USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 854 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 46 THR OG1 : rot 67:sc= -0.12 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.11 X(o=-0.0099,f=-0.22) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.0661 X(o=0.21,f=-0.11) USER MOD Set 2.2: A 95 TYR OH : rot 0:sc= 0.277 USER MOD Set 3.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0683) USER MOD Single : A 10 TYR OH : rot -41:sc= 1.05 USER MOD Single : A 13 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0141) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -82:sc= 0.668 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= -1.03 (180deg=-1.73!) USER MOD Single : A 40 SER OG : rot 31:sc= 0.263 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 65 TYR OH : rot 130:sc=-6.88e-05 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 81 TYR OH : rot -160:sc= -0.599 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 0.223 (180deg=0.179) USER MOD Single : A 86 MET CE :methyl -138:sc= -0.706 (180deg=-4.4!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.85) USER MOD Single : A 92 THR OG1 : rot -24:sc= 0.325 USER MOD Single : A 100 THR OG1 : rot 7:sc= 0.366 USER MOD Single : A 103 SER OG : rot 4:sc= -0.105 USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0203 (180deg=-0.237) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -2.103 19.649 -2.670 1.00 51.21 N ATOM 43 CA LYS A 3 -2.340 18.250 -2.236 1.00 13.13 C ATOM 44 C LYS A 3 -2.109 18.108 -0.711 1.00 51.14 C ATOM 45 O LYS A 3 -1.718 19.073 -0.039 1.00 50.40 O ATOM 46 CB LYS A 3 -1.410 17.277 -3.019 1.00 52.12 C ATOM 47 CG LYS A 3 -1.507 17.386 -4.559 1.00 53.31 C ATOM 48 CD LYS A 3 -2.963 17.260 -5.073 1.00 43.51 C ATOM 49 CE LYS A 3 -3.072 17.298 -6.605 1.00 3.44 C ATOM 50 NZ LYS A 3 -2.441 16.113 -7.239 1.00 45.55 N ATOM 0 HA LYS A 3 -3.376 17.991 -2.452 1.00 13.13 H new ATOM 0 HB2 LYS A 3 -0.378 17.463 -2.720 1.00 52.12 H new ATOM 0 HB3 LYS A 3 -1.648 16.255 -2.725 1.00 52.12 H new ATOM 0 HG2 LYS A 3 -1.094 18.343 -4.879 1.00 53.31 H new ATOM 0 HG3 LYS A 3 -0.896 16.607 -5.014 1.00 53.31 H new ATOM 0 HD2 LYS A 3 -3.390 16.326 -4.708 1.00 43.51 H new ATOM 0 HD3 LYS A 3 -3.561 18.069 -4.653 1.00 43.51 H new ATOM 0 HE2 LYS A 3 -4.122 17.346 -6.892 1.00 3.44 H new ATOM 0 HE3 LYS A 3 -2.597 18.205 -6.979 1.00 3.44 H new ATOM 0 HZ1 LYS A 3 -2.668 16.100 -8.254 1.00 45.55 H new ATOM 0 HZ2 LYS A 3 -1.409 16.161 -7.116 1.00 45.55 H new ATOM 0 HZ3 LYS A 3 -2.803 15.246 -6.792 1.00 45.55 H new ATOM 64 N GLU A 4 -2.358 16.904 -0.173 1.00 31.44 N ATOM 65 CA GLU A 4 -2.186 