H ARG A 84 -10.293 -13.202 -5.237 1.00 0.91 H new ATOM 0 HA ARG A 84 -12.166 -14.474 -3.452 1.00 0.99 H new ATOM 0 HB2 ARG A 84 -9.256 -15.415 -3.786 1.00 1.23 H new ATOM 0 HB3 ARG A 84 -10.311 -15.950 -2.493 1.00 1.23 H new ATOM 0 HG2 ARG A 84 -11.865 -16.943 -4.211 1.00 2.23 H new ATOM 0 HG3 ARG A 84 -10.746 -16.462 -5.471 1.00 2.23 H new ATOM 0 HD2 ARG A 84 -10.204 -18.731 -5.018 1.00 2.46 H new ATOM 0 HD3 ARG A 84 -8.946 -17.805 -4.224 1.00 2.46 H new ATOM 0 HE ARG A 84 -11.235 -18.459 -2.490 1.00 2.59 H new ATOM 0 HH11 ARG A 84 -8.002 -19.336 -3.562 1.00 4.60 H new ATOM 0 HH12 ARG A 84 -7.754 -20.469 -2.228 1.00 4.60 H new ATOM 0 HH21 ARG A 84 -10.898 -20.006 -0.838 1.00 4.66 H new ATOM 0 HH22 ARG A 84 -9.342 -20.837 -0.734 1.00 4.66 H new ATOM 1359 N ASP A 85 -10.142 -12.130 -2.908 1.00 0.83 N ATOM 1360 CA ASP A 85 -9.896 -11.053 -1.924 1.00 0.85 C ATOM 1361 C ASP A 85 -10.914 -9.900 -2.110 1.00 1.01 C ATOM 1362 O ASP A 85 -10.540 -8.833 -2.594 1.00 1.25 O ATOM 1363 CB ASP A 85 -8.426 -10.566 -2.014 1.00 0.98 C ATOM 1364 CG ASP A 85 -7.951 -9.778 -0.786 1.00 1.44 C ATOM 1365 OD1 ASP A 85 -8.654 -9.826 0.248 1.00 2.11 O ATOM 1366 OD2 ASP A 85 -6.818 -9.244 -0.829 1.00 2.62 O ATOM 0 H ASP A 85 -9.899 -11.873 -3.865 1.00 0.83 H new ATOM 0 HA ASP A 85 -10.044 -11.447 -0.918 1.00 0.85 H new ATOM 0 HB2 ASP A 85 -7.776 -11.430 -2.152 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -8.315 -9.940 -2.899 1.00 0.98 H new ATOM 1371 N PRO A 86 -12.224 -10.092 -1.827 1.00 0.69 N ATOM 1372 CA PRO A 86 -13.268 -9.105 -2.127 1.00 0.81 C ATOM 1373 C PRO A 86 -13.144 -7.873 -1.217 1.00 0.93 C ATOM 1374 O PRO A 86 -12.665 -8.005 -0.086 1.00 0.74 O ATOM 1375 CB PRO A 86 -14.596 -9.842 -1.932 1.00 0.83 C ATOM 1376 CG PRO A 86 -14.258 -10.880 -0.867 1.00 0.81 C ATOM 1377 CD PRO A 86 -12.824 -11.271 -1.219 1.00 0.74 C ATOM 0 HA PRO A 86 -13.185 -8.718 -3.143 1.00 0.81 H new ATOM 0 HB2 PRO A 86 -15.387 -9.168 -1.603 1.00 0.83 H new ATOM 0 HB3 PRO A 86 -14.939 -10.308 -2.856 1.00 0.83 H new ATOM 0 HG2 PRO A 86 -14.329 -10.466 0.139 1.00 0.81 H new ATOM 0 HG3 PRO A 86 -14.932 -11.736 -0.908 1.00 0.81 H new ATOM 0 HD2 PRO A 86 -12.273 -11.574 -0.329 1.00 0.74 H new ATOM 0 HD3 PRO A 86 -12.808 -12.116 -1.907 1.00 0.74 H new ATOM 1385 N PRO A 87 -13.601 -6.679 -1.660 1.00 0.52 N ATOM 1386 CA PRO A 87 -13.217 -5.400 -1.056 1.00 0.67 C ATOM 1387 C PRO A 87 -13.644 -5.295 0.407 1.00 0.92 C ATOM 1388 O PRO A 87 -12.959 -4.668 1.207 1.00 0.77 O ATOM 1389 CB PRO A 87 -13.889 -4.315 -1.910 1.00 0.72 C ATOM 1390 CG PRO A 87 -15.069 -5.031 -2.564 1.00 0.68 C ATOM 1391 CD PRO A 87 -14.545 -6.458 -2.752 1.00 0.56 C ATOM 0 HA PRO A 87 -12.132 -5.292 -1.044 1.00 0.67 H new ATOM 0 HB2 PRO A 87 -14.221 -3.476 -1.299 1.00 0.72 H new ATOM 0 HB3 PRO A 87 -13.203 -3.914 -2.656 1.00 0.72 H new ATOM 0 HG2 PRO A 87 -15.956 -5.007 -1.932 1.00 0.68 H new ATOM 0 HG3 PRO A 87 -15.342 -4.573 -3.515 1.00 0.68 H new ATOM 0 HD2 PRO A 87 -15.359 -7.182 -2.718 1.00 0.56 H new ATOM 0 HD3 PRO A 87 -14.057 -6.572 -3.720 1.00 0.56 H new ATOM 1399 N GLU A 88 -14.745 -5.957 0.765 1.00 0.53 N ATOM 1400 CA GLU A 88 -15.254 -6.019 2.127 1.00 0.59 C ATOM 1401 C GLU A 88 -14.298 -6.779 3.052 1.00 0.96 C ATOM 1402 O GLU A 88 -14.022 -6.310 4.148 1.00 1.16 O ATOM 1403 CB GLU A 88 -16.621 -6.714 2.115 1.00 0.81 C ATOM 1404 CG GLU A 88 -17.640 -6.013 1.203 1.00 1.50 C ATOM 1405 CD GLU A 88 -18.924 -6.824 1.103 1.00 2.65 C ATOM 1406 OE1 GLU A 88 -18.815 -8.004 0.699 1.00 3.70 O ATOM 1407 OE2 GLU A 88 -19.978 -6.250 1.442 1.00 3.42 O ATOM 0 H GLU A 88 -15.317 -6.475 0.098 1.00 0.53 H new ATOM 0 HA GLU A 88 -15.346 -5.002 2.508 1.00 0.59 H new ATOM 0 HB2 GLU A 88 -16.496 -7.746 1.786 1.00 0.81 H new ATOM 0 HB3 GLU A 88 -17.014 -6.749 3.131 1.00 0.81 H new ATOM 0 HG2 GLU A 88 -17.861 -5.020 1.594 1.00 1.50 H new ATOM 0 HG3 GLU A 88 -17.212 -5.877 0.210 1.00 1.50 H new ATOM 1414 N VAL A 89 -13.778 -7.935 2.628 1.00 0.55 N ATOM 1415 CA VAL A 89 -12.870 -8.783 3.426 1.00 0.56 C ATOM 1416 C VAL A 89 -11.503 -8.112 3.548 1.00 0.81 C ATOM 1417 O VAL A 89 -10.939 -8.048 4.641 1.00 0.69 O ATOM 1418 CB VAL A 89 -12.729 -10.195 2.810 1.00 0.61 C ATOM 1419 CG1 VAL A 89 -11.653 -11.056 3.497 1.00 0.76 C ATOM 1420 CG2 VAL A 89 -14.070 -10.946 2.898 1.00 0.93 C ATOM 0 H VAL A 89 -13.976 -8.320 1.704 1.00 0.55 H new ATOM 0 HA VAL A 89 -13.300 -8.900 4.421 1.00 0.56 H new ATOM 0 HB VAL A 89 -12.426 -10.041 1.774 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -11.607 -12.033 3.016 1.00 0.76 H new ATOM 0 HG12 VAL A 89 -10.684 -10.564 3.412 1.00 0.76 H new ATOM 0 HG13 VAL A 89 -11.905 -11.182 4.550 1.00 0.76 H new ATOM 0 HG21 VAL A 89 -13.960 -11.939 2.462 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -14.367 -11.039 3.943 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -14.834 -10.392 2.352 1.00 0.93 H new ATOM 1430 N ALA A 90 -11.012 -7.563 2.430 1.00 0.55 N ATOM 1431 CA ALA A 90 -9.778 -6.792 2.361 1.00 0.57 C ATOM 1432 C ALA A 90 -9.817 -5.578 3.310 1.00 0.77 C ATOM 1433 O ALA A 90 -8.870 -5.360 4.066 1.00 0.89 O ATOM 1434 CB ALA A 90 -9.561 -6.413 0.888 1.00 0.62 C ATOM 0 H ALA A 90 -11.479 -7.649 1.528 1.00 0.55 H new ATOM 0 HA ALA A 90 -8.927 -7.380 2.705 1.00 0.57 H new ATOM 0 HB1 ALA A 90 -8.643 -5.832 0.793 1.00 0.62 H new ATOM 0 HB2 ALA A 90 -9.481 -7.319 0.287 1.00 0.62 H new ATOM 0 HB3 ALA A 90 -10.404 -5.818 0.537 1.00 0.62 H new ATOM 1440 N ASP A 91 -10.926 -4.832 3.336 1.00 0.52 N ATOM 1441 CA ASP A 91 -11.121 -3.716 4.263 1.00 0.53 C ATOM 1442 C ASP A 91 -11.354 -4.148 5.712 1.00 0.98 C ATOM 1443 O ASP A 91 -10.776 -3.527 6.591 1.00 1.01 O ATOM 1444 CB ASP A 91 -12.264 -2.814 3.807 1.00 0.55 C ATOM 1445 CG ASP A 91 -12.252 -1.498 4.596 1.00 0.70 C ATOM 1446 OD1 ASP A 91 -11.456 -0.593 4.248 1.00 1.93 O ATOM 1447 OD2 ASP A 91 -13.031 -1.362 5.563 1.00 1.68 O ATOM 0 H ASP A 91 -11.717 -4.987 2.711 1.00 0.52 H new ATOM 0 HA ASP A 91 -10.183 -3.162 4.245 1.00 0.53 H new ATOM 0 HB2 ASP A 91 -12.170 -2.607 2.741 1.00 0.55 H new ATOM 0 HB3 ASP A 91 -13.217 -3.323 3.950 1.00 0.55 H new ATOM 1452 N ARG A 92 -12.132 -5.202 5.993 1.00 0.64 N ATOM 1453 CA ARG A 92 -12.258 -5.755 7.354 1.00 0.74 C ATOM 1454 C ARG A 92 -10.877 -6.014 7.959 1.00 1.13 C ATOM 1455 O ARG A 92 -10.605 -5.612 9.086 1.00 1.41 O ATOM 1456 CB ARG A 92 -13.020 -7.090 7.334 1.00 0.89 C ATOM 1457 CG ARG A 92 -14.487 -6.973 6.919 1.00 1.12 C ATOM 1458 CD ARG A 92 -15.501 -7.047 8.055 1.00 1.39 C ATOM 1459 NE ARG A 92 -15.457 -5.823 8.872 1.00 2.58 N ATOM 1460 CZ ARG A 92 -16.303 -5.499 9.840 1.00 3.70 C ATOM 1461 NH1 ARG A 92 -17.310 -6.283 10.175 1.00 3.73 N ATOM 1462 NH2 ARG A 92 -16.131 -4.368 10.489 1.00 5.28 N ATOM 0 H ARG A 92 -12.688 -5.693 5.293 1.00 0.64 H new ATOM 0 HA ARG A 92 -12.802 -5.023 7.951 1.00 0.74 H new ATOM 0 HB2 ARG A 92 -12.515 -7.773 6.651 1.00 0.89 H new ATOM 0 HB3 ARG A 92 -12.970 -7.538 8.327 1.00 0.89 H new ATOM 0 HG2 ARG A 92 -14.623 -6.027 6.395 1.00 1.12 H new ATOM 0 HG3 ARG A 92 -14.709 -7.767 6.206 1.00 1.12 H new ATOM 0 HD2 ARG A 92 -16.503 -7.182 7.647 1.00 1.39 H new ATOM 0 HD3 ARG A 92 -15.292 -7.915 8.680 1.00 1.39 H new ATOM 0 HE ARG A 92 -14.705 -5.162 8.675 1.00 2.58 H new ATOM 0 HH11 ARG A 92 -17.454 -7.166 9.685 1.00 3.73 H new ATOM 0 HH12 ARG A 92 -17.944 -6.006 10.924 1.00 3.73 H new ATOM 0 HH21 ARG A 92 -15.355 -3.753 10.245 1.00 5.28 H new ATOM 0 HH22 ARG A 92 -16.774 -4.106 11.236 1.00 5.28 H new ATOM 1476 N TYR A 93 -10.018 -6.666 7.184 1.00 0.66 N ATOM 1477 CA TYR A 93 -8.631 -6.951 7.549 1.00 0.66 C ATOM 1478 C TYR A 93 -7.814 -5.665 7.768 1.00 1.02 C ATOM 1479 O TYR A 93 -7.262 -5.455 8.848 1.00 1.26 O ATOM 1480 CB TYR A 93 -8.006 -7.864 6.476 1.00 0.69 C ATOM 1481 CG TYR A 93 -6.842 -8.689 6.987 1.00 0.96 C ATOM 1482 CD1 TYR A 93 -5.680 -8.058 7.480 1.00 1.85 C ATOM 1483 CD2 TYR A 93 -6.946 -10.094 7.024 1.00 1.98 C ATOM 1484 CE1 TYR A 93 -4.665 -8.819 8.080 1.00 2.03 C ATOM 1485 CE2 TYR A 93 -5.922 -10.863 7.609 1.00 2.22 C ATOM 1486 CZ TYR A 93 -4.796 -10.222 8.169 1.00 1.63 C ATOM 1487 OH TYR A 93 -3.859 -10.955 8.820 1.00 2.16 O ATOM 0 H TYR A 93 -10.271 -7.021 6.262 1.00 0.66 H new ATOM 0 HA TYR A 93 -8.616 -7.473 8.506 1.00 0.66 H new ATOM 0 HB2 TYR A 93 -8.774 -8.534 6.089 1.00 0.69 H new ATOM 0 HB3 TYR A 93 -7.667 -7.251 5.641 1.00 0.69 H new ATOM 0 HD1 TYR A 93 -5.572 -6.987 7.395 1.00 1.85 H new ATOM 0 HD2 TYR A 93 -7.813 -10.582 6.603 1.00 1.98 H new ATOM 0 HE1 TYR A 93 -3.785 -8.332 8.473 1.00 2.03 H new ATOM 0 HE2 TYR A 93 -5.998 -11.940 7.629 1.00 2.22 H new ATOM 0 HH TYR A 93 -4.104 -11.903 8.787 1.00 2.16 H new ATOM 1497 N ALA A 94 -7.752 -4.784 6.766 1.00 0.61 N ATOM 1498 CA ALA A 94 -6.993 -3.534 6.807 1.00 0.64 C ATOM 1499 C ALA A 94 -7.456 -2.597 7.943 1.00 0.83 C ATOM 1500 O ALA A 94 -6.662 -2.143 8.765 1.00 0.88 O ATOM 1501 CB ALA A 94 -7.131 -2.905 5.415 1.00 0.74 C ATOM 0 H ALA A 94 -8.241 -4.925 5.882 1.00 0.61 H new ATOM 0 HA ALA A 94 -5.944 -3.722 7.037 1.00 0.64 H new ATOM 0 HB1 ALA A 94 -6.582 -1.964 5.385 1.00 0.74 H new ATOM 0 HB2 ALA A 94 -6.726 -3.586 4.666 1.00 0.74 H new ATOM 0 HB3 ALA A 94 -8.184 -2.718 5.203 1.00 0.74 H new ATOM 1507 N LYS A 95 -8.761 -2.363 8.054 1.00 0.70 N ATOM 1508 CA LYS A 95 -9.382 -1.516 9.075 1.00 0.84 C ATOM 1509 C LYS A 95 -9.264 -2.087 10.502 1.00 1.03 C ATOM 1510 O LYS A 95 -9.321 -1.315 11.460 1.00 1.22 O ATOM 1511 CB LYS A 95 -10.858 -1.276 8.700 1.00 1.05 C ATOM 1512 CG LYS A 95 -11.456 -0.002 9.330 1.00 1.37 C ATOM 1513 CD LYS A 95 -11.343 1.204 8.387 1.00 1.24 C ATOM 1514 CE LYS A 95 -12.423 1.145 7.300 1.00 1.24 C ATOM 1515 NZ LYS A 95 -11.876 1.445 5.966 1.00 1.55 N ATOM 0 H LYS A 95 -9.442 -2.772 7.414 1.00 