16.608 1.264 1.00 24.10 C ATOM 66 C GLU A 4 -1.697 15.163 1.463 1.00 71.14 C ATOM 67 O GLU A 4 -2.414 14.213 1.150 1.00 32.03 O ATOM 68 CB GLU A 4 -3.531 16.826 2.016 1.00 45.25 C ATOM 69 CG GLU A 4 -3.494 16.483 3.526 1.00 34.33 C ATOM 70 CD GLU A 4 -4.850 16.656 4.237 1.00 71.53 C ATOM 71 OE1 GLU A 4 -5.838 16.026 3.807 1.00 0.40 O ATOM 72 OE2 GLU A 4 -4.939 17.425 5.221 1.00 71.43 O ATOM 0 H GLU A 4 -2.684 16.106 -0.719 1.00 31.44 H new ATOM 0 HA GLU A 4 -1.436 17.286 1.672 1.00 24.10 H new ATOM 0 HB2 GLU A 4 -3.830 17.868 1.902 1.00 45.25 H new ATOM 0 HB3 GLU A 4 -4.300 16.219 1.539 1.00 45.25 H new ATOM 0 HG2 GLU A 4 -3.160 15.452 3.647 1.00 34.33 H new ATOM 0 HG3 GLU A 4 -2.755 17.117 4.015 1.00 34.33 H new ATOM 79 N LYS A 5 -0.476 15.011 1.986 1.00 31.43 N ATOM 80 CA LYS A 5 0.063 13.700 2.382 1.00 5.01 C ATOM 81 C LYS A 5 -0.665 13.198 3.650 1.00 2.52 C ATOM 82 O LYS A 5 -0.740 13.911 4.652 1.00 30.40 O ATOM 83 CB LYS A 5 1.594 13.821 2.620 1.00 60.34 C ATOM 84 CG LYS A 5 2.356 12.489 2.923 1.00 22.01 C ATOM 85 CD LYS A 5 2.429 12.121 4.431 1.00 22.42 C ATOM 86 CE LYS A 5 3.133 13.206 5.264 1.00 43.42 C ATOM 87 NZ LYS A 5 3.270 12.839 6.688 1.00 33.04 N ATOM 0 H LYS A 5 0.166 15.787 2.147 1.00 31.43 H new ATOM 0 HA LYS A 5 -0.104 12.973 1.587 1.00 5.01 H new ATOM 0 HB2 LYS A 5 2.042 14.278 1.738 1.00 60.34 H new ATOM 0 HB3 LYS A 5 1.758 14.506 3.452 1.00 60.34 H new ATOM 0 HG2 LYS A 5 1.869 11.675 2.386 1.00 22.01 H new ATOM 0 HG3 LYS A 5 3.370 12.567 2.531 1.00 22.01 H new ATOM 0 HD2 LYS A 5 1.420 11.969 4.815 1.00 22.42 H new ATOM 0 HD3 LYS A 5 2.960 11.176 4.547 1.00 22.42 H new ATOM 0 HE2 LYS A 5 4.122 13.394 4.846 1.00 43.42 H new ATOM 0 HE3 LYS A 5 2.572 14.137 5.186 1.00 43.42 H new ATOM 0 HZ1 LYS A 5 3.751 13.606 7.200 1.00 33.04 H new ATOM 0 HZ2 LYS A 5 2.327 12.686 7.099 1.00 33.04 H new ATOM 0 HZ3 LYS A 5 3.829 11.966 6.769 1.00 33.04 H new ATOM 101 N ILE A 6 -1.174 11.960 3.598 1.00 3.05 N ATOM 102 CA ILE A 6 -1.878 11.309 4.722 1.00 51.12 C ATOM 103 C ILE A 6 -1.312 9.876 4.895 1.00 55.03 C ATOM 104 O ILE A 6 -1.160 9.134 3.924 1.00 35.12 O ATOM 105 CB ILE A 6 -3.457 11.286 4.535 1.00 14.25 C ATOM 106 CG1 ILE A 6 -3.904 10.358 3.360 1.00 13.40 C ATOM 107 CG2 ILE A 6 -4.008 12.724 4.330 1.00 13.51 C ATOM 108 CD1 ILE A 6 -5.410 10.188 3.206 1.00 12.24 C ATOM 0 H ILE A 6 -1.110 11.372 2.767 1.00 3.05 H new ATOM 0 HA ILE A 6 -1.700 11.895 5.624 1.00 51.12 H new ATOM 0 HB ILE A 6 -3.878 10.872 5.451 1.00 14.25 H new ATOM 0 HG12 ILE A 6 -3.502 10.758 2.429 1.00 13.40 H new ATOM 0 HG13 ILE A 6 -3.456 9.375 3.504 1.00 13.40 H new ATOM 0 HG21 ILE A 