0.70 H new ATOM 0 HA LYS A 95 -8.838 -0.572 9.092 1.00 0.84 H new ATOM 0 HB2 LYS A 95 -10.942 -1.209 7.615 1.00 1.05 H new ATOM 0 HB3 LYS A 95 -11.448 -2.137 9.013 1.00 1.05 H new ATOM 0 HG2 LYS A 95 -12.504 -0.175 9.576 1.00 1.37 H new ATOM 0 HG3 LYS A 95 -10.941 0.218 10.265 1.00 1.37 H new ATOM 0 HD2 LYS A 95 -11.443 2.128 8.957 1.00 1.24 H new ATOM 0 HD3 LYS A 95 -10.356 1.220 7.925 1.00 1.24 H new ATOM 0 HE2 LYS A 95 -12.876 0.154 7.292 1.00 1.24 H new ATOM 0 HE3 LYS A 95 -13.215 1.856 7.536 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 -12.618 1.872 5.375 1.00 1.55 H new ATOM 0 HZ2 LYS A 95 -11.081 2.110 6.058 1.00 1.55 H new ATOM 0 HZ3 LYS A 95 -11.542 0.566 5.522 1.00 1.55 H new ATOM 1529 N ALA A 96 -9.091 -3.407 10.681 1.00 0.85 N ATOM 1530 CA ALA A 96 -8.925 -4.009 12.012 1.00 1.00 C ATOM 1531 C ALA A 96 -7.632 -3.554 12.711 1.00 1.18 C ATOM 1532 O ALA A 96 -7.606 -3.469 13.936 1.00 1.44 O ATOM 1533 CB ALA A 96 -8.992 -5.535 11.903 1.00 1.01 C ATOM 0 H ALA A 96 -9.063 -4.080 9.915 1.00 0.85 H new ATOM 0 HA ALA A 96 -9.745 -3.659 12.639 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -8.868 -5.976 12.892 1.00 1.01 H new ATOM 0 HB2 ALA A 96 -9.958 -5.828 11.493 1.00 1.01 H new ATOM 0 HB3 ALA A 96 -8.197 -5.888 11.246 1.00 1.01 H new ATOM 1539 N PHE A 97 -6.595 -3.197 11.943 1.00 0.94 N ATOM 1540 CA PHE A 97 -5.402 -2.542 12.475 1.00 1.01 C ATOM 1541 C PHE A 97 -5.652 -1.127 12.989 1.00 2.08 C ATOM 1542 O PHE A 97 -5.085 -0.743 14.011 1.00 2.40 O ATOM 1543 CB PHE A 97 -4.311 -2.528 11.396 1.00 1.07 C ATOM 1544 CG PHE A 97 -3.489 -3.773 11.523 1.00 1.13 C ATOM 1545 CD1 PHE A 97 -3.855 -4.941 10.829 1.00 1.98 C ATOM 1546 CD2 PHE A 97 -2.476 -3.801 12.490 1.00 2.67 C ATOM 1547 CE1 PHE A 97 -3.197 -6.144 11.111 1.00 1.85 C ATOM 1548 CE2 PHE A 97 -1.822 -5.011 12.773 1.00 2.73 C ATOM 1549 CZ PHE A 97 -2.185 -6.183 12.088 1.00 1.40 C ATOM 0 H PHE A 97 -6.563 -3.356 10.936 1.00 0.94 H new ATOM 0 HA PHE A 97 -5.083 -3.121 13.341 1.00 1.01 H new ATOM 0 HB2 PHE A 97 -4.761 -2.473 10.405 1.00 1.07 H new ATOM 0 HB3 PHE A 97 -3.680 -1.646 11.509 1.00 1.07 H new ATOM 0 HD1 PHE A 97 -4.637 -4.910 10.085 1.00 1.98 H new ATOM 0 HD2 PHE A 97 -2.200 -2.898 13.014 1.00 2.67 H new ATOM 0 HE1 PHE A 97 -3.467 -7.044 10.578 1.00 1.85 H new ATOM 0 HE2 PHE A 97 -1.040 -5.041 13.517 1.00 2.73 H new ATOM 0 HZ PHE A 97 -1.687 -7.115 12.312 1.00 1.40 H new ATOM 1559 N HIS A 98 -6.440 -0.339 12.258 1.00 1.04 N ATOM 1560 CA HIS A 98 -6.695 1.071 12.491 1.00 1.07 C ATOM 1561 C HIS A 98 -7.747 1.626 11.501 1.00 1.33 C ATOM 1562 O HIS A 98 -7.813 1.140 10.365 1.00 1.44 O ATOM 1563 CB HIS A 98 -5.368 1.832 12.371 1.00 1.12 C ATOM 1564 CG HIS A 98 -4.613 1.751 11.066 1.00 2.07 C ATOM 1565 ND1 HIS A 98 -5.120 1.645 9.794 1.00 3.22 N ATOM 1566 CD2 HIS A 98 -3.271 1.959 10.929 1.00 3.44 C ATOM 1567 CE1 HIS A 98 -4.108 1.810 8.926 1.00 4.88 C ATOM 1568 NE2 HIS A 98 -2.949 1.965 9.575 1.00 5.15 N ATOM 0 H HIS A 98 -6.942 -0.693 11.444 1.00 1.04 H new ATOM 0 HA HIS A 98 -7.106 1.204 13.492 1.00 1.07 H new ATOM 0 HB2 HIS A 98 -5.568 2.884 12.575 1.00 1.12 H new ATOM 0 HB3 HIS A 98 -4.707 1.475 13.161 1.00 1.12 H new ATOM 0 HD1 HIS A 98 -6.095 1.471 9.551 1.00 3.22 H new ATOM 0 HD2 HIS A 98 -2.572 2.097 11.740 1.00 3.44 H new ATOM 0 HE1 HIS A 98 -4.216 1.817 7.851 1.00 4.88 H new ATOM 1577 N PRO A 99 -8.505 2.686 11.851 1.00 1.14 N ATOM 1578 CA PRO A 99 -9.439 3.333 10.927 1.00 1.38 C ATOM 1579 C PRO A 99 -8.742 4.009 9.730 1.00 1.54 C ATOM 1580 O PRO A 99 -9.382 4.313 8.729 1.00 1.64 O ATOM 1581 CB PRO A 99 -10.212 4.347 11.775 1.00 1.83 C ATOM 1582 CG PRO A 99 -9.223 4.706 12.885 1.00 1.75 C ATOM 1583 CD PRO A 99 -8.497 3.384 13.132 1.00 1.39 C ATOM 0 HA PRO A 99 -10.096 2.593 10.469 1.00 1.38 H new ATOM 0 HB2 PRO A 99 -10.498 5.223 11.193 1.00 1.83 H new ATOM 0 HB3 PRO A 99 -11.130 3.918 12.177 1.00 1.83 H new ATOM 0 HG2 PRO A 99 -8.536 5.493 12.575 1.00 1.75 H new ATOM 0 HG3 PRO A 99 -9.732 5.062 13.781 1.00 1.75 H new ATOM 0 HD2 PRO A 99 -7.478 3.555 13.478 1.00 1.39 H new ATOM 0 HD3 PRO A 99 -9.001 2.798 13.901 1.00 1.39 H new ATOM 1591 N SER A 100 -7.431 4.223 9.829 1.00 1.16 N ATOM 1592 CA SER A 100 -6.514 4.920 8.915 1.00 1.40 C ATOM 1593 C SER A 100 -6.299 4.218 7.547 1.00 1.40 C ATOM 1594 O SER A 100 -5.627 4.769 6.662 1.00 1.59 O ATOM 1595 CB SER A 100 -5.184 5.124 9.700 1.00 1.86 C ATOM 1596 OG SER A 100 -5.423 5.130 11.117 1.00 2.89 O ATOM 0 H SER A 100 -6.924 3.874 10.643 1.00 1.16 H new ATOM 0 HA SER A 100 -6.956 5.873 8.622 1.00 1.40 H new ATOM 0 HB2 SER A 100 -4.482 4.329 9.448 1.00 1.86 H new ATOM 0 HB3 SER A 100 -4.721 6.064 9.401 1.00 1.86 H new ATOM 0 HG SER A 100 -4.573 5.022 11.593 1.00 2.89 H new ATOM 1602 N PHE A 101 -6.875 3.010 7.380 1.00 1.01 N ATOM 1603 CA PHE A 101 -6.869 2.171 6.176 1.00 0.96 C ATOM 1604 C PHE A 101 -8.157 2.266 5.330 1.00 1.95 C ATOM 1605 O PHE A 101 -9.261 2.463 5.842 1.00 2.42 O ATOM 1606 CB PHE A 101 -6.665 0.692 6.575 1.00 1.12 C ATOM 1607 CG PHE A 101 -5.335 0.081 6.171 1.00 1.95 C ATOM 1608 CD1 PHE A 101 -4.901 0.091 4.830 1.00 3.47 C ATOM 1609 CD2 PHE A 101 -4.551 -0.569 7.141 1.00 2.55 C ATOM 1610 CE1 PHE A 101 -3.681 -0.517 4.482 1.00 4.14 C ATOM 1611 CE2 PHE A 101 -3.322 -1.148 6.799 1.00 3.29 C ATOM 1612 CZ PHE A 101 -2.887 -1.131 5.463 1.00 3.79 C ATOM 0 H PHE A 101 -7.392 2.569 8.140 1.00 1.01 H new ATOM 0 HA PHE A 101 -6.051 2.546 5.561 1.00 0.96 H new ATOM 0 HB2 PHE A 101 -6.769 0.608 7.657 1.00 1.12 H new ATOM 0 HB3 PHE A 101 -7.466 0.101 6.131 1.00 1.12 H new ATOM 0 HD1 PHE A 101 -5.505 0.565 4.070 1.00 3.47 H new ATOM 0 HD2 PHE A 101 -4.901 -0.622 8.161 1.00 2.55 H new ATOM 0 HE1 PHE A 101 -3.353 -0.511 3.453 1.00 4.14 H new ATOM 0 HE2 PHE A 101 -2.710 -1.607 7.561 1.00 3.29 H new ATOM 0 HZ PHE A 101 -1.947 -1.588 5.192 1.00 3.79 H new ATOM 1622 N LEU A 102 -8.014 1.947 4.039 1.00 0.86 N ATOM 1623 CA LEU A 102 -9.089 1.610 3.099 1.00 0.81 C ATOM 1624 C LEU A 102 -8.663 0.365 2.303 1.00 0.99 C ATOM 1625 O LEU A 102 -7.563 0.359 1.754 1.00 1.27 O ATOM 1626 CB LEU A 102 -9.298 2.816 2.160 1.00 0.85 C ATOM 1627 CG LEU A 102 -10.710 3.081 1.616 1.00 1.07 C ATOM 1628 CD1 LEU A 102 -11.342 1.851 0.956 1.00 1.44 C ATOM 1629 CD2 LEU A 102 -11.636 3.618 2.719 1.00 2.15 C ATOM 0 H LEU A 102 -7.095 1.915 3.598 1.00 0.86 H new ATOM 0 HA LEU A 102 -10.023 1.394 3.618 1.00 0.81 H new ATOM 0 HB2 LEU A 102 -8.973 3.711 2.691 1.00 0.85 H new ATOM 0 HB3 LEU A 102 -8.631 2.692 1.307 1.00 0.85 H new ATOM 0 HG LEU A 102 -10.594 3.838 0.841 1.00 1.07 H new ATOM 0 HD11 LEU A 102 -12.338 2.104 0.593 1.00 1.44 H new ATOM 0 HD12 LEU A 102 -10.722 1.528 0.120 1.00 1.44 H new ATOM 0 HD13 LEU A 102 -11.416 1.044 1.685 1.00 1.44 H new ATOM 0 HD21 LEU A 102 -12.629 3.797 2.306 1.00 2.15 H new ATOM 0 HD22 LEU A 102 -11.704 2.887 3.524 1.00 2.15 H new ATOM 0 HD23 LEU A 102 -11.232 4.552 3.110 1.00 2.15 H new ATOM 1641 N GLY A 103 -9.504 -0.669 2.247 1.00 0.63 N ATOM 1642 CA GLY A 103 -9.294 -1.891 1.462 1.00 0.57 C ATOM 1643 C GLY A 103 -10.068 -1.844 0.147 1.00 0.71 C ATOM 1644 O GLY A 103 -11.252 -1.505 0.128 1.00 0.82 O ATOM 0 H GLY A 103 -10.383 -0.681 2.765 1.00 0.63 H new ATOM 0 HA2 GLY A 103 -8.231 -2.016 1.257 1.00 0.57 H new ATOM 0 HA3 GLY A 103 -9.611 -2.758 2.042 1.00 0.57 H new ATOM 1648 N LEU A 104 -9.388 -2.169 -0.957 1.00 0.55 N ATOM 1649 CA LEU A 104 -9.900 -2.030 -2.328 1.00 0.56 C ATOM 1650 C LEU A 104 -9.739 -3.328 -3.126 1.00 1.13 C ATOM 1651 O LEU A 104 -8.645 -3.882 -3.185 1.00 1.36 O ATOM 1652 CB LEU A 104 -9.119 -0.903 -3.025 1.00 0.57 C ATOM 1653 CG LEU A 104 -9.286 0.505 -2.421 1.00 0.71 C ATOM 1654 CD1 LEU A 104 -8.401 1.498 -3.184 1.00 0.78 C ATOM 1655 CD2 LEU A 104 -10.739 0.994 -2.489 1.00 1.29 C ATOM 0 H LEU A 104 -8.441 -2.546 -0.923 1.00 0.55 H new ATOM 0 HA LEU A 104 -10.964 -1.799 -2.282 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -8.060 -1.160 -3.012 1.00 0.57 H new ATOM 0 HB3 LEU A 104 -9.426 -0.868 -4.070 1.00 0.57 H new ATOM 0 HG LEU A 104 -8.993 0.446 -1.373 1.00 0.71 H new ATOM 0 HD11 LEU A 104 -8.519 2.494 -2.757 1.00 0.78 H new ATOM 0 HD12 LEU A 104 -7.358 1.191 -3.105 1.00 0.78 H new ATOM 0 HD13 LEU A 104 -8.696 1.516 -4.233 1.00 0.78 H new ATOM 0 HD21 LEU A 104 -10.808 1.990 -2.052 1.00 1.29 H new ATOM 0 HD22 LEU A 104 -11.062 1.031 -3.529 1.00 1.29 H new ATOM 0 HD23 LEU A 104 -11.380 0.309 -1.934 1.00 1.29 H new ATOM 1667 N SER A 105 -10.802 -3.827 -3.749 1.00 0.61 N ATOM 1668 CA SER A 105 -10.746 -4.949 -4.696 1.00 0.60 C ATOM 1669 C SER A 105 -11.827 -4.819 -5.770 1.00 0.91 C ATOM 1670 O SER A 105 -12.851 -4.192 -5.513 1.00 1.23 O ATOM 1671 CB SER A 105 -10.940 -6.267 -3.961 1.00 0.66 C ATOM 1672 OG SER A 105 -10.642 -7.360 -4.802 1.00 0.95 O ATOM 0 H SER A 105 -11.744 -3.461 -3.612 1.00 0.61 H new ATOM 0 HA SER A 105 -9.766 -4.929 -5.174 1.00 0.60 H new ATOM 0 HB2 SER A 105 -10.298 -6.295 -3.080 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.969 -6.344 -3.609 1.00 0.66 H new ATOM 0 HG SER A 105 -10.524 -8.168 -4.259 1.00 0.95 H new ATOM 1678 N GLY A 106 -11.669 -5.450 -6.938 1.00 0.78 N ATOM 1679 CA GLY A 106 -12.690 -5.393 -7.980 1.00 0.94 C ATOM 1680 C GLY A 106 -12.325 -6.126 -9.262 1.00 1.03 C ATOM 1681 O GLY A 106 -11.546 -7.077 -9.266 1.00 1.15 O ATOM 0 H GLY A 106 -10.847 -6.003 -7.182 1.00 0.78 H new ATOM 0 HA2 GLY A 106 -13.616 -5.813 -7.587 1.00 0.94 H new ATOM 0 HA3 GLY A 106 -12.890 -4.348 -8.218 1.00 0.94 H new ATOM 1685 N SER A 107 -12.924 -5.668 -10.352 1.00 0.91 N ATOM 1686 CA SER A 107 -12.764 -6.215 -11.694 1.00 0.96 C ATOM 1687 C SER A 107 -11.279 -6.324 -12.120 1.00 1.06 C ATOM 1688 O SER A 107 -10.509 -5.377 -11.891 1.00 1.07 O ATOM 1689 CB