6 -5.090 12.685 4.204 1.00 13.51 H new ATOM 0 HG22 ILE A 6 -3.766 13.334 5.200 1.00 13.51 H new ATOM 0 HG23 ILE A 6 -3.555 13.164 3.441 1.00 13.51 H new ATOM 0 HD11 ILE A 6 -5.617 9.527 2.364 1.00 12.24 H new ATOM 0 HD12 ILE A 6 -5.822 9.755 4.117 1.00 12.24 H new ATOM 0 HD13 ILE A 6 -5.869 11.160 3.026 1.00 12.24 H new ATOM 120 N HIS A 7 -0.911 9.528 6.123 1.00 1.22 N ATOM 121 CA HIS A 7 -0.458 8.165 6.459 1.00 23.20 C ATOM 122 C HIS A 7 -1.548 7.445 7.293 1.00 13.44 C ATOM 123 O HIS A 7 -1.944 7.915 8.364 1.00 32.32 O ATOM 124 CB HIS A 7 0.919 8.209 7.174 1.00 4.33 C ATOM 125 CG HIS A 7 0.968 8.967 8.471 1.00 15.21 C ATOM 126 ND1 HIS A 7 0.803 8.368 9.702 1.00 4.13 N ATOM 127 CD2 HIS A 7 1.198 10.275 8.727 1.00 31.21 C ATOM 128 CE1 HIS A 7 0.923 9.270 10.650 1.00 62.41 C ATOM 129 NE2 HIS A 7 1.169 10.438 10.089 1.00 52.33 N ATOM 0 H HIS A 7 -0.890 10.176 6.911 1.00 1.22 H new ATOM 0 HA HIS A 7 -0.312 7.587 5.546 1.00 23.20 H new ATOM 0 HB2 HIS A 7 1.240 7.185 7.363 1.00 4.33 H new ATOM 0 HB3 HIS A 7 1.646 8.650 6.492 1.00 4.33 H new ATOM 0 HD2 HIS A 7 1.372 11.049 7.994 1.00 31.21 H new ATOM 0 HE1 HIS A 7 0.835 9.086 11.711 1.00 62.41 H new ATOM 0 HE2 HIS A 7 1.314 11.317 10.586 1.00 52.33 H new ATOM 138 N LEU A 8 -2.066 6.324 6.756 1.00 41.34 N ATOM 139 CA LEU A 8 -3.219 5.588 7.329 1.00 71.25 C ATOM 140 C LEU A 8 -2.746 4.308 8.047 1.00 2.40 C ATOM 141 O LEU A 8 -1.875 3.612 7.541 1.00 1.13 O ATOM 142 CB LEU A 8 -4.246 5.205 6.221 1.00 52.12 C ATOM 143 CG LEU A 8 -4.788 6.355 5.308 1.00 62.31 C ATOM 144 CD1 LEU A 8 -5.192 7.602 6.125 1.00 24.44 C ATOM 145 CD2 LEU A 8 -3.807 6.697 4.161 1.00 13.21 C ATOM 0 H LEU A 8 -1.697 5.897 5.906 1.00 41.34 H new ATOM 0 HA LEU A 8 -3.703 6.248 8.048 1.00 71.25 H new ATOM 0 HB2 LEU A 8 -3.784 4.455 5.579 1.00 52.12 H new ATOM 0 HB3 LEU A 8 -5.099 4.729 6.704 1.00 52.12 H new ATOM 0 HG LEU A 8 -5.698 5.983 4.838 1.00 62.31 H new ATOM 0 HD11 LEU A 8 -5.562 8.374 5.451 1.00 24.44 H new ATOM 0 HD12 LEU A 8 -5.975 7.334 6.835 1.00 24.44 H new ATOM 0 HD13 LEU A 8 -4.324 7.979 6.667 1.00 24.44 H new ATOM 0 HD21 LEU A 8 -4.224 7.500 3.553 1.00 13.21 H new ATOM 0 HD22 LEU A 8 -2.854 7.017 4.581 1.00 13.21 H new ATOM 0 HD23 LEU A 8 -3.652 5.815 3.540 1.00 13.21 H new ATOM 157 N GLU A 9 -3.362 3.982 9.196 1.00 33.35 N ATOM 158 CA GLU A 9 -2.940 2.847 10.054 1.00 11.13 C ATOM 159 C GLU A 9 -4.099 1.853 10.309 1.00 4.22 C ATOM 160 O GLU A 9 -5.184 2.238 10.761 1.00 73.04 O ATOM 161 CB GLU A 9 -2.397 3.400 11.397 1.00 55.45 C ATOM 162 CG GLU A 9 -1.977 2.337 12.426 1.00 32.40 C ATOM 163 CD GLU A 9 -1.545 2.950 13.769 1.00 41.53 C ATOM 