SER A 107 -13.555 -5.333 -12.670 1.00 1.06 C ATOM 1690 OG SER A 107 -14.794 -4.897 -12.124 1.00 2.12 O ATOM 0 H SER A 107 -13.561 -4.872 -10.325 1.00 0.91 H new ATOM 0 HA SER A 107 -13.151 -7.234 -11.705 1.00 0.96 H new ATOM 0 HB2 SER A 107 -12.954 -4.464 -12.939 1.00 1.06 H new ATOM 0 HB3 SER A 107 -13.741 -5.889 -13.589 1.00 1.06 H new ATOM 0 HG SER A 107 -15.262 -4.338 -12.779 1.00 2.12 H new ATOM 1696 N PRO A 108 -10.848 -7.455 -12.725 1.00 0.97 N ATOM 1697 CA PRO A 108 -9.441 -7.740 -13.007 1.00 1.04 C ATOM 1698 C PRO A 108 -8.767 -6.731 -13.947 1.00 1.26 C ATOM 1699 O PRO A 108 -7.570 -6.513 -13.815 1.00 1.15 O ATOM 1700 CB PRO A 108 -9.405 -9.162 -13.581 1.00 1.28 C ATOM 1701 CG PRO A 108 -10.823 -9.398 -14.088 1.00 1.25 C ATOM 1702 CD PRO A 108 -11.663 -8.604 -13.093 1.00 1.09 C ATOM 0 HA PRO A 108 -8.863 -7.653 -12.087 1.00 1.04 H new ATOM 0 HB2 PRO A 108 -8.675 -9.248 -14.386 1.00 1.28 H new ATOM 0 HB3 PRO A 108 -9.128 -9.892 -12.820 1.00 1.28 H new ATOM 0 HG2 PRO A 108 -10.955 -9.039 -15.109 1.00 1.25 H new ATOM 0 HG3 PRO A 108 -11.084 -10.456 -14.087 1.00 1.25 H new ATOM 0 HD2 PRO A 108 -12.606 -8.289 -13.539 1.00 1.09 H new ATOM 0 HD3 PRO A 108 -11.909 -9.207 -12.219 1.00 1.09 H new ATOM 1710 N GLU A 109 -9.503 -6.082 -14.857 1.00 0.98 N ATOM 1711 CA GLU A 109 -9.003 -4.951 -15.660 1.00 0.98 C ATOM 1712 C GLU A 109 -8.645 -3.756 -14.758 1.00 1.06 C ATOM 1713 O GLU A 109 -7.524 -3.246 -14.817 1.00 1.27 O ATOM 1714 CB GLU A 109 -9.968 -4.491 -16.790 1.00 1.14 C ATOM 1715 CG GLU A 109 -11.229 -5.326 -17.070 1.00 1.25 C ATOM 1716 CD GLU A 109 -12.119 -5.365 -15.833 1.00 2.32 C ATOM 1717 OE1 GLU A 109 -12.492 -4.277 -15.347 1.00 3.50 O ATOM 1718 OE2 GLU A 109 -12.227 -6.469 -15.262 1.00 2.96 O ATOM 0 H GLU A 109 -10.472 -6.327 -15.061 1.00 0.98 H new ATOM 0 HA GLU A 109 -8.109 -5.326 -16.157 1.00 0.98 H new ATOM 0 HB2 GLU A 109 -10.289 -3.476 -16.558 1.00 1.14 H new ATOM 0 HB3 GLU A 109 -9.393 -4.440 -17.715 1.00 1.14 H new ATOM 0 HG2 GLU A 109 -11.778 -4.899 -17.909 1.00 1.25 H new ATOM 0 HG3 GLU A 109 -10.947 -6.339 -17.356 1.00 1.25 H new ATOM 1725 N ALA A 110 -9.564 -3.342 -13.873 1.00 0.88 N ATOM 1726 CA ALA A 110 -9.337 -2.265 -12.906 1.00 0.82 C ATOM 1727 C ALA A 110 -8.235 -2.607 -11.886 1.00 0.89 C ATOM 1728 O ALA A 110 -7.362 -1.777 -11.617 1.00 0.86 O ATOM 1729 CB ALA A 110 -10.678 -1.948 -12.228 1.00 0.94 C ATOM 0 H ALA A 110 -10.496 -3.752 -13.810 1.00 0.88 H new ATOM 0 HA ALA A 110 -8.969 -1.382 -13.428 1.00 0.82 H new ATOM 0 HB1 ALA A 110 -10.538 -1.148 -11.501 1.00 0.94 H new ATOM 0 HB2 ALA A 110 -11.401 -1.633 -12.981 1.00 0.94 H new ATOM 0 HB3 ALA A 110 -11.048 -2.838 -11.720 1.00 0.94 H new ATOM 1735 N VAL A 111 -8.205 -3.841 -11.376 1.00 0.76 N ATOM 1736 CA VAL A 111 -7.093 -4.331 -10.532 1.00 0.72 C ATOM 1737 C VAL A 111 -5.764 -4.282 -11.310 1.00 1.04 C ATOM 1738 O VAL A 111 -4.737 -3.874 -10.759 1.00 0.87 O ATOM 1739 CB VAL A 111 -7.376 -5.742 -9.951 1.00 0.77 C ATOM 1740 CG1 VAL A 111 -6.136 -6.395 -9.308 1.00 1.12 C ATOM 1741 CG2 VAL A 111 -8.491 -5.656 -8.895 1.00 1.12 C ATOM 0 H VAL A 111 -8.941 -4.530 -11.530 1.00 0.76 H new ATOM 0 HA VAL A 111 -7.006 -3.663 -9.675 1.00 0.72 H new ATOM 0 HB VAL A 111 -7.678 -6.367 -10.792 1.00 0.77 H new ATOM 0 HG11 VAL A 111 -6.402 -7.379 -8.922 1.00 1.12 H new ATOM 0 HG12 VAL A 111 -5.350 -6.499 -10.056 1.00 1.12 H new ATOM 0 HG13 VAL A 111 -5.778 -5.769 -8.491 1.00 1.12 H new ATOM 0 HG21 VAL A 111 -8.686 -6.649 -8.490 1.00 1.12 H new ATOM 0 HG22 VAL A 111 -8.179 -4.991 -8.090 1.00 1.12 H new ATOM 0 HG23 VAL A 111 -9.399 -5.267 -9.356 1.00 1.12 H new ATOM 1751 N ARG A 112 -5.775 -4.646 -12.604 1.00 0.65 N ATOM 1752 CA ARG A 112 -4.592 -4.577 -13.462 1.00 0.63 C ATOM 1753 C ARG A 112 -4.123 -3.139 -13.718 1.00 0.92 C ATOM 1754 O ARG A 112 -2.911 -2.952 -13.739 1.00 1.05 O ATOM 1755 CB ARG A 112 -4.801 -5.356 -14.767 1.00 0.72 C ATOM 1756 CG ARG A 112 -3.456 -5.591 -15.469 1.00 1.46 C ATOM 1757 CD ARG A 112 -3.557 -6.663 -16.552 1.00 2.03 C ATOM 1758 NE ARG A 112 -4.142 -6.147 -17.807 1.00 2.78 N ATOM 1759 CZ ARG A 112 -4.386 -6.846 -18.914 1.00 3.91 C ATOM 1760 NH1 ARG A 112 -4.123 -8.135 -19.006 1.00 4.49 N ATOM 1761 NH2 ARG A 112 -4.896 -6.245 -19.972 1.00 5.02 N ATOM 0 H ARG A 112 -6.607 -4.996 -13.079 1.00 0.65 H new ATOM 0 HA ARG A 112 -3.782 -5.061 -12.916 1.00 0.63 H new ATOM 0 HB2 ARG A 112 -5.280 -6.312 -14.555 1.00 0.72 H new ATOM 0 HB3 ARG A 112 -5.471 -4.803 -15.425 1.00 0.72 H new ATOM 0 HG2 ARG A 112 -3.111 -4.658 -15.914 1.00 1.46 H new ATOM 0 HG3 ARG A 112 -2.709 -5.888 -14.733 1.00 1.46 H new ATOM 0 HD2 ARG A 112 -2.564 -7.064 -16.756 1.00 2.03 H new ATOM 0 HD3 ARG A 112 -4.165 -7.490 -16.185 1.00 2.03 H new ATOM 0 HE ARG A 112 -4.383 -5.156 -17.827 1.00 2.78 H new ATOM 0 HH11 ARG A 112 -3.718 -8.631 -18.212 1.00 4.49 H new ATOM 0 HH12 ARG A 112 -4.324 -8.636 -19.871 1.00 4.49 H new ATOM 0 HH21 ARG A 112 -5.103 -5.247 -19.941 1.00 5.02 H new ATOM 0 HH22 ARG A 112 -5.084 -6.779 -20.821 1.00 5.02 H new ATOM 1775 N GLU A 113 -5.012 -2.147 -13.823 1.00 0.59 N ATOM 1776 CA GLU A 113 -4.617 -0.727 -13.884 1.00 0.62 C ATOM 1777 C GLU A 113 -3.730 -0.335 -12.690 1.00 1.03 C ATOM 1778 O GLU A 113 -2.607 0.130 -12.878 1.00 1.09 O ATOM 1779 CB GLU A 113 -5.852 0.182 -13.974 1.00 0.76 C ATOM 1780 CG GLU A 113 -6.181 0.511 -15.429 1.00 1.08 C ATOM 1781 CD GLU A 113 -5.226 1.559 -16.001 1.00 2.07 C ATOM 1782 OE1 GLU A 113 -5.502 2.758 -15.798 1.00 3.21 O ATOM 1783 OE2 GLU A 113 -4.229 1.127 -16.617 1.00 2.76 O ATOM 0 H GLU A 113 -6.020 -2.298 -13.868 1.00 0.59 H new ATOM 0 HA GLU A 113 -4.026 -0.589 -14.790 1.00 0.62 H new ATOM 0 HB2 GLU A 113 -6.705 -0.309 -13.506 1.00 0.76 H new ATOM 0 HB3 GLU A 113 -5.672 1.103 -13.420 1.00 0.76 H new ATOM 0 HG2 GLU A 113 -6.126 -0.397 -16.029 1.00 1.08 H new ATOM 0 HG3 GLU A 113 -7.206 0.877 -15.497 1.00 1.08 H new ATOM 1790 N ALA A 114 -4.181 -0.607 -11.460 1.00 0.61 N ATOM 1791 CA ALA A 114 -3.405 -0.277 -10.260 1.00 0.65 C ATOM 1792 C ALA A 114 -2.046 -0.986 -10.218 1.00 0.89 C ATOM 1793 O ALA A 114 -1.035 -0.372 -9.877 1.00 0.97 O ATOM 1794 CB ALA A 114 -4.251 -0.612 -9.025 1.00 0.72 C ATOM 0 H ALA A 114 -5.078 -1.054 -11.270 1.00 0.61 H new ATOM 0 HA ALA A 114 -3.176 0.789 -10.277 1.00 0.65 H new ATOM 0 HB1 ALA A 114 -3.688 -0.372 -8.123 1.00 0.72 H new ATOM 0 HB2 ALA A 114 -5.171 -0.028 -9.045 1.00 0.72 H new ATOM 0 HB3 ALA A 114 -4.496 -1.674 -9.029 1.00 0.72 H new ATOM 1800 N ALA A 115 -2.003 -2.267 -10.584 1.00 0.58 N ATOM 1801 CA ALA A 115 -0.765 -3.032 -10.613 1.00 0.58 C ATOM 1802 C ALA A 115 0.227 -2.506 -11.662 1.00 0.76 C ATOM 1803 O ALA A 115 1.390 -2.233 -11.344 1.00 0.84 O ATOM 1804 CB ALA A 115 -1.136 -4.486 -10.892 1.00 0.61 C ATOM 0 H ALA A 115 -2.826 -2.799 -10.867 1.00 0.58 H new ATOM 0 HA ALA A 115 -0.257 -2.936 -9.654 1.00 0.58 H new ATOM 0 HB1 ALA A 115 -0.231 -5.093 -10.921 1.00 0.61 H new ATOM 0 HB2 ALA A 115 -1.793 -4.852 -10.103 1.00 0.61 H new ATOM 0 HB3 ALA A 115 -1.649 -4.553 -11.851 1.00 0.61 H new ATOM 1810 N GLN A 116 -0.229 -2.366 -12.913 1.00 0.58 N ATOM 1811 CA GLN A 116 0.636 -2.112 -14.067 1.00 0.71 C ATOM 1812 C GLN A 116 1.291 -0.736 -14.013 1.00 1.11 C ATOM 1813 O GLN A 116 2.479 -0.606 -14.304 1.00 1.22 O ATOM 1814 CB GLN A 116 -0.110 -2.401 -15.377 1.00 0.94 C ATOM 1815 CG GLN A 116 -1.133 -1.358 -15.841 1.00 1.87 C ATOM 1816 CD GLN A 116 -2.005 -1.828 -17.022 1.00 2.92 C ATOM 1817 OE1 GLN A 116 -1.985 -2.979 -17.450 1.00 3.04 O ATOM 1818 NE2 GLN A 116 -2.819 -0.977 -17.606 1.00 4.26 N ATOM 0 H GLN A 116 -1.219 -2.427 -13.153 1.00 0.58 H new ATOM 0 HA GLN A 116 1.472 -2.810 -14.028 1.00 0.71 H new ATOM 0 HB2 GLN A 116 0.630 -2.525 -16.168 1.00 0.94 H new ATOM 0 HB3 GLN A 116 -0.625 -3.356 -15.270 1.00 0.94 H new ATOM 0 HG2 GLN A 116 -1.780 -1.099 -15.003 1.00 1.87 H new ATOM 0 HG3 GLN A 116 -0.606 -0.448 -16.129 1.00 1.87 H new ATOM 0 HE21 GLN A 116 -2.866 -0.011 -17.281 1.00 4.26 H new ATOM 0 HE22 GLN A 116 -3.404 -1.282 -18.384 1.00 4.26 H new ATOM 1827 N THR A 117 0.519 0.254 -13.567 1.00 0.72 N ATOM 1828 CA THR A 117 0.923 1.672 -13.511 1.00 0.82 C ATOM 1829 C THR A 117 2.014 1.927 -12.468 1.00 1.05 C ATOM 1830 O THR A 117 2.933 2.722 -12.689 1.00 0.98 O ATOM 1831 CB THR A 117 -0.336 2.519 -13.292 1.00 1.01 C ATOM 1832 OG1 THR A 117 -1.127 2.306 -14.438 1.00 1.43 O ATOM 1833 CG2 THR A 117 -0.058 4.018 -13.178 1.00 1.23 C ATOM 0 H THR A 117 -0.429 0.096 -13.225 1.00 0.72 H new ATOM 0 HA THR A 117 1.382 1.963 -14.456 1.00 0.82 H new ATOM 0 HB THR A 117 -0.806 2.224 -12.354 1.00 1.01 H new ATOM 0 HG1 THR A 117 -1.765 1.582 -14.265 1.00 1.43 H new ATOM 0 HG21 THR A 117 -0.996 4.551 -13.024 1.00 1.23 H new ATOM 0 HG22 THR A 117 0.606 4.202 -12.334 1.00 1.23 H new ATOM 0 HG23 THR A 117 0.414 4.371 -14.095 1.00 1.23 H new ATOM 1841 N PHE A 118 1.955 1.225 -11.337 1.00 0.70 N ATOM 1842 CA PHE A 118 2.994 1.213 -10.307 1.00 0.73 C ATOM 1843 C PHE A 118 4.227 0.405 -10.760 1.00 1.79 C ATOM 1844 O PHE A 118 5.351 0.910 -10.686 1.00 2.24 O ATOM 1845 CB PHE A 118 2.372 0.690 -9.002 1.00 0.75 C ATOM 1846 CG PHE A 118 1.516 1.719 -8.271 1.00 0.85 C ATOM 1847 CD1 PHE A 118 0.384 2.299 -8.882 1.00 2.15 C ATOM 1848 CD2 PHE A 118 1.873 2.127 -6.972 1.00 1.85 C ATOM 1849 CE1 PHE A 118 -0.361 3.281 -8.216 1.00 2.16 C ATOM 1850 CE2 PHE A 118 1.108 3.086 -6.288 1.00 1.73 C ATOM 1851 CZ PHE A 118 -0.010 3.662 -6.909 1.00 1.13 C ATOM 0 H PHE A 118 1.159 0.631 -11.105 1.00 0.70 H new ATOM 0 HA PHE A 118 3.366 2.222 -10.131 1.00 0.73 H new ATOM 0 HB2 PHE A 118 1.760 -0.184 -9.227 1.00 0.75 H new ATOM 0 HB3 PHE A 118 3.170 0.358 -8.338 1.00 0.75 H new ATOM 0 HD1 PHE A 118 0.089 1.983 -9.872 1.00 2.15 H new ATOM 0 HD2 PHE A 118 2.743 1.699 -6.497 1.00 1.85 H new ATOM 0 HE1 PHE A 118 -1.204 3.745 -8.706 1.00 2.16 H new ATOM 0 HE2 PHE A 118 1.380 3.380 -5.285 1.00 1.73 H new ATOM 0 HZ PHE A 118 -0.601 4.398 -6.384 1.00 1.13 H new ATOM 1861 N GLY A 119 3.998 -0.804 -11.293 1.00 0.67 N ATOM 1862 CA GLY A 119 5.017 -1.791 -11.706 1.00 0.68 C ATOM 1863 C GLY A 119 4.906 -3.145 -11.008 1.00 0.75 C ATOM 1864 O GLY A 119 5.915 -3.825 -10.859 1.00 0.86 O ATOM 0 H GLY A 119 3.049 -1.141 -11.458 1.00 0.67 H new ATOM 0 HA2 GLY A 119 4.941 -1.944 -12.783 1.00 0.68 H new ATOM 0 HA3 GLY A 119 6.006 -1.376 -11.512 1.00 0.68 H new ATOM 1868 N VAL A 120 3.709 -3.511 -10.557 1.00 0.56 N ATOM 1869 CA VAL A 120 3.372 -4.773 -9.883 1.00 0.52 C ATOM 1870 C VAL A 120 2.846 -5.803 -10.888 1.00 0.75 C ATOM 1871 O VAL A 120 2.187 -5.470 -11.878 1.00 0.97 O ATOM 1872 CB VAL A 120 2.350 -4.520 -8.749 1.00 0.60 C ATOM 1873 CG1 VAL A 120 1.665 -5.769 -8.159 1.00 0.83 C ATOM 1874 CG2 VAL A 120 3.045 -3.740 -7.627 1.00 1.15 C ATOM 0 H VAL A 120 2.897 -2.902 -10.656 1.00 0.56 H new ATOM 0 HA VAL A 120 4.278 -5.182 -9.436 1.00 0.52 H new ATOM 0 HB VAL A 120 1.539 -3.957 -9.211 1.00 0.60 H new ATOM 0 HG11 VAL A 120 0.972 -5.467 -7.374 1.00 0.83 H new ATOM 0 HG12 VAL A 120 1.119 -6.290 -8.945 1.00 0.83 H new ATOM 0 HG13 VAL A 120 2.420 -6.434 -7.740 1.00 0.83 H new ATOM 0 HG21 VAL A 120 2.336 -3.554 -6.820 1.00 1.15 H new ATOM 0 HG22 VAL A 120 3.885 -4.321 -7.246 1.00 1.15 H new ATOM 0 HG23 VAL A 120 3.409 -2.789 -8.016 1.00 1.15 H new ATOM 1884 N PHE A 121 3.139 -7.064 -10.579 1.00 0.68 N ATOM 1885 CA PHE A 121 2.841 -8.263 -11.345 1.00 0.73 C ATOM 1886 C PHE A 121 2.390 -9.387 -10.393 1.00 1.64 C ATOM 1887 O PHE A 121 2.792 -9.449 -9.231 1.00 1.68 O ATOM 1888 CB PHE A 121 4.096 -8.649 -12.147 1.00 0.80 C ATOM 1889 CG PHE A 121 5.381 -8.705 -11.331 1.00 0.84 C ATOM 1890 CD1 PHE A 121 5.725 -9.890 -10.649 1.00 2.20 C ATOM 1891 CD2 PHE A 121 6.202 -7.561 -11.206 1.00 2.05 C ATOM 1892 CE1 PHE A 121 6.881 -9.940 -9.855 1.00 2.18 C ATOM 1893 CE2 PHE A 121 7.366 -7.621 -10.416 1.00 1.97 C ATOM 1894 CZ PHE A 121 7.707 -8.808 -9.745 1.00 1.09 C ATOM 0 H PHE A 121 3.632 -7.287 -9.714 1.00 0.68 H new ATOM 0 HA PHE A 121 2.024 -8.088 -12.045 1.00 0.73 H new ATOM 0 HB2 PHE A 121 3.931 -9.623 -12.607 1.00 0.80 H new ATOM 0 HB3 PHE A 121 4.227 -7.932 -12.957 1.00 0.80 H new ATOM 0 HD1 PHE A 121 5.096 -10.763 -10.738 1.00 2.20 H new ATOM 0 HD2 PHE A 121 5.938 -6.645 -11.714 1.00 2.05 H new ATOM 0 HE1 PHE A 121 7.136 -10.848 -9.329 1.00 2.18 H new ATOM 0 HE2 PHE A 121 8.000 -6.751 -10.325 1.00 1.97 H new ATOM 0 HZ PHE A 121 8.604 -8.850 -9.145 1.00 1.09 H new ATOM 1904 N TYR A 122 1.493 -10.239 -10.880 1.00 0.77 N ATOM 1905 CA TYR A 122 1.004 -11.422 -10.170 1.00 0.78 C ATOM 1906 C TYR A 122 0.725 -12.576 -11.143 1.00 1.21 C ATOM 1907 O TYR A 122 0.301 -12.328 -12.277 1.00 1.30 O ATOM 1908 CB TYR A 122 -0.232 -11.043 -9.330 1.00 0.84 C ATOM 1909 CG TYR A 122 -1.324 -10.298 -10.080 1.00 0.86 C ATOM 1910 CD1 TYR A 122 -2.275 -11.015 -10.834 1.00 2.22 C ATOM 1911 CD2 TYR A 122 -1.382 -8.888 -10.040 1.00 1.86 C ATOM 1912 CE1 TYR A 122 -3.270 -10.332 -11.559 1.00 2.24 C ATOM 1913 CE2 TYR A 122 -2.388 -8.198 -10.746 1.00 2.04 C ATOM 1914 CZ TYR A 122 -3.329 -8.922 -11.518 1.00 1.26 C ATOM 1915 OH TYR A 122 -4.286 -8.262 -12.228 1.00 1.62 O ATOM 0 H TYR A 122 1.074 -10.125 -11.803 1.00 0.77 H new ATOM 0 HA TYR A 122 1.775 -11.781 -9.488 1.00 0.78 H new ATOM 0 HB2 TYR A 122 -0.659 -11.954 -8.911 1.00 0.84 H new ATOM 0 HB3 TYR A 122 0.094 -10.428 -8.491 1.00 0.84 H new ATOM 0 HD1 TYR A 122 -2.240 -12.094 -10.856 1.00 2.22 H new ATOM 0 HD2 TYR A 122 -0.653 -8.336 -9.466 1.00 1.86 H new ATOM 0 HE1 TYR A 122 -3.987 -10.886 -12.146 1.00 2.24 H new ATOM 0 HE2 TYR A 122 -2.441 -7.120 -10.698 1.00 2.04 H new ATOM 0 HH TYR A 122 -4.188 -7.297 -12.090 1.00 1.62 H new ATOM 1925 N GLN A 123 0.927 -13.833 -10.737 1.00 0.91 N ATOM 1926 CA GLN A 123 0.638 -14.993 -11.588 1.00 1.02 C ATOM 1927 C GLN A 123 0.120 -16.206 -10.793 1.00 1.29 C ATOM 1928 O GLN A 123 0.817 -16.735 -9.926 1.00 1.84 O ATOM 1929 CB GLN A 123 1.893 -15.330 -12.427 1.00 1.10 C ATOM 1930 CG GLN A 123 1.575 -15.651 -13.896 1.00 2.11 C ATOM 1931 CD GLN A 123 0.487 -16.709 -14.063 1.00 3.86 C ATOM 1932 OE1 GLN A 123 -0.633 -16.419 -14.445 1.00 5.06 O ATOM 1933 NE2 GLN A 123 0.732 -17.950 -13.710 1.00 5.00 N ATOM 0 H GLN A 123 1.293 -14.075 -9.816 1.00 0.91 H new ATOM 0 HA GLN A 123 -0.179 -14.732 -12.261 1.00 1.02 H new ATOM 0 HB2 GLN A 123 2.584 -14.488 -12.388 1.00 1.10 H new ATOM 0 HB3 GLN A 123 2.403 -16.182 -11.978 1.00 1.10 H new ATOM 0 HG2 GLN A 123 1.263 -14.737 -14.401 1.00 2.11 H new ATOM 0 HG3 GLN A 123 2.484 -15.994 -14.390 1.00 2.11 H new ATOM 0 HE21 GLN A 123 1.663 -18.214 -13.387 1.00 5.00 H new ATOM 0 HE22 GLN A 123 -0.009 -18.650 -13.759 1.00 5.00 H new ATOM 1942 N LYS A 124 -1.045 -16.762 -11.154 1.00 1.04 N ATOM 1943 CA LYS A 124 -1.584 -17.959 -10.489 1.00 1.05 C ATOM 1944 C LYS A 124 -1.140 -19.220 -11.253 1.00 1.25 C ATOM 1945 O LYS A 124 -1.466 -19.448 -12.417 1.00 1.68 O ATOM 1946 CB LYS A 124 -3.103 -17.837 -10.249 1.00 1.18 C ATOM 1947 CG LYS A 124 -3.963 -17.617 -11.501 1.00 1.53 C ATOM 1948 CD LYS A 124 -5.418 -17.317 -11.108 1.00 1.82 C ATOM 1949 CE LYS A 124 -6.239 -17.061 -12.376 1.00 2.83 C ATOM 1950 NZ LYS A 124 -7.627 -16.650 -12.068 1.00 3.33 N ATOM 0 H LYS A 124 -1.634 -16.402 -11.905 1.00 1.04 H new ATOM 0 HA LYS A 124 -1.166 -18.052 -9.486 1.00 1.05 H new ATOM 0 HB2 LYS A 124 -3.447 -18.743 -9.750 1.00 1.18 H new ATOM 0 HB3 LYS A 124 -3.278 -17.009 -9.562 1.00 1.18 H new ATOM 0 HG2 LYS A 124 -3.560 -16.790 -12.086 1.00 1.53 H new ATOM 0 HG3 LYS A 124 -3.926 -18.503 -12.135 1.00 1.53 H new ATOM 0 HD2 LYS A 124 -5.837 -18.155 -10.552 1.00 1.82 H new ATOM 0 HD3 LYS A 124 -5.458 -16.447 -10.452 1.00 1.82 H new ATOM 0 HE2 LYS A 124 -5.755 -16.286 -12.970 1.00 2.83 H new ATOM 0 HE3 LYS A 124 -6.256 -17.965 -12.985 1.00 2.83 H new ATOM 0 HZ1 LYS A 124 -8.151 -16.504 -12.955 1.00 3.33 H new ATOM 0 HZ2 LYS A 124 -8.093 -17.393 -11.509 1.00 3.33 H new ATOM 0 HZ3 LYS A 124 -7.614 -15.764 -11.524 1.00 3.33 H new ATOM 1964 N SER A 125 -0.263 -19.981 -10.605 1.00 1.17 N ATOM 1965 CA SER A 125 0.814 -20.746 -11.247 1.00 1.59 C ATOM 1966 C SER A 125 0.817 -22.245 -10.902 1.00 2.02 C ATOM 1967 O SER A 125 1.438 -23.035 -11.606 1.00 3.47 O ATOM 1968 CB SER A 125 2.157 -20.100 -10.867 1.00 2.07 C ATOM 1969 OG SER A 125 2.217 -18.755 -11.321 1.00 3.09 O ATOM 0 H SER A 125 -0.278 -20.089 -9.591 1.00 1.17 H new ATOM 0 HA SER A 125 0.646 -20.706 -12.323 1.00 1.59 H new ATOM 0 HB2 SER A 125 2.286 -20.129 -9.785 1.00 2.07 H new ATOM 0 HB3 SER A 125 2.977 -20.672 -11.302 1.00 2.07 H new ATOM 0 HG SER A 125 1.719 -18.179 -10.704 1.00 3.09 H new ATOM 1975 N GLN A 126 0.056 -22.665 -9.894 1.00 2.13 N ATOM 1976 CA GLN A 126 -0.618 -23.959 -9.947 1.00 2.03 C ATOM 1977 C GLN A 126 -2.114 -23.667 -9.909 1.00 2.39 C ATOM 1978 O GLN A 126 -2.661 -23.445 -8.831 1.00 3.25 O ATOM 1979 CB GLN A 126 -0.257 -24.868 -8.757 1.00 2.10 C ATOM 1980 CG GLN A 126 1.163 -25.437 -8.771 1.00 2.64 C ATOM 1981 CD GLN A 126 1.372 -26.368 -7.573 1.00 3.60 C ATOM 1982 OE1 GLN A 126 0.571 -27.241 -7.267 1.00 4.41 O ATOM 1983 NE2 GLN A 126 2.435 -26.187 -6.818 1.00 4.50 N ATOM 0 H GLN A 126 -0.108 -22.134 -9.039 1.00 2.13 H new ATOM 0 HA GLN A 126 -0.309 -24.487 -10.849 1.00 2.03 H new ATOM 0 HB2 GLN A 126 -0.394 -24.302 -7.835 1.00 2.10 H new ATOM 0 HB3 GLN A 126 -0.962 -25.698 -8.729 1.00 2.10 H new ATOM 0 HG2 GLN A 126 1.335 -25.982 -9.699 1.00 2.64 H new ATOM 0 HG3 GLN A 126 1.889 -24.624 -8.740 1.00 2.64 H new ATOM 0 HE21 GLN A 126 3.114 -25.464 -7.058 1.00 4.50 H new ATOM 0 HE22 GLN A 126 2.580 -26.770 -5.993 1.00 4.50 H new ATOM 1992 N TYR A 127 -2.789 -23.674 -11.060 1.00 1.84 N ATOM 1993 CA TYR A 127 -4.252 -23.729 -11.084 1.00 2.02 C ATOM 1994 C TYR A 127 -4.690 -25.156 -10.729 1.00 2.70 C ATOM 1995 O TYR A 127 -4.642 -26.056 -11.568 1.00 3.27 O ATOM 1996 CB TYR A 127 -4.797 -23.264 -12.441 1.00 2.21 C ATOM 1997 CG TYR A 127 -6.311 -23.362 -12.534 1.00 2.88 C ATOM 1998 CD1 TYR A 127 -7.120 -22.425 -11.863 1.00 3.99 C ATOM 1999 CD2 TYR A 127 -6.909 -24.430 -13.232 1.00 3.75 C ATOM 2000 CE1 TYR A 127 -8.524 -22.556 -11.882 1.00 5.51 C ATOM 2001 CE2 TYR A 127 -8.309 -24.562 -13.259 1.00 5.23 C ATOM 2002 CZ TYR A 127 -9.122 -23.630 -12.580 1.00 5.99 C ATOM 2003 OH TYR A 127 -10.473 -23.783 -12.586 1.00 7.68 O ATOM 0 H TYR A 127 -2.351 -23.643 -11.980 1.00 1.84 H new ATOM 0 HA TYR A 127 -4.668 -23.045 -10.345 1.00 2.02 H new ATOM 0 HB2 TYR A 127 -4.493 -22.232 -12.615 1.00 2.21 H new ATOM 0 HB3 TYR A 127 -4.349 -23.865 -13.232 1.00 2.21 H new ATOM 0 HD1 TYR A 127 -6.664 -21.603 -11.332 1.00 3.99 H new ATOM 0 HD2 TYR A 127 -6.290 -25.149 -13.748 1.00 3.75 H new ATOM 0 HE1 TYR A 127 -9.141 -21.837 -11.364 1.00 5.51 H new ATOM 0 HE2 TYR A 127 -8.763 -25.379 -13.801 1.00 5.23 H new ATOM 0 HH TYR A 127 -10.710 -24.573 -13.116 1.00 7.68 H new ATOM 2013 N ARG A 128 -5.068 -25.388 -9.468 1.00 3.08 N ATOM 2014 CA ARG A 128 -5.348 -26.744 -8.971 1.00 3.81 C ATOM 2015 C ARG A 128 -6.692 -27.302 -9.469 1.00 3.49 C ATOM 2016 O ARG A 128 -6.943 -28.495 -9.315 1.00 4.11 O ATOM 2017 CB ARG A 128 -5.267 -26.748 -7.433 1.00 5.10 C ATOM 2018 CG ARG A 128 -5.168 -28.137 -6.782 1.00 6.20 C ATOM 2019 CD ARG A 128 -4.025 -28.983 -7.356 1.00 6.44 C ATOM 2020 NE ARG A 128 -3.871 -30.240 -6.606 1.00 7.39 N ATOM 2021 CZ ARG A 128 -2.738 -30.767 -6.154 1.00 8.52 C ATOM 2022 NH1 ARG A 128 -1.570 -30.167 -6.294 1.00 9.08 N ATOM 2023 NH2 ARG A 128 -2.767 -31.935 -5.547 1.00 9.45 N ATOM 0 H