164 OE1 GLU A 9 -2.413 3.189 14.630 1.00 75.11 O ATOM 165 OE2 GLU A 9 -0.340 3.220 13.962 1.00 0.05 O ATOM 0 H GLU A 9 -4.166 4.493 9.561 1.00 33.35 H new ATOM 0 HA GLU A 9 -2.156 2.297 9.534 1.00 11.13 H new ATOM 0 HB2 GLU A 9 -1.538 4.038 11.187 1.00 55.45 H new ATOM 0 HB3 GLU A 9 -3.162 4.033 11.846 1.00 55.45 H new ATOM 0 HG2 GLU A 9 -2.808 1.652 12.594 1.00 32.40 H new ATOM 0 HG3 GLU A 9 -1.155 1.748 12.019 1.00 32.40 H new ATOM 172 N TYR A 10 -3.833 0.560 10.026 1.00 31.42 N ATOM 173 CA TYR A 10 -4.792 -0.556 10.192 1.00 30.33 C ATOM 174 C TYR A 10 -4.133 -1.666 11.043 1.00 63.53 C ATOM 175 O TYR A 10 -3.038 -2.118 10.717 1.00 72.51 O ATOM 176 CB TYR A 10 -5.202 -1.129 8.798 1.00 74.23 C ATOM 177 CG TYR A 10 -5.462 -0.057 7.722 1.00 24.35 C ATOM 178 CD1 TYR A 10 -6.685 0.628 7.647 1.00 71.11 C ATOM 179 CD2 TYR A 10 -4.470 0.285 6.792 1.00 35.03 C ATOM 180 CE1 TYR A 10 -6.900 1.603 6.687 1.00 53.54 C ATOM 181 CE2 TYR A 10 -4.685 1.256 5.834 1.00 34.32 C ATOM 182 CZ TYR A 10 -5.900 1.910 5.785 1.00 74.22 C ATOM 183 OH TYR A 10 -6.111 2.883 4.834 1.00 25.35 O ATOM 0 H TYR A 10 -2.928 0.255 9.668 1.00 31.42 H new ATOM 0 HA TYR A 10 -5.688 -0.190 10.694 1.00 30.33 H new ATOM 0 HB2 TYR A 10 -4.415 -1.796 8.447 1.00 74.23 H new ATOM 0 HB3 TYR A 10 -6.102 -1.733 8.917 1.00 74.23 H new ATOM 0 HD1 TYR A 10 -7.471 0.391 8.349 1.00 71.11 H new ATOM 0 HD2 TYR A 10 -3.517 -0.222 6.826 1.00 35.03 H new ATOM 0 HE1 TYR A 10 -7.846 2.121 6.644 1.00 53.54 H new ATOM 0 HE2 TYR A 10 -3.907 1.503 5.127 1.00 34.32 H new ATOM 0 HH TYR A 10 -7.018 2.796 4.473 1.00 25.35 H new ATOM 193 N LEU A 11 -4.796 -2.112 12.118 1.00 33.03 N ATOM 194 CA LEU A 11 -4.242 -3.140 13.025 1.00 0.03 C ATOM 195 C LEU A 11 -4.809 -4.518 12.625 1.00 13.30 C ATOM 196 O LEU A 11 -5.965 -4.832 12.924 1.00 41.30 O ATOM 197 CB LEU A 11 -4.569 -2.820 14.522 1.00 51.34 C ATOM 198 CG LEU A 11 -3.861 -1.570 15.159 1.00 74.44 C ATOM 199 CD1 LEU A 11 -4.386 -0.231 14.577 1.00 24.53 C ATOM 200 CD2 LEU A 11 -3.982 -1.589 16.705 1.00 24.35 C ATOM 0 H LEU A 11 -5.722 -1.778 12.386 1.00 33.03 H new ATOM 0 HA LEU A 11 -3.156 -3.147 12.929 1.00 0.03 H new ATOM 0 HB2 LEU A 11 -5.646 -2.680 14.610 1.00 51.34 H new ATOM 0 HB3 LEU A 11 -4.312 -3.695 15.119 1.00 51.34 H new ATOM 0 HG LEU A 11 -2.805 -1.637 14.896 1.00 74.44 H new ATOM 0 HD11 LEU A 11 -3.865 0.601 15.050 1.00 24.53 H new ATOM 0 HD12 LEU A 11 -4.207 -0.207 13.502 1.00 24.53 H new ATOM 0 HD13 LEU A 11 -5.456 -0.145 14.769 1.00 24.53 H new ATOM 0 HD21 LEU A 11 -3.483 -0.713 17.120 1.00 24.35 H new ATOM 0 HD22 LEU A 11 -5.035 -1.575 16.988 1.00 24.35 H new ATOM 