ARG A 128 -5.188 -24.654 -8.770 1.00 3.08 H new ATOM 0 HA ARG A 128 -4.589 -27.413 -9.376 1.00 3.81 H new ATOM 0 HB2 ARG A 128 -4.400 -26.161 -7.130 1.00 5.10 H new ATOM 0 HB3 ARG A 128 -6.148 -26.242 -7.038 1.00 5.10 H new ATOM 0 HG2 ARG A 128 -5.023 -28.020 -5.708 1.00 6.20 H new ATOM 0 HG3 ARG A 128 -6.111 -28.666 -6.921 1.00 6.20 H new ATOM 0 HD2 ARG A 128 -4.222 -29.203 -8.405 1.00 6.44 H new ATOM 0 HD3 ARG A 128 -3.094 -28.417 -7.319 1.00 6.44 H new ATOM 0 HE ARG A 128 -4.725 -30.762 -6.412 1.00 7.39 H new ATOM 0 HH11 ARG A 128 -1.514 -29.264 -6.764 1.00 9.08 H new ATOM 0 HH12 ARG A 128 -0.724 -30.607 -5.932 1.00 9.08 H new ATOM 0 HH21 ARG A 128 -3.653 -32.426 -5.428 1.00 9.45 H new ATOM 0 HH22 ARG A 128 -1.903 -32.349 -5.196 1.00 9.45 H new ATOM 2037 N GLY A 129 -7.553 -26.448 -10.031 1.00 2.93 N ATOM 2038 CA GLY A 129 -8.961 -26.701 -10.329 1.00 3.58 C ATOM 2039 C GLY A 129 -9.818 -25.635 -9.631 1.00 3.67 C ATOM 2040 O GLY A 129 -9.316 -24.536 -9.386 1.00 3.84 O ATOM 0 H GLY A 129 -7.267 -25.508 -10.305 1.00 2.93 H new ATOM 0 HA2 GLY A 129 -9.129 -26.674 -11.406 1.00 3.58 H new ATOM 0 HA3 GLY A 129 -9.245 -27.696 -9.987 1.00 3.58 H new ATOM 2044 N PRO A 130 -11.090 -25.926 -9.311 1.00 4.19 N ATOM 2045 CA PRO A 130 -11.894 -25.038 -8.485 1.00 4.63 C ATOM 2046 C PRO A 130 -11.361 -25.025 -7.046 1.00 3.91 C ATOM 2047 O PRO A 130 -10.773 -25.994 -6.574 1.00 3.96 O ATOM 2048 CB PRO A 130 -13.323 -25.586 -8.576 1.00 5.60 C ATOM 2049 CG PRO A 130 -13.107 -27.084 -8.793 1.00 5.51 C ATOM 2050 CD PRO A 130 -11.829 -27.141 -9.629 1.00 4.93 C ATOM 0 HA PRO A 130 -11.859 -24.002 -8.821 1.00 4.63 H new ATOM 0 HB2 PRO A 130 -13.889 -25.388 -7.666 1.00 5.60 H new ATOM 0 HB3 PRO A 130 -13.876 -25.135 -9.400 1.00 5.60 H new ATOM 0 HG2 PRO A 130 -12.993 -27.614 -7.848 1.00 5.51 H new ATOM 0 HG3 PRO A 130 -13.949 -27.540 -9.314 1.00 5.51 H new ATOM 0 HD2 PRO A 130 -11.244 -28.029 -9.388 1.00 4.93 H new ATOM 0 HD3 PRO A 130 -12.060 -27.191 -10.693 1.00 4.93 H new ATOM 2058 N GLY A 131 -11.604 -23.915 -6.341 1.00 4.05 N ATOM 2059 CA GLY A 131 -11.349 -23.783 -4.907 1.00 3.95 C ATOM 2060 C GLY A 131 -10.020 -23.107 -4.573 1.00 3.68 C ATOM 2061 O GLY A 131 -10.032 -22.129 -3.831 1.00 4.31 O ATOM 0 H GLY A 131 -11.990 -23.069 -6.761 1.00 4.05 H new ATOM 0 HA2 GLY A 131 -12.160 -23.211 -4.455 1.00 3.95 H new ATOM 0 HA3 GLY A 131 -11.366 -24.774 -4.452 1.00 3.95 H new ATOM 2065 N GLU A 132 -8.894 -23.610 -5.085 1.00 3.17 N ATOM 2066 CA GLU A 132 -7.554 -23.198 -4.649 1.00 3.38 C ATOM 2067 C GLU A 132 -6.534 -23.147 -5.795 1.00 2.93 C ATOM 2068 O GLU A 132 -6.689 -23.784 -6.838 1.00 3.19 O ATOM 2069 CB GLU A 132 -7.040 -24.139 -3.532 1.00 4.14 C ATOM 2070 CG GLU A 132 -7.713 -23.962 -2.159 1.00 5.25 C ATOM 2071 CD GLU A 132 -7.451 -22.583 -1.545 1.00 6.92 C ATOM 2072 OE1 GLU A 132 -6.584 -21.821 -2.025 1.00 7.50 O ATOM 2073 OE2 GLU A 132 -8.142 -22.175 -0.584 1.00 8.13 O ATOM 0 H GLU A 132 -8.884 -24.319 -5.818 1.00 3.17 H new ATOM 0 HA GLU A 132 -7.653 -22.182 -4.266 1.00 3.38 H new ATOM 0 HB2 GLU A 132 -7.180 -25.170 -3.856 1.00 4.14 H new ATOM 0 HB3 GLU A 132 -5.967 -23.984 -3.415 1.00 4.14 H new ATOM 0 HG2 GLU A 132 -8.788 -24.110 -2.264 1.00 5.25 H new ATOM 0 HG3 GLU A 132 -7.350 -24.733 -1.479 1.00 5.25 H new ATOM 2080 N TYR A 133 -5.451 -22.397 -5.572 1.00 2.39 N ATOM 2081 CA TYR A 133 -4.328 -22.239 -6.500 1.00 1.88 C ATOM 2082 C TYR A 133 -3.073 -21.672 -5.813 1.00 1.77 C ATOM 2083 O TYR A 133 -3.153 -20.923 -4.839 1.00 2.03 O ATOM 2084 CB TYR A 133 -4.738 -21.403 -7.729 1.00 1.74 C ATOM 2085 CG TYR A 133 -5.624 -20.201 -7.455 1.00 1.95 C ATOM 2086 CD1 TYR A 133 -5.090 -19.026 -6.888 1.00 3.15 C ATOM 2087 CD2 TYR A 133 -6.996 -20.271 -7.760 1.00 2.34 C ATOM 2088 CE1 TYR A 133 -5.930 -17.929 -6.610 1.00 3.50 C ATOM 2089 CE2 TYR A 133 -7.836 -19.176 -7.495 1.00 2.75 C ATOM 2090 CZ TYR A 133 -7.308 -18.005 -6.911 1.00 2.89 C ATOM 2091 OH TYR A 133 -8.152 -16.982 -6.618 1.00 3.53 O ATOM 0 H TYR A 133 -5.328 -21.865 -4.711 1.00 2.39 H new ATOM 0 HA TYR A 133 -4.059 -23.235 -6.851 1.00 1.88 H new ATOM 0 HB2 TYR A 133 -3.832 -21.055 -8.225 1.00 1.74 H new ATOM 0 HB3 TYR A 133 -5.255 -22.057 -8.432 1.00 1.74 H new ATOM 0 HD1 TYR A 133 -4.035 -18.966 -6.666 1.00 3.15 H new ATOM 0 HD2 TYR A 133 -7.405 -21.169 -8.199 1.00 2.34 H new ATOM 0 HE1 TYR A 133 -5.521 -17.032 -6.168 1.00 3.50 H new ATOM 0 HE2 TYR A 133 -8.887 -19.231 -7.739 1.00 2.75 H new ATOM 0 HH TYR A 133 -7.824 -16.503 -5.829 1.00 3.53 H new ATOM 2101 N LEU A 134 -1.894 -22.015 -6.344 1.00 1.56 N ATOM 2102 CA LEU A 134 -0.597 -21.533 -5.848 1.00 1.86 C ATOM 2103 C LEU A 134 -0.203 -20.328 -6.709 1.00 1.92 C ATOM 2104 O LEU A 134 -0.317 -20.402 -7.931 1.00 1.93 O ATOM 2105 CB LEU A 134 0.435 -22.675 -5.938 1.00 2.23 C ATOM 2106 CG LEU A 134 1.582 -22.678 -4.912 1.00 2.42 C ATOM 2107 CD1 LEU A 134 2.363 -21.363 -4.858 1.00 3.01 C ATOM 2108 CD2 LEU A 134 1.054 -23.073 -3.529 1.00 3.19 C ATOM 0 H LEU A 134 -1.811 -22.645 -7.142 1.00 1.56 H new ATOM 0 HA LEU A 134 -0.645 -21.225 -4.803 1.00 1.86 H new ATOM 0 HB2 LEU A 134 -0.100 -23.620 -5.847 1.00 2.23 H new ATOM 0 HB3 LEU A 134 0.875 -22.653 -6.935 1.00 2.23 H new ATOM 0 HG LEU A 134 2.300 -23.426 -5.248 1.00 2.42 H new ATOM 0 HD11 LEU A 134 3.155 -21.440 -4.113 1.00 3.01 H new ATOM 0 HD12 LEU A 134 2.802 -21.160 -5.835 1.00 3.01 H new ATOM 0 HD13 LEU A 134 1.689 -20.550 -4.588 1.00 3.01 H new ATOM 0 HD21 LEU A 134 1.875 -23.071 -2.812 1.00 3.19 H new ATOM 0 HD22 LEU A 134 0.294 -22.359 -3.212 1.00 3.19 H new ATOM 0 HD23 LEU A 134 0.617 -24.070 -3.578 1.00 3.19 H new ATOM 2120 N VAL A 135 0.168 -19.214 -6.088 1.00 1.98 N ATOM 2121 CA VAL A 135 0.130 -17.884 -6.713 1.00 1.73 C ATOM 2122 C VAL A 135 1.332 -17.032 -6.300 1.00 1.80 C ATOM 2123 O VAL A 135 1.817 -17.139 -5.177 1.00 1.89 O ATOM 2124 CB VAL A 135 -1.222 -17.190 -6.408 1.00 1.84 C ATOM 2125 CG1 VAL A 135 -1.490 -17.015 -4.900 1.00 2.61 C ATOM 2126 CG2 VAL A 135 -1.405 -15.843 -7.122 1.00 2.07 C ATOM 0 H VAL A 135 0.508 -19.202 -5.126 1.00 1.98 H new ATOM 0 HA VAL A 135 0.204 -18.005 -7.794 1.00 1.73 H new ATOM 0 HB VAL A 135 -1.961 -17.883 -6.812 1.00 1.84 H new ATOM 0 HG11 VAL A 135 -2.452 -16.523 -4.756 1.00 2.61 H new ATOM 0 HG12 VAL A 135 -1.506 -17.992 -4.418 1.00 2.61 H new ATOM 0 HG13 VAL A 135 -0.701 -16.406 -4.459 1.00 2.61 H new ATOM 0 HG21 VAL A 135 -2.374 -15.420 -6.858 1.00 2.07 H new ATOM 0 HG22 VAL A 135 -0.615 -15.158 -6.815 1.00 2.07 H new ATOM 0 HG23 VAL A 135 -1.356 -15.993 -8.200 1.00 2.07 H new ATOM 2136 N ASP A 136 1.790 -16.212 -7.243 1.00 1.16 N ATOM 2137 CA ASP A 136 2.811 -15.170 -7.110 1.00 1.00 C ATOM 2138 C ASP A 136 2.156 -13.774 -7.063 1.00 1.03 C ATOM 2139 O ASP A 136 1.203 -13.519 -7.797 1.00 1.36 O ATOM 2140 CB ASP A 136 3.771 -15.299 -8.314 1.00 1.38 C ATOM 2141 CG ASP A 136 4.345 -13.958 -8.780 1.00 3.20 C ATOM 2142 OD1 ASP A 136 5.208 -13.415 -8.057 1.00 4.44 O ATOM 2143 OD2 ASP A 136 3.864 -13.468 -9.828 1.00 4.27 O ATOM 0 H ASP A 136 1.430 -16.261 -8.196 1.00 1.16 H new ATOM 0 HA ASP A 136 3.366 -15.292 -6.180 1.00 1.00 H new ATOM 0 HB2 ASP A 136 4.592 -15.964 -8.045 1.00 1.38 H new ATOM 0 HB3 ASP A 136 3.241 -15.767 -9.144 1.00 1.38 H new ATOM 2148 N HIS A 137 2.697 -12.860 -6.248 1.00 0.71 N ATOM 2149 CA HIS A 137 2.553 -11.418 -6.459 1.00 0.68 C ATOM 2150 C HIS A 137 3.804 -10.632 -6.028 1.00 1.06 C ATOM 2151 O HIS A 137 4.559 -11.066 -5.151 1.00 1.22 O ATOM 2152 CB HIS A 137 1.299 -10.872 -5.750 1.00 0.90 C ATOM 2153 CG HIS A 137 1.462 -10.619 -4.266 1.00 1.49 C ATOM 2154 ND1 HIS A 137 1.731 -9.408 -3.663 1.00 2.68 N ATOM 2155 CD2 HIS A 137 1.372 -11.546 -3.267 1.00 1.84 C ATOM 2156 CE1 HIS A 137 1.792 -9.611 -2.336 1.00 3.13 C ATOM 2157 NE2 HIS A 137 1.567 -10.899 -2.037 1.00 2.57 N ATOM 0 H HIS A 137 3.247 -13.102 -5.424 1.00 0.71 H new ATOM 0 HA HIS A 137 2.435 -11.273 -7.533 1.00 0.68 H new ATOM 0 HB2 HIS A 137 1.004 -9.940 -6.232 1.00 0.90 H new ATOM 0 HB3 HIS A 137 0.481 -11.578 -5.895 1.00 0.90 H new ATOM 0 HD1 HIS A 137 1.861 -8.516 -4.140 1.00 2.68 H new ATOM 0 HD2 HIS A 137 1.182 -12.601 -3.401 1.00 1.84 H new ATOM 0 HE1 HIS A 137 1.995 -8.840 -1.608 1.00 3.13 H new ATOM 2166 N THR A 138 3.972 -9.410 -6.553 1.00 0.66 N ATOM 2167 CA THR A 138 4.968 -8.444 -6.060 1.00 0.70 C ATOM 2168 C THR A 138 4.590 -7.976 -4.654 1.00 1.07 C ATOM 2169 O THR A 138 3.661 -7.191 -4.479 1.00 1.92 O ATOM 2170 CB THR A 138 5.107 -7.236 -6.998 1.00 0.84 C ATOM 2171 OG1 THR A 138 4.915 -7.608 -8.333 1.00 1.68 O ATOM 2172 CG2 THR A 138 6.485 -6.597 -6.891 1.00 1.00 C ATOM 0 H THR A 138 3.419 -9.061 -7.336 1.00 0.66 H new ATOM 0 HA THR A 138 5.933 -8.950 -6.030 1.00 0.70 H new ATOM 0 HB THR A 138 4.343 -6.522 -6.690 1.00 0.84 H new ATOM 0 HG1 THR A 138 5.777 -7.613 -8.799 1.00 1.68 H new ATOM 0 HG21 THR A 138 6.545 -5.746 -7.569 1.00 1.00 H new ATOM 0 HG22 THR A 138 6.651 -6.258 -5.868 1.00 1.00 H new ATOM 0 HG23 THR A 138 7.247 -7.329 -7.159 1.00 1.00 H new ATOM 2180 N ALA A 139 5.334 -8.416 -3.640 1.00 0.80 N ATOM 2181 CA ALA A 139 5.171 -7.993 -2.241 1.00 0.88 C ATOM 2182 C ALA A 139 5.773 -6.595 -1.936 1.00 0.90 C ATOM 2183 O ALA A 139 6.411 -6.398 -0.902 1.00 1.26 O ATOM 2184 CB ALA A 139 5.717 -9.107 -1.336 1.00 1.17 C ATOM 0 H ALA A 139 6.086 -9.093 -3.767 1.00 0.80 H new ATOM 0 HA ALA A 139 4.110 -7.853 -2.035 1.00 0.88 H new ATOM 0 HB1 ALA A 139 5.606 -8.815 -0.292 1.00 1.17 H new ATOM 0 HB2 ALA A 139 5.161 -10.027 -1.516 1.00 1.17 H new ATOM 0 HB3 ALA A 139 6.772 -9.271 -1.557 1.00 1.17 H new ATOM 2190 N THR A 140 5.596 -5.629 -2.846 1.00 0.78 N ATOM 2191 CA THR A 140 6.161 -4.273 -2.745 1.00 0.64 C ATOM 2192 C THR A 140 5.120 -3.294 -2.197 1.00 0.72 C ATOM 2193 O THR A 140 3.909 -3.493 -2.325 1.00 1.03 O ATOM 2194 CB THR A 140 6.771 -3.860 -4.097 1.00 0.68 C ATOM 2195 OG1 THR A 140 7.856 -4.729 -4.321 1.00 1.12 O ATOM 2196 CG2 THR A 140 7.377 -2.459 -4.226 1.00 0.75 C ATOM 0 H THR A 140 5.044 -5.769 -3.692 1.00 0.78 H new ATOM 0 HA THR A 140 6.979 -4.257 -2.024 1.00 0.64 H new ATOM 0 HB THR A 140 5.930 -3.892 -4.790 1.00 0.68 H new ATOM 0 HG1 THR A 140 8.281 -4.508 -5.176 1.00 1.12 H new ATOM 0 HG21 THR A 140 7.764 -2.321 -5.236 1.00 0.75 H new ATOM 0 HG22 THR A 140 6.610 -1.711 -4.026 1.00 0.75 H new ATOM 0 HG23 THR A 140 8.189 -2.346 -3.508 1.00 0.75 H new ATOM 2204 N THR A 141 5.626 -2.240 -1.557 1.00 0.53 N ATOM 2205 CA THR A 141 4.904 -1.116 -0.961 1.00 0.52 C ATOM 2206 C THR A 141 5.426 0.178 -1.591 1.00 0.82 C ATOM 2207 O THR A 141 6.620 0.298 -1.872 1.00 0.88 O ATOM 2208 CB THR A 141 5.115 -1.063 0.564 1.00 0.64 C ATOM 2209 OG1 THR A 141 5.327 -2.331 1.148 1.00 1.11 O ATOM 2210 CG2 THR A 141 3.902 -0.451 1.248 1.00 1.17 C ATOM 0 H THR A 141 6.634 -2.142 -1.432 1.00 0.53 H new ATOM 0 HA THR A 141 3.837 -1.238 -1.149 1.00 0.52 H new ATOM 0 HB THR A 141 6.010 -0.458 0.709 1.00 0.64 H new ATOM 0 HG1 THR A 141 4.502 -2.857 1.096 1.00 1.11 H new ATOM 0 HG21 THR A 141 4.068 -0.421 2.325 1.00 1.17 H new ATOM 0 HG22 THR A 141 3.747 0.562 0.877 1.00 1.17 H new ATOM 0 HG23 THR A 141 3.020 -1.055 1.033 1.00 1.17 H new ATOM 2218 N PHE A 142 4.538 1.142 -1.824 1.00 0.51 N ATOM 2219 CA PHE A 142 4.795 2.316 -2.663 1.00 0.52 C ATOM 2220 C PHE A 142 4.275 3.597 -1.998 1.00 1.77 C ATOM 2221 O PHE A 142 3.132 3.632 -1.542 1.00 2.09 O ATOM 2222 CB PHE A 142 4.079 2.116 -4.008 1.00 0.52 C ATOM 2223 CG PHE A 142 4.488 0.879 -4.788 1.00 0.69 C ATOM 2224 CD1 PHE A 142 3.881 -0.361 -4.512 1.00 1.67 C ATOM 2225 CD2 PHE A 142 5.426 0.972 -5.835 1.00 1.95 C ATOM 2226 CE1 PHE A 142 4.220 -1.497 -5.265 1.00 1.65 C ATOM 2227 CE2 PHE A 142 5.742 -0.156 -6.608 1.00 1.81 C ATOM 2228 CZ PHE A 142 5.142 -1.393 -6.322 1.00 0.79 C ATOM 0 H PHE A 142 3.598 1.131 -1.427 1.00 0.51 H new ATOM 0 HA PHE A 142 5.870 2.421 -2.806 1.00 0.52 H new ATOM 0 HB2 PHE A 142 3.005 2.071 -3.825 1.00 0.52 H new ATOM 0 HB3 PHE A 142 4.260 2.993 -4.630 1.00 0.52 H new ATOM 0 HD1 PHE A 142 3.152 -0.439 -3.719 1.00 1.67 H new ATOM 0 HD2 PHE A 142 5.905 1.917 -6.044 1.00 1.95 H new ATOM 0 HE1 PHE A 142 3.772 -2.452 -5.032 1.00 1.65 H new ATOM 0 HE2 PHE A 142 6.446 -0.073 -7.422 1.00 1.81 H new ATOM 0 HZ PHE A 142 5.388 -2.263 -6.913 1.00 0.79 H new ATOM 2238 N VAL A 143 5.086 4.663 -1.979 1.00 0.55 N ATOM 2239 CA VAL A 143 4.690 5.969 -1.415 1.00 0.63 C ATOM 2240 C VAL A 143 4.442 6.985 -2.530 1.00 0.89 C ATOM 2241 O VAL A 143 5.270 7.145 -3.426 1.00 1.09 O ATOM 2242 CB VAL A 143 5.709 6.522 -0.400 1.00 0.76 C ATOM 2243 CG1 VAL A 143 5.130 7.766 0.299 1.00 0.95 C ATOM 2244 CG2 VAL A 143 6.029 5.471 0.672 1.00 1.00 C ATOM 0 H VAL A 143 6.035 4.649 -2.353 1.00 0.55 H new ATOM 0 HA VAL A 143 3.762 5.801 -0.868 1.00 0.63 H new ATOM 0 HB VAL A 143 6.619 6.781 -0.942 1.00 0.76 H new ATOM 0 HG11 VAL A 143 5.856 8.152 1.015 1.00 0.95 H new ATOM 0 HG12 VAL A 143 4.911 8.532 -0.445 1.00 0.95 H new ATOM 0 HG13 VAL A 143 4.213 7.496 0.822 1.00 0.95 H new ATOM 0 HG21 VAL A 143 6.750 5.881 1.379 1.00 1.00 H new ATOM 0 HG22 VAL A 143 5.115 5.201 1.201 1.00 1.00 H new ATOM 0 HG23 VAL A 143 6.449 4.584 0.198 1.00 1.00 H new ATOM 2254 N VAL A 144 3.296 7.663 -2.451 1.00 0.64 N ATOM 2255 CA VAL A 144 2.787 8.628 -3.441 1.00 0.72 C ATOM 2256 C VAL A 144 2.291 9.892 -2.736 1.00 1.10 C ATOM 2257 O VAL A 144 1.533 9.794 -1.772 1.00 1.16 O ATOM 2258 CB VAL A 144 1.623 8.038 -4.281 1.00 0.78 C ATOM 2259 CG1 VAL A 144 1.005 9.079 -5.238 1.00 1.53 C ATOM 2260 CG2 VAL A 144 2.085 6.841 -5.125 1.00 1.76 C ATOM 0 H VAL A 144 2.663 7.553 -1.659 1.00 0.64 H new ATOM 0 HA VAL A 144 3.613 8.865 -4.112 1.00 0.72 H new ATOM 0 HB VAL A 144 0.873 7.721 -3.556 1.00 0.78 H new ATOM 0 HG11 VAL A 144 0.195 8.618 -5.803 1.00 1.53 H new ATOM 0 HG12 VAL A 144 0.613 9.917 -4.661 1.00 1.53 H new ATOM 0 HG13 VAL A 144 1.769 9.439 -5.927 1.00 1.53 H new ATOM 0 HG21 VAL A 144 1.243 6.454 -5.699 1.00 1.76 H new ATOM 0 HG22 VAL A 144 2.874 7.159 -5.807 1.00 1.76 H new ATOM 0 HG23 VAL A 144 2.466 6.059 -4.469 1.00 1.76 H new ATOM 2270 N LYS A 145 2.689 11.062 -3.243 1.00 0.97 N ATOM 2271 CA LYS A 145 2.161 12.382 -2.861 1.00 1.14 C ATOM 2272 C LYS A 145 2.094 13.298 -4.100 1.00 1.21 C ATOM 2273 O LYS A 145 2.891 13.109 -5.017 1.00 1.34 O ATOM 2274 CB LYS A 145 3.083 12.967 -1.779 1.00 1.29 C ATOM 2275 CG LYS A 145 2.372 13.995 -0.886 1.00 1.79 C ATOM 2276 CD LYS A 145 3.361 14.726 0.022 1.00 1.59 C ATOM 2277 CE LYS A 145 4.165 15.736 -0.795 1.00 1.84 C ATOM 2278 NZ LYS A 145 5.315 16.266 -0.043 1.00 1.86 N ATOM 0 H LYS A 145 3.414 11.122 -3.957 1.00 0.97 H new ATOM 0 HA LYS A 145 1.149 12.296 -2.464 1.00 1.14 H new ATOM 0 HB2 LYS A 145 3.467 12.157 -1.159 1.00 1.29 H new ATOM 0 HB3 LYS A 145 3.942 13.439 -2.256 1.00 1.29 H new ATOM 0 HG2 LYS A 145 1.846 14.718 -1.509 1.00 1.79 H new ATOM 0 HG3 LYS A 145 1.621 13.492 -0.277 1.00 1.79 H new ATOM 0 HD2 LYS A 145 2.825 15.236 0.822 1.00 1.59 H new ATOM 0 HD3 LYS A 145 4.033 14.010 0.494 1.00 1.59 H new ATOM 0 HE2 LYS A 145 4.518 15.262 -1.711 1.00 1.84 H new ATOM 0 HE3 LYS A 145 3.516 16.560 -1.093 1.00 1.84 H new ATOM 0 HZ1 LYS A 145 5.793 16.997 -0.608 1.00 1.86 H new ATOM 0 HZ2 LYS A 145 4.984 16.682 0.851 1.00 1.86 H new ATOM 0 HZ3 LYS A 145 5.982 15.495 0.160 1.00 1.86 H new ATOM 2292 N GLU A 146 1.173 14.265 -4.172 1.00 1.13 N ATOM 2293 CA GLU A 146 1.115 15.266 -5.264 1.00 1.16 C ATOM 2294 C GLU A 146 0.907 14.604 -6.650 1.00 1.52 C ATOM 2295 O GLU A 146 1.392 15.093 -7.670 1.00 1.88 O ATOM 2296 CB GLU A 146 2.373 16.165 -5.260 1.00 1.10 C ATOM 2297 CG GLU A 146 2.672 16.901 -3.944 1.00 1.51 C ATOM 2298 CD GLU A 146 4.120 17.384 -3.954 1.00 1.95 C ATOM 2299 OE1 GLU A 146 4.404 18.417 -4.597 1.00 2.34 O ATOM 2300 OE2 GLU A 146 4.996 16.639 -3.458 1.00 2.60 O ATOM 0 H GLU A 146 0.439 14.383 -3.474 1.00 1.13 H new ATOM 0 HA GLU A 146 0.246 15.896 -5.076 1.00 1.16 H new ATOM 0 HB2 GLU A 146 3.236 15.549 -5.513 1.00 1.10 H new ATOM 0 HB3 GLU A 146 2.268 16.907 -6.052 1.00 1.10 H new ATOM 0 HG2 GLU A 146 1.995 17.747 -3.825 1.00 1.51 H new ATOM 0 HG3 GLU A 146 2.504 16.237 -3.096 1.00 1.51 H new ATOM 2307 N GLY A 147 0.256 13.432 -6.683 1.00 1.26 N ATOM 2308 CA GLY A 147 0.008 12.656 -7.905 1.00 1.32 C ATOM 2309 C GLY A 147 1.216 11.851 -8.416 1.00 1.12 C ATOM 2310 O GLY A 147 1.144 11.295 -9.512 1.00 1.19 O ATOM 0 H GLY A 147 -0.120 12.989 -5.844 1.00 1.26 H new ATOM 0 HA2 GLY A 147 -0.817 11.968 -7.720 1.00 1.32 H new ATOM 0 HA3 GLY A 147 -0.315 13.338 -8.692 1.00 1.32 H new ATOM 2314 N ARG A 148 2.329 11.773 -7.666 1.00 0.88 N ATOM 2315 CA ARG A 148 3.566 11.094 -8.092 1.00 0.73 C ATOM 2316 C ARG A 148 4.224 10.241 -7.001 1.00 1.05 C ATOM 2317 O ARG A 148 4.191 10.540 -5.811 1.00 1.27 O ATOM 2318 CB ARG A 148 4.586 12.073 -8.703 1.00 0.84 C ATOM 2319 CG ARG A 148 4.628 13.439 -8.020 1.00 1.23 C ATOM 2320 CD ARG A 148 5.870 14.231 -8.435 1.00 1.30 C ATOM 2321 NE ARG A 148 5.667 15.679 -8.252 1.00 1.66 N ATOM 2322 CZ ARG A 148 5.612 16.335 -7.099 1.00 2.30 C ATOM 2323 NH1 ARG A 148 5.923 15.771 -5.951 1.00 3.43 N ATOM 2324 NH2 ARG A 148 5.215 17.583 -7.086 1.00 2.68 N ATOM 0 H ARG A 148 2.396 12.185 -6.735 1.00 0.88 H new ATOM 0 HA ARG A 148 3.242 10.400 -8.868 1.00 0.73 H new ATOM 0 HB2 ARG A 148 5.578 11.624 -8.654 1.00 0.84 H new ATOM 0 HB3 ARG A 148 4.351 12.214 -9.758 1.00 0.84 H new ATOM 0 HG2 ARG A 148 3.732 14.004 -8.276 1.00 1.23 H new ATOM 0 HG3 ARG A 148 4.623 13.307 -6.938 1.00 1.23 H new ATOM 0 HD2 ARG A 148 6.726 13.904 -7.845 1.00 1.30 H new ATOM 0 HD3 ARG A 148 6.104 14.023 -9.479 1.00 1.30 H new ATOM 0 HE ARG A 148 5.557 16.236 -9.100 1.00 1.66 H new ATOM 0 HH11 ARG A 148 6.219 14.795 -5.926 1.00 3.43 H new ATOM 0 HH12 ARG A 148 5.868 16.310 -5.087 1.00 3.43 H new ATOM 0 HH21 ARG A 148 4.951 18.043 -7.957 1.00 2.68 H new ATOM 0 HH22 ARG A 148 5.170 18.095 -6.205 1.00 2.68 H new ATOM 2338 N LEU A 149 4.836 9.149 -7.452 1.00 0.54 N ATOM 2339 CA LEU A 149 5.441 8.085 -6.663 1.00 0.55 C ATOM 2340 C LEU A 149 6.861 8.509 -6.276 1.00 0.87 C ATOM 2341 O LEU A 149 7.678 8.781 -7.147 1.00 1.16 O ATOM 2342 CB LEU A 149 5.375 6.792 -7.510 1.00 0.74 C ATOM 2343 CG LEU A 149 5.208 5.490 -6.707 1.00 1.09 C ATOM 2344 CD1 LEU A 149 4.824 4.349 -7.658 1.00 2.06 C ATOM 2345 CD2 LEU A 149 6.466 5.108 -5.921 1.00 1.88 C ATOM 0 H LEU A 149 4.927 8.974 -8.453 1.00 0.54 H new ATOM 0 HA LEU A 149 4.916 7.893 -5.727 1.00 0.55 H new ATOM 0 HB2 LEU A 149 4.544 6.877 -8.210 1.00 0.74 H new ATOM 0 HB3 LEU A 149 6.286 6.719 -8.104 1.00 0.74 H new ATOM 0 HG LEU A 149 4.418 5.661 -5.976 1.00 1.09 H new ATOM 0 HD11 LEU A 149 4.706 3.426 -7.090 1.00 2.06 H new ATOM 0 HD12 LEU A 149 3.886 4.591 -8.157 1.00 2.06 H new ATOM 0 HD13 LEU A 149 5.608 4.218 -8.404 1.00 2.06 H new ATOM 0 HD21 LEU A 149 6.287 4.182 -5.375 1.00 1.88 H new ATOM 0 HD22 LEU A 149 7.298 4.967 -6.611 1.00 1.88 H new ATOM 0 HD23 LEU A 149 6.710 5.903 -5.216 1.00 1.88 H new ATOM 2357 N VAL A 150 7.132 8.594 -4.974 1.00 0.54 N ATOM 2358 CA VAL A 150 8.345 9.214 -4.390 1.00 0.61 C ATOM 2359 C VAL A 150 9.284 8.225 -3.677 1.00 0.99 C ATOM 2360 O VAL A 150 10.439 8.565 -3.405 1.00 1.13 O ATOM 2361 CB VAL A 150 7.953 10.351 -3.408 1.00 0.69 C ATOM 2362 CG1 VAL A 150 7.400 11.554 -4.183 1.00 1.44 C ATOM 2363 CG2 VAL A 150 6.912 9.910 -2.361 1.00 1.36 C ATOM 0 H VAL A 150 6.499 8.224 -4.264 1.00 0.54 H new ATOM 0 HA VAL A 150 8.902 9.611 -5.238 1.00 0.61 H new ATOM 0 HB VAL A 150 8.864 10.623 -2.875 1.00 0.69 H new ATOM 0 HG11 VAL A 150 7.129 12.344 -3.483 1.00 1.44 H new ATOM 0 HG12 VAL A 150 8.160 11.924 -4.871 1.00 1.44 H new ATOM 0 HG13 VAL A 150 6.518 11.250 -4.746 1.00 1.44 H new ATOM 0 HG21 VAL A 150 6.679 10.748 -1.704 1.00 1.36 H new ATOM 0 HG22 VAL A 150 6.004 9.582 -2.867 1.00 1.36 H new ATOM 0 HG23 VAL A 150 7.316 9.088 -1.771 1.00 1.36 H new ATOM 2373 N LEU A 151 8.817 6.999 -3.385 1.00 0.56 N ATOM 2374 CA LEU A 151 9.554 6.016 -2.580 1.00 0.59 C ATOM 2375 C LEU A 151 9.005 4.583 -2.706 1.00 1.07 C ATOM 2376 O LEU A 151 7.788 4.382 -2.731 1.00 1.26 O ATOM 2377 CB LEU A 151 9.616 6.512 -1.109 1.00 0.63 C ATOM 2378 CG LEU A 151 11.069 6.767 -0.674 1.00 0.79 C ATOM 2379 CD1 LEU A 151 11.221 7.895 0.339 1.00 0.93 C ATOM 2380 CD2 LEU A 151 11.694 5.493 -0.120 1.00 0.84 C ATOM 0 H LEU A 151 7.909 6.662 -3.705 1.00 0.56 H new ATOM 0 HA LEU A 151 10.568 5.944 -2.973 1.00 0.59 H new ATOM 0 HB2 LEU A 151 9.036 7.429 -1.006 1.00 0.63 H new ATOM 0 HB3 LEU A 151 9.161 5.771 -0.452 1.00 0.63 H new ATOM 0 HG LEU A 151 11.594 7.083 -1.575 1.00 0.79 H new ATOM 0 HD11 LEU A 151 12.274 8.014 0.596 1.00 0.93 H new ATOM 0 HD12 LEU A 151 10.846 8.823 -0.091 1.00 0.93 H new ATOM 0 HD13 LEU A 151 10.653 7.656 1.238 1.00 0.93 H new ATOM 0 HD21 LEU A 151 12.722 5.694 0.182 1.00 0.84 H new ATOM 0 HD22 LEU A 151 11.122 5.153 0.743 1.00 0.84 H new ATOM 0 HD23 LEU A 151 11.686 4.720 -0.888 1.00 0.84 H new ATOM 2392 N LEU A 152 9.922 3.609 -2.791 1.00 0.55 N ATOM 2393 CA LEU A 152 9.650 2.171 -2.943 1.00 0.54 C ATOM 2394 C LEU A 152 10.185 1.368 -1.750 1.00 1.07 C ATOM 2395 O LEU A 152 11.269 1.652 -1.233 1.00 1.14 O ATOM 2396 CB LEU A 152 10.321 1.608 -4.217 1.00 0.59 C ATOM 2397 CG LEU A 152 10.091 2.384 -5.523 1.00 0.72 C ATOM 2398 CD1 LEU A 152 10.989 1.824 -6.636 1.00 0.89 C ATOM 2399 CD2 LEU A 152 8.626 2.289 -5.955 1.00 0.90 C ATOM 0 H LEU A 152 10.921 3.811 -2.754 1.00 0.55 H new ATOM 0 HA LEU A 152 8.567 2.070 -3.007 1.00 0.54 H new ATOM 0 HB2 LEU A 152 11.395 1.553 -4.039 1.00 0.59 H new ATOM 0 HB3 LEU A 152 9.970 0.587 -4.363 1.00 0.59 H new ATOM 0 HG LEU A 152 10.341 3.430 -5.347 1.00 0.72 H new ATOM 0 HD11 LEU A 152 10.818 2.381 -7.557 1.00 0.89 H new ATOM 0 HD12 LEU A 152 12.034 1.920 -6.343 1.00 0.89 H new ATOM 0 HD13 LEU A 152 10.753 0.772 -6.799 1.00 0.89 H new ATOM 0 HD21 LEU A 152 8.483 2.845 -6.882 1.00 0.90 H new ATOM 0 HD22 LEU A 152 8.361 1.244 -6.114 1.00 0.90 H new ATOM 0 HD23 LEU A 152 7.989 2.711 -5.177 1.00 0.90 H new ATOM 2411 N TYR A 153 9.460 0.313 -1.393 1.00 0.69 N ATOM 2412 CA TYR A 153 9.736 -0.580 -0.264 1.00 0.72 C ATOM 2413 C TYR A 153 9.377 -2.048 -0.556 1.00 1.24 C ATOM 2414 O TYR A 153 8.401 -2.355 -1.226 1.00 1.57 O ATOM 2415 CB TYR A 153 8.901 -0.115 0.938 1.00 0.74 C ATOM 2416 CG TYR A 153 9.558 0.912 1.828 1.00 0.87 C ATOM 2417 CD1 TYR A 153 10.482 0.492 2.802 1.00 2.30 C ATOM 2418 CD2 TYR A 153 9.192 2.266 1.734 1.00 1.88 C ATOM 2419 CE1 TYR A 153 11.035 1.423 3.700 1.00 2.45 C ATOM 2420 CE2 TYR A 153 9.741 3.201 2.628 1.00 1.94 C ATOM 2421 CZ TYR A 153 10.655 2.781 3.620 1.00 1.32 C ATOM 2422 OH TYR A 153 11.157 3.673 4.514 1.00 1.71 O ATOM 0 H TYR A 153 8.622 0.041 -1.906 1.00 0.69 H new ATOM 0 HA TYR A 153 10.807 -0.534 -0.067 1.00 0.72 H new ATOM 0 HB2 TYR A 153 7.962 0.298 0.568 1.00 0.74 H new ATOM 0 HB3 TYR A 153 8.650 -0.987 1.543 1.00 0.74 H new ATOM 0 HD1 TYR A 153 10.768 -0.548 2.861 1.00 2.30 H new ATOM 0 HD2 TYR A 153 8.491 2.587 0.977 1.00 1.88 H new ATOM 0 HE1 TYR A 153 11.746 1.101 4.446 1.00 2.45 H new ATOM 0 HE2 TYR A 153 9.464 4.242 2.557 1.00 1.94 H new ATOM 0 HH TYR A 153 12.134 3.692 4.443 1.00 1.71 H new ATOM 2432 N SER A 154 10.116 -2.971 0.044 1.00 0.91 N ATOM 2433 CA SER A 154 9.681 -4.353 0.305 1.00 0.86 C ATOM 2434 C SER A 154 9.673 -4.557 1.835 1.00 1.00 C ATOM 2435 O SER A 154 10.306 -3.736 2.524 1.00 1.22 O ATOM 2436 CB SER A 154 10.644 -5.323 -0.403 1.00 1.28 C ATOM 2437 OG SER A 154 10.571 -5.148 -1.809 1.00 2.32 O ATOM 0 H SER A 154 11.062 -2.783 0.375 1.00 0.91 H new ATOM 0 HA SER A 154 8.680 -4.546 -0.082 1.00 0.86 H new ATOM 0 HB2 SER A 154 11.664 -5.149 -0.060 1.00 1.28 H new ATOM 0 HB3 SER A 154 10.392 -6.351 -0.144 1.00 1.28 H new ATOM 0 HG SER A 154 11.189 -5.769 -2.248 1.00 2.32 H new ATOM 2443 N PRO A 155 8.996 -5.587 2.390 1.00 0.82 N ATOM 2444 CA PRO A 155 8.908 -5.805 3.837 1.00 1.12 C ATOM 2445 C PRO A 155 10.282 -5.857 4.509 1.00 1.36 C ATOM 2446 O PRO A 155 10.450 -5.299 5.585 1.00 1.46 O ATOM 2447 CB PRO A 155 8.101 -7.096 4.032 1.00 1.42 C ATOM 2448 CG PRO A 155 8.166 -7.784 2.671 1.00 1.17 C ATOM 2449 CD PRO A 155 8.215 -6.607 1.706 1.00 0.98 C ATOM 0 HA PRO A 155 8.409 -4.966 4.323 1.00 1.12 H new ATOM 0 HB2 PRO A 155 8.531 -7.720 4.815 1.00 1.42 H new ATOM 0 HB3 PRO A 155 7.072 -6.883 4.322 1.00 1.42 H new ATOM 0 HG2 PRO A 155 9.047 -8.420 2.580 1.00 1.17 H new ATOM 0 HG3 PRO A 155 7.296 -8.417 2.495 1.00 1.17 H new ATOM 0 HD2 PRO A 155 8.679 -6.891 0.761 1.00 0.98 H new ATOM 0 HD3 PRO A 155 7.213 -6.246 1.473 1.00 0.98 H new ATOM 2457 N ASP A 156 11.293 -6.402 3.828 1.00 1.03 N ATOM 2458 CA ASP A 156 12.687 -6.509 4.285 1.00 1.29 C ATOM 2459 C ASP A 156 13.315 -5.181 4.736 1.00 1.34 C ATOM 2460 O ASP A 156 14.360 -5.155 5.392 1.00 1.80 O ATOM 2461 CB ASP A 156 13.549 -7.028 3.112 1.00 1.58 C ATOM 2462 CG ASP A 156 12.858 -8.026 2.179 1.00 1.81 C ATOM 2463 OD1 ASP A 156 12.002 -7.562 1.385 1.00 2.46 O ATOM 2464 OD2 ASP A 156 13.238 -9.211 2.250 1.00 3.12 O ATOM 0 H ASP A 156 11.159 -6.800 2.899 1.00 1.03 H new ATOM 0 HA ASP A 156 12.666 -7.176 5.147 1.00 1.29 H new ATOM 0 HB2 ASP A 156 13.880 -6.174 2.521 1.00 1.58 H new ATOM 0 HB3 ASP A 156 14.443 -7.498 3.521 1.00 1.58 H new ATOM 2469 N LYS A 157 12.723 -4.078 4.284 1.00 1.01 N ATOM 2470 CA LYS A 157 13.065 -2.701 4.601 1.00 1.04 C ATOM 2471 C LYS A 157 11.903 -1.969 5.300 1.00 1.25 C ATOM 2472 O LYS A 157 12.169 -1.175 6.198 1.00 1.31 O ATOM 2473 CB LYS A 157 13.528 -1.977 3.313 1.00 1.18 C ATOM 2474 CG LYS A 157 14.481 -2.784 2.405 1.00 1.50 C ATOM 2475 CD LYS A 157 15.792 -3.231 3.082 1.00 2.13 C ATOM 2476 CE LYS A 157 16.254 -4.609 2.578 1.00 2.70 C ATOM 2477 NZ LYS A 157 16.578 -5.532 3.699 1.00 3.55 N ATOM 0 H LYS A 157 11.934 -4.132 3.640 1.00 1.01 H new ATOM 0 HA LYS A 157 13.890 -2.696 5.314 1.00 1.04 H new ATOM 0 HB2 LYS A 157 12.646 -1.704 2.733 1.00 1.18 H new ATOM 0 HB3 LYS A 157 14.023 -1.048 3.597 1.00 1.18 H new ATOM 0 HG2 LYS A 157 13.955 -3.668 2.044 1.00 1.50 H new ATOM 0 HG3 LYS A 157 14.727 -2.180 1.532 1.00 1.50 H new ATOM 0 HD2 LYS A 157 16.571 -2.493 2.889 1.00 2.13 H new ATOM 0 HD3 LYS A 157 15.649 -3.268 4.162 1.00 2.13 H new ATOM 0 HE2 LYS A 157 15.472 -5.050 1.960 1.00 2.70 H new ATOM 0 HE3 LYS A 157 17.132 -4.487 1.943 1.00 2.70 H new ATOM 0 HZ1 LYS A 157 16.653 -6.504 3.337 1.00 3.55 H new ATOM 0 HZ2 LYS A 157 17.482 -5.251 4.129 1.00 3.55 H new ATOM 0 HZ3 LYS A 157 15.825 -5.486 4.415 1.00 3.55 H new ATOM 2491 N ALA A 158 10.640 -2.260 4.956 1.00 0.93 N ATOM 2492 CA ALA A 158 9.449 -1.617 5.542 1.00 0.92 C ATOM 2493 C ALA A 158 9.188 -2.005 7.010 1.00 1.10 C ATOM 2494 O ALA A 158 8.573 -1.232 7.735 1.00 1.07 O ATOM 2495 CB ALA A 158 8.225 -1.935 4.674 1.00 0.94 C ATOM 0 H ALA A 158 10.411 -2.960 4.251 1.00 0.93 H new ATOM 0 HA ALA A 158 9.641 -0.544 5.554 1.00 0.92 H new ATOM 0 HB1 ALA A 158 7.342 -1.462 5.103 1.00 0.94 H new ATOM 0 HB2 ALA A 158 8.386 -1.555 3.665 1.00 0.94 H new ATOM 0 HB3 ALA A 158 8.076 -3.014 4.636 1.00 0.94 H new ATOM 2501 N GLU A 159 9.694 -3.152 7.467 1.00 0.93 N ATOM 2502 CA GLU A 159 9.688 -3.555 8.880 1.00 1.05 C ATOM 2503 C GLU A 159 10.471 -2.572 9.782 1.00 1.41 C ATOM 2504 O GLU A 159 10.172 -2.431 10.973 1.00 1.65 O ATOM 2505 CB GLU A 159 10.284 -4.971 8.950 1.00 1.35 C ATOM 2506 CG GLU A 159 9.314 -6.042 8.423 1.00 1.45 C ATOM 2507 CD GLU A 159 8.162 -6.348 9.381 1.00 1.93 C ATOM 2508 OE1 GLU A 159 8.420 -6.437 10.599 1.00 3.17 O ATOM 2509 OE2 GLU A 159 7.023 -6.476 8.873 1.00 2.51 O ATOM 0 H GLU A 159 10.129 -3.843 6.855 1.00 0.93 H new ATOM 0 HA GLU A 159 8.666 -3.542 9.259 1.00 1.05 H new ATOM 0 HB2 GLU A 159 11.206 -5.003 8.370 1.00 1.35 H new ATOM 0 HB3 GLU A 159 10.548 -5.200 9.982 1.00 1.35 H new ATOM 0 HG2 GLU A 159 8.904 -5.711 7.469 1.00 1.45 H new ATOM 0 HG3 GLU A 159 9.869 -6.960 8.230 1.00 1.45 H new ATOM 2516 N ALA A 160 11.451 -1.846 9.219 1.00 1.11 N ATOM 2517 CA ALA A 160 12.285 -0.854 9.920 1.00 1.22 C ATOM 2518 C ALA A 160 11.510 0.424 10.329 1.00 1.26 C ATOM 2519 O ALA A 160 11.796 1.521 9.845 1.00 1.22 O ATOM 2520 CB ALA A 160 13.552 -0.543 9.095 1.00 1.33 C ATOM 0 H ALA A 160 11.693 -1.936 8.232 1.00 1.11 H new ATOM 0 HA ALA A 160 12.596 -1.301 10.865 1.00 1.22 H new ATOM 0 HB1 ALA A 160 14.160 0.191 9.624 1.00 1.33 H new ATOM 0 HB2 ALA A 160 14.128 -1.457 8.955 1.00 1.33 H new ATOM 0 HB3 ALA A 160 13.264 -0.143 8.123 1.00 1.33 H new ATOM 2526 N THR A 161 10.580 0.277 11.279 1.00 1.14 N ATOM 2527 CA THR A 161 9.678 1.301 11.850 1.00 1.12 C ATOM 2528 C THR A 161 10.295 2.701 11.904 1.00 1.22 C ATOM 2529 O THR A 161 9.866 3.589 11.176 1.00 1.40 O ATOM 2530 CB THR A 161 9.242 0.837 13.252 1.00 1.31 C ATOM 2531 OG1 THR A 161 8.426 -0.311 13.150 1.00 1.44 O ATOM 2532 CG2 THR A 161 8.435 1.884 14.021 1.00 1.45 C ATOM 0 H THR A 161 10.420 -0.634 11.708 1.00 1.14 H new ATOM 0 HA THR A 161 8.816 1.394 11.189 1.00 1.12 H new ATOM 0 HB THR A 161 10.168 0.642 13.793 1.00 1.31 H new ATOM 0 HG1 THR A 161 8.155 -0.600 14.046 1.00 1.44 H new ATOM 0 HG21 THR A 161 8.163 1.487 14.999 1.00 1.45 H new ATOM 0 HG22 THR A 161 9.036 2.784 14.149 1.00 1.45 H new ATOM 0 HG23 THR A 161 7.530 2.128 13.464 1.00 1.45 H new ATOM 2540 N ASP A 162 11.340 2.907 12.706 1.00 1.18 N ATOM 2541 CA ASP A 162 11.937 4.237 12.898 1.00 1.22 C ATOM 2542 C ASP A 162 12.749 4.741 11.686 1.00 1.51 C ATOM 2543 O ASP A 162 12.899 5.950 11.513 1.00 1.56 O ATOM 2544 CB ASP A 162 12.693 4.289 14.236 1.00 1.34 C ATOM 2545 CG ASP A 162 11.747 4.698 15.377 1.00 2.08 C ATOM 2546 OD1 ASP A 162 11.050 3.827 15.959 1.00 2.37 O ATOM 2547 OD2 ASP A 162 11.641 5.914 15.655 1.00 3.47 O ATOM 0 H ASP A 162 11.796 2.166 13.239 1.00 1.18 H new ATOM 0 HA ASP A 162 11.124 4.960 12.959 1.00 1.22 H new ATOM 0 HB2 ASP A 162 13.130 3.314 14.451 1.00 1.34 H new ATOM 0 HB3 ASP A 162 13.517 5.000 14.167 1.00 1.34 H new ATOM 2552 N ARG A 163 13.177 3.849 10.776 1.00 1.21 N ATOM 2553 CA ARG A 163 13.591 4.270 9.433 1.00 1.21 C ATOM 2554 C ARG A 163 12.400 4.809 8.644 1.00 1.25 C ATOM 2555 O ARG A 163 12.506 5.897 8.087 1.00 1.51 O ATOM 2556 CB ARG A 163 14.220 3.144 8.606 1.00 1.24 C ATOM 2557 CG ARG A 163 15.472 2.488 9.195 1.00 1.41 C ATOM 2558 CD ARG A 163 16.596 3.507 9.308 1.00 1.99 C ATOM 2559 NE ARG A 163 17.905 2.852 9.506 1.00 2.10 N ATOM 2560 CZ ARG A 163 18.948 2.868 8.679 1.00 3.43 C ATOM 2561 NH1 ARG A 163 18.965 3.532 7.538 1.00 4.84 N ATOM 2562 NH2 ARG A 163 20.032 2.197 9.006 1.00 3.80 N ATOM 0 H ARG A 163 13.244 2.845 10.946 1.00 1.21 H new ATOM 0 HA ARG A 163 14.343 5.042 9.596 1.00 1.21 H new ATOM 0 HB2 ARG A 163 13.468 2.370 8.454 1.00 1.24 H new ATOM 0 HB3 ARG A 163 14.472 3.541 7.623 1.00 1.24 H new ATOM 0 HG2 ARG A 163 15.246 2.074 10.178 1.00 1.41 H new ATOM 0 HG3 ARG A 163 15.787 1.657 8.564 1.00 1.41 H new ATOM 0 HD2 ARG A 163 16.627 4.117 8.406 1.00 1.99 H new ATOM 0 HD3 ARG A 163 16.395 4.180 10.142 1.00 1.99 H new ATOM 0 HE ARG A 163 18.023 2.329 10.374 1.00 2.10 H new ATOM 0 HH11 ARG A 163 18.148 4.071 7.249 1.00 4.84 H new ATOM 0 HH12 ARG A 163 19.795 3.506 6.945 1.00 4.84 H new ATOM 0 HH21 ARG A 163 20.064 1.675 9.882 1.00 3.80 H new ATOM 0 HH22 ARG A 163 20.840 2.199 8.384 1.00 3.80 H new ATOM 2576 N VAL A 164 11.276 4.083 8.624 1.00 1.07 N ATOM 2577 CA VAL A 164 10.050 4.507 7.923 1.00 0.99 C ATOM 2578 C VAL A 164 9.545 5.851 8.473 1.00 1.16 C ATOM 2579 O VAL A 164 9.163 6.705 7.679 1.00 1.18 O ATOM 2580 CB VAL A 164 8.944 3.421 7.943 1.00 0.97 C ATOM 2581 CG1 VAL A 164 7.660 3.876 7.230 1.00 0.96 C ATOM 2582 CG2 VAL A 164 9.407 2.115 7.279 1.00 1.20 C ATOM 0 H VAL A 164 11.187 3.182 9.094 1.00 1.07 H new ATOM 0 HA VAL A 164 10.311 4.648 6.874 1.00 0.99 H new ATOM 0 HB VAL A 164 8.735 3.251 8.999 1.00 0.97 H new ATOM 0 HG11 VAL A 164 6.918 3.079 7.273 1.00 0.96 H new ATOM 0 HG12 VAL A 164 7.266 4.765 7.722 1.00 0.96 H new ATOM 0 HG13 VAL A 164 7.884 4.107 6.189 1.00 0.96 H new ATOM 0 HG21 VAL A 164 8.601 1.382 7.316 1.00 1.20 H new ATOM 0 HG22 VAL A 164 9.674 2.310 6.240 1.00 1.20 H new ATOM 0 HG23 VAL A 164 10.276 1.725 7.810 1.00 1.20 H new ATOM 2592 N VAL A 165 9.639 6.099 9.788 1.00 1.02 N ATOM 2593 CA VAL A 165 9.361 7.426 10.381 1.00 1.03 C ATOM 2594 C VAL A 165 10.186 8.544 9.711 1.00 1.21 C ATOM 2595 O VAL A 165 9.610 9.542 9.275 1.00 1.33 O ATOM 2596 CB VAL A 165 9.597 7.426 11.911 1.00 1.14 C ATOM 2597 CG1 VAL A 165 9.454 8.827 12.541 1.00 1.24 C ATOM 2598 CG2 VAL A 165 8.615 6.490 12.631 1.00 1.31 C ATOM 0 H VAL A 165 9.908 5.392 10.472 1.00 1.02 H new ATOM 0 HA VAL A 165 8.307 7.633 10.196 1.00 1.03 H new ATOM 0 HB VAL A 165 10.622 7.080 12.040 1.00 1.14 H new ATOM 0 HG11 VAL A 165 9.631 8.763 13.615 1.00 1.24 H new ATOM 0 HG12 VAL A 165 10.182 9.503 12.093 1.00 1.24 H new ATOM 0 HG13 VAL A 165 8.448 9.206 12.361 1.00 1.24 H new ATOM 0 HG21 VAL A 165 8.809 6.514 13.703 1.00 1.31 H new ATOM 0 HG22 VAL A 165 7.593 6.818 12.439 1.00 1.31 H new ATOM 0 HG23 VAL A 165 8.745 5.473 12.262 1.00 1.31 H new ATOM 2608 N ALA A 166 11.517 8.405 9.613 1.00 1.09 N ATOM 2609 CA ALA A 166 12.391 9.437 9.030 1.00 1.16 C ATOM 2610 C ALA A 166 12.241 9.585 7.500 1.00 1.29 C ATOM 2611 O ALA A 166 12.322 10.686 6.952 1.00 1.44 O ATOM 2612 CB ALA A 166 13.834 9.073 9.395 1.00 1.32 C ATOM 0 H ALA A 166 12.018 7.577 9.935 1.00 1.09 H new ATOM 0 HA ALA A 166 12.102 10.405 9.440 1.00 1.16 H new ATOM 0 HB1 ALA A 166 14.513 9.817 8.979 1.00 1.32 H new ATOM 0 HB2 ALA A 166 13.940 9.051 10.480 1.00 1.32 H new ATOM 0 HB3 ALA A 166 14.076 8.092 8.986 1.00 1.32 H new ATOM 2618 N ASP A 167 12.012 8.462 6.825 1.00 0.97 N ATOM 2619 CA ASP A 167 11.834 8.345 5.383 1.00 0.98 C ATOM 2620 C ASP A 167 10.516 9.000 4.920 1.00 1.34 C ATOM 2621 O ASP A 167 10.511 9.747 3.939 1.00 1.43 O ATOM 2622 CB ASP A 167 11.909 6.835 5.141 1.00 1.10 C ATOM 2623 CG ASP A 167 11.864 6.397 3.691 1.00 1.39 C ATOM 2624 OD1 ASP A 167 10.730 6.176 3.227 1.00 2.57 O ATOM 2625 OD2 ASP A 167 12.940 6.102 3.124 1.00 2.08 O ATOM 0 H ASP A 167 11.942 7.560 7.297 1.00 0.97 H new ATOM 0 HA ASP A 167 12.586 8.875 4.798 1.00 0.98 H new ATOM 0 HB2 ASP A 167 12.831 6.460 5.586 1.00 1.10 H new ATOM 0 HB3 ASP A 167 11.083 6.360 5.670 1.00 1.10 H new ATOM 2630 N LEU A 168 9.440 8.833 5.705 1.00 1.01 N ATOM 2631 CA LEU A 168 8.171 9.563 5.547 1.00 1.10 C ATOM 2632 C LEU A 168 8.306 11.055 5.881 1.00 1.50 C ATOM 2633 O LEU A 168 7.757 11.889 5.164 1.00 1.75 O ATOM 2634 CB LEU A 168 7.072 8.926 6.417 1.00 1.11 C ATOM 2635 CG LEU A 168 6.595 7.544 5.926 1.00 1.23 C ATOM 2636 CD1 LEU A 168 5.660 6.955 6.988 1.00 1.60 C ATOM 2637 CD2 LEU A 168 5.853 7.601 4.582 1.00 1.54 C ATOM 0 H LEU A 168 9.427 8.174 6.483 1.00 1.01 H new ATOM 0 HA LEU A 168 7.892 9.489 4.496 1.00 1.10 H new ATOM 0 HB2 LEU A 168 7.444 8.828 7.437 1.00 1.11 H new ATOM 0 HB3 LEU A 168 6.217 9.601 6.453 1.00 1.11 H new ATOM 0 HG LEU A 168 7.479 6.925 5.772 1.00 1.23 H new ATOM 0 HD11 LEU A 168 5.310 5.976 6.662 1.00 1.60 H new ATOM 0 HD12 LEU A 168 6.198 6.852 7.930 1.00 1.60 H new ATOM 0 HD13 LEU A 168 4.806 7.618 7.129 1.00 1.60 H new ATOM 0 HD21 LEU A 168 5.545 6.596 4.294 1.00 1.54 H new ATOM 0 HD22 LEU A 168 4.973 8.237 4.679 1.00 1.54 H new ATOM 0 HD23 LEU A 168 6.514 8.011 3.818 1.00 1.54 H new ATOM 2649 N GLN A 169 9.059 11.418 6.924 1.00 1.12 N ATOM 2650 CA GLN A 169 9.346 12.825 7.259 1.00 1.27 C ATOM 2651 C GLN A 169 10.035 13.573 6.097 1.00 1.67 C ATOM 2652 O GLN A 169 9.737 14.737 5.850 1.00 1.94 O ATOM 2653 CB GLN A 169 10.186 12.873 8.552 1.00 1.34 C ATOM 2654 CG GLN A 169 9.350 12.680 9.833 1.00 1.41 C ATOM 2655 CD GLN A 169 8.678 13.952 10.362 1.00 2.27 C ATOM 2656 OE1 GLN A 169 9.094 15.072 10.131 1.00 3.14 O ATOM 2657 NE2 GLN A 169 7.635 13.841 11.161 1.00 3.32 N ATOM 0 H GLN A 169 9.489 10.748 7.562 1.00 1.12 H new ATOM 0 HA GLN A 169 8.403 13.345 7.427 1.00 1.27 H new ATOM 0 HB2 GLN A 169 10.953 12.099 8.507 1.00 1.34 H new ATOM 0 HB3 GLN A 169 10.703 13.831 8.605 1.00 1.34 H new ATOM 0 HG2 GLN A 169 8.580 11.934 9.638 1.00 1.41 H new ATOM 0 HG3 GLN A 169 9.995 12.276 10.613 1.00 1.41 H new ATOM 0 HE21 GLN A 169 7.256 12.920 11.380 1.00 3.32 H new ATOM 0 HE22 GLN A 169 7.207 14.676 11.560 1.00 3.32 H new ATOM 2666 N ALA A 170 10.892 12.890 5.330 1.00 1.28 N ATOM 2667 CA ALA A 170 11.583 13.402 4.143 1.00 1.40 C ATOM 2668 C ALA A 170 10.692 13.674 2.908 1.00 1.57 C ATOM 2669 O ALA A 170 11.193 14.159 1.888 1.00 1.95 O ATOM 2670 CB ALA A 170 12.664 12.384 3.800 1.00 1.36 C ATOM 0 H ALA A 170 11.134 11.919 5.530 1.00 1.28 H new ATOM 0 HA ALA A 170 11.979 14.386 4.393 1.00 1.40 H new ATOM 0 HB1 ALA A 170 13.212 12.718 2.919 1.00 1.36 H new ATOM 0 HB2 ALA A 170 13.352 12.287 4.640 1.00 1.36 H new ATOM 0 HB3 ALA A 170 12.202 11.418 3.596 1.00 1.36 H new ATOM 2676 N LEU A 171 9.445 13.197 2.907 1.00 1.39 N ATOM 2677 CA LEU A 171 8.511 13.274 1.780 1.00 1.47 C ATOM 2678 C LEU A 171 7.163 13.914 2.119 1.00 1.71 C ATOM 2679 O LEU A 171 6.344 14.032 1.209 1.00 1.96 O ATOM 2680 CB LEU A 171 8.436 11.906 1.102 1.00 1.73 C ATOM 2681 CG LEU A 171 7.837 10.792 1.964 1.00 1.63 C ATOM 2682 CD1 LEU A 171 6.318 10.920 2.053 1.00 2.75 C ATOM 2683 CD2 LEU A 171 8.257 9.464 1.359 1.00 2.86 C ATOM 0 H LEU A 171 9.043 12.730 3.720 1.00 1.39 H new ATOM 0 HA LEU A 171 8.902 13.981 1.049 1.00 1.47 H new ATOM 0 HB2 LEU A 171 7.844 12.000 0.192 1.00 1.73 H new ATOM 0 HB3 LEU A 171 9.441 11.611 0.799 1.00 1.73 H new ATOM 0 HG LEU A 171 8.207 10.863 2.987 1.00 1.63 H new ATOM 0 HD11 LEU A 171 5.921 10.115 2.672 1.00 2.75 H new ATOM 0 HD12 LEU A 171 6.059 11.881 2.498 1.00 2.75 H new ATOM 0 HD13 LEU A 171 5.888 10.855 1.053 1.00 2.75 H new ATOM 0 HD21 LEU A 171 7.845 8.647 1.952 1.00 2.86 H new ATOM 0 HD22 LEU A 171 7.883 9.395 0.337 1.00 2.86 H new ATOM 0 HD23 LEU A 171 9.345 9.395 1.353 1.00 2.86 H new ATOM 2695 N LEU A 172 6.967 14.314 3.383 1.00 1.52 N ATOM 2696 CA LEU A 172 5.692 14.786 3.971 1.00 1.60 C ATOM 2697 C LEU A 172 4.952 15.901 3.213 1.00 2.00 C ATOM 2698 O LEU A 172 3.707 15.914 3.297 1.00 2.45 O ATOM 2699 CB LEU A 172 5.852 14.949 5.496 1.00 1.72 C ATOM 2700 CG LEU A 172 6.448 16.277 5.955 1.00 2.24 C ATOM 2701 CD1 LEU A 172 5.447 17.412 5.764 1.00 3.62 C ATOM 2702 CD2 LEU A 172 6.781 16.171 7.442 1.00 2.62 C ATOM 2703 OXT LEU A 172 5.574 16.761 2.557 1.00 2.50 O ATOM 0 H LEU A 172 7.728 14.320 4.063 1.00 1.52 H new ATOM 0 HA LEU A 172 4.951 14.001 3.819 1.00 1.60 H new ATOM 0 HB2 LEU A 172 4.874 14.829 5.961 1.00 1.72 H new ATOM 0 HB3 LEU A 172 6.482 14.140 5.866 1.00 1.72 H new ATOM 0 HG LEU A 172 7.340 16.487 5.365 1.00 2.24 H new ATOM 0 HD11 LEU A 172 5.892 18.350 6.097 1.00 3.62 H new ATOM 0 HD12 LEU A 172 5.183 17.491 4.709 1.00 3.62 H new ATOM 0 HD13 LEU A 172 4.550 17.208 6.349 1.00 3.62 H new ATOM 0 HD21 LEU A 172 7.208 17.112 7.787 1.00 2.62 H new ATOM 0 HD22 LEU A 172 5.872 15.958 8.004 1.00 2.62 H new ATOM 0 HD23 LEU A 172 7.501 15.367 7.597 1.00 2.62 H new TER 2715 LEU A 172