0 HD23 LEU A 11 -3.513 -2.492 17.096 1.00 24.35 H new ATOM 212 N LEU A 12 -3.996 -5.324 11.919 1.00 22.01 N ATOM 213 CA LEU A 12 -4.422 -6.649 11.415 1.00 65.50 C ATOM 214 C LEU A 12 -4.250 -7.739 12.484 1.00 51.32 C ATOM 215 O LEU A 12 -3.126 -8.073 12.874 1.00 24.21 O ATOM 216 CB LEU A 12 -3.651 -7.022 10.099 1.00 73.43 C ATOM 217 CG LEU A 12 -4.263 -6.470 8.773 1.00 30.24 C ATOM 218 CD1 LEU A 12 -5.695 -7.018 8.564 1.00 2.02 C ATOM 219 CD2 LEU A 12 -4.230 -4.927 8.725 1.00 21.11 C ATOM 0 H LEU A 12 -3.034 -5.082 11.682 1.00 22.01 H new ATOM 0 HA LEU A 12 -5.484 -6.587 11.179 1.00 65.50 H new ATOM 0 HB2 LEU A 12 -2.627 -6.657 10.184 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -3.597 -8.108 10.027 1.00 73.43 H new ATOM 0 HG LEU A 12 -3.644 -6.822 7.948 1.00 30.24 H new ATOM 0 HD11 LEU A 12 -6.104 -6.622 7.635 1.00 2.02 H new ATOM 0 HD12 LEU A 12 -5.664 -8.106 8.512 1.00 2.02 H new ATOM 0 HD13 LEU A 12 -6.327 -6.712 9.398 1.00 2.02 H new ATOM 0 HD21 LEU A 12 -4.665 -4.583 7.787 1.00 21.11 H new ATOM 0 HD22 LEU A 12 -4.804 -4.525 9.560 1.00 21.11 H new ATOM 0 HD23 LEU A 12 -3.198 -4.583 8.795 1.00 21.11 H new ATOM 231 N ASN A 13 -5.393 -8.294 12.933 1.00 61.53 N ATOM 232 CA ASN A 13 -5.436 -9.466 13.817 1.00 1.44 C ATOM 233 C ASN A 13 -5.237 -10.737 12.967 1.00 53.44 C ATOM 234 O ASN A 13 -6.208 -11.364 12.518 1.00 61.41 O ATOM 235 CB ASN A 13 -6.779 -9.517 14.595 1.00 33.22 C ATOM 236 CG ASN A 13 -7.022 -8.313 15.510 1.00 25.52 C ATOM 237 OD1 ASN A 13 -6.536 -7.207 15.274 1.00 0.44 O ATOM 238 ND2 ASN A 13 -7.797 -8.513 16.559 1.00 14.41 N ATOM 0 H ASN A 13 -6.316 -7.936 12.688 1.00 61.53 H new ATOM 0 HA ASN A 13 -4.637 -9.399 14.555 1.00 1.44 H new ATOM 0 HB2 ASN A 13 -7.598 -9.586 13.879 1.00 33.22 H new ATOM 0 HB3 ASN A 13 -6.803 -10.426 15.196 1.00 33.22 H new ATOM 0 HD21 ASN A 13 -8.004 -7.742 17.194 1.00 14.41 H new ATOM 0 HD22 ASN A 13 -8.189 -9.438 16.735 1.00 14.41 H new ATOM 280 N LYS A 17 1.683 -12.154 9.124 1.00 75.33 N ATOM 281 CA LYS A 17 1.201 -11.966 7.738 1.00 2.44 C ATOM 282 C LYS A 17 1.794 -10.663 7.140 1.00 43.43 C ATOM 283 O LYS A 17 1.077 -9.688 6.879 1.00 73.12 O ATOM 284 CB LYS A 17 -0.356 -11.923 7.682 1.00 15.14 C ATOM 285 CG LYS A 17 -1.090 -13.169 8.222 1.00 75.11 C ATOM 286 CD LYS A 17 -0.778 -14.473 7.452 1.00 63.12 C ATOM 287 CE LYS A 17 -1.724 -15.622 7.858 1.00 54.44 C ATOM 288 NZ LYS A 17 -1.695 -15.901 9.321 1.00 50.41 N ATOM 0 HA LYS A 17 1.536 -12.817 7.145 1.00 2.44 H new ATOM 0 HB2 LYS A 17 -0.696 -11.054 8.245 1.00 15.14 H new ATOM 0 HB3 LYS A 17 -0.658 -11.769 6.646 1.00 15.14 H new ATOM 0 HG2 LYS A 17 -0.825 -13.307 9.270 1.00 75.11 H new ATOM 0 HG3 LYS A 17 -2.164 -12.988 8.186 1.00 75.11 H new ATOM 0 HD2 LYS A 17 -0.866 -14.292 6.381 1.00 63.12 H new ATOM 0 HD3 LYS A 17 0.254 -14.768 7.642 1.00 63.12 H new ATOM 0 HE2 LYS A 17 -2.742 -15.371 7.560 1.00 54.44 H new ATOM 0 HE3 LYS A 17 -1.446 -16.525 7.315 1.00 54.44 H new ATOM 0 HZ1 LYS A 17 -2.296 -16.724 9.529 1.00 50.41 H new ATOM 0 HZ2 LYS A 17 -0.718 -16.101 9.617 1.00 50.41 H new ATOM 0 HZ3 LYS A 17 -2.051 -15.073 9.839 1.00 50.41 H new ATOM 302 N ASN A 18 3.128 -10.629 6.984 1.00 75.11 N ATOM 303 CA ASN A 18 3.809 -9.569 6.184 1.00 42.22 C ATOM 304 C ASN A 18 3.489 -9.727 4.675 1.00 41.45 C ATOM 305 O ASN A 18 3.452 -8.746 3.927 1.00 73.12 O ATOM 306 CB ASN A 18 5.345 -9.574 6.435 1.00 72.43 C ATOM 307 CG ASN A 18 5.971 -10.963 6.306 1.00 33.21 C ATOM 308 OD1 ASN A 18 6.368 -11.385 5.223 1.00 50.32 O ATOM 309 ND2 ASN A 18 6.072 -11.676 7.414 1.00 24.15 N ATOM 0 H ASN A 18 3.763 -11.314 7.394 1.00 75.11 H new ATOM 0 HA ASN A 18 3.425 -8.603 6.511 1.00 42.22 H new ATOM 0 HB2 ASN A 18 5.825 -8.899 5.726 1.00 72.43 H new ATOM 0 HB3 ASN A 18 5.545 -9.183 7.433 1.00 72.43 H new ATOM 0 HD21 ASN A 18 6.490 -12.606 7.386 1.00 24.15 H new ATOM 0 HD22 ASN A 18 5.732 -11.296 8.298 1.00 24.15 H new ATOM 316 N ILE A 19 3.221 -10.995 4.282 1.00 2.51 N ATOM 317 CA ILE A 19 2.959 -11.441 2.888 1.00 25.23 C ATOM 318 C ILE A 19 1.829 -10.611 2.194 1.00 44.13 C ATOM 319 O ILE A 19 1.846 -10.456 0.964 1.00 2.11 O ATOM 320 CB ILE A 19 2.607 -12.999 2.835 1.00 3.23 C ATOM 321 CG1 ILE A 19 3.718 -13.905 3.511 1.00 63.02 C ATOM 322 CG2 ILE A 19 2.354 -13.473 1.378 1.00 11.23 C ATOM 323 CD1 ILE A 19 3.626 -14.044 5.026 1.00 21.51 C ATOM 0 H ILE A 19 3.179 -11.765 4.949 1.00 2.51 H new ATOM 0 HA ILE A 19 3.881 -11.267 2.334 1.00 25.23 H new ATOM 0 HB ILE A 19 1.691 -13.117 3.413 1.00 3.23 H new ATOM 0 HG12 ILE A 19 3.667 -14.900 3.070 1.00 63.02 H new ATOM 0 HG13 ILE A 19 4.697 -13.495 3.261 1.00 63.02 H new ATOM 0 HG21 ILE A 19 2.117 -14.537 1.377 1.00 11.23 H new ATOM 0 HG22 ILE A 19 1.519 -12.915 0.954 1.00 11.23 H new ATOM 0 HG23 ILE A 19 3.248 -13.300 0.779 1.00 11.23 H new ATOM 0 HD11 ILE A 19 4.433 -14.684 5.382 1.00 21.51 H new ATOM 0 HD12 ILE A 19 3.712 -13.060 5.488 1.00 21.51 H new ATOM 0 HD13 ILE A 19 2.667 -14.487 5.293 1.00 21.51 H new ATOM 335 N LEU A 20 0.900 -10.041 3.018 1.00 62.44 N ATOM 336 CA LEU A 20 -0.272 -9.233 2.557 1.00 63.54 C ATOM 337 C LEU A 20 0.108 -8.241 1.427 1.00 63.13 C ATOM 338 O LEU A 20 -0.392 -8.344 0.300 1.00 24.55 O ATOM 339 CB LEU A 20 -0.877 -8.436 3.758 1.00 73.52 C ATOM 340 CG LEU A 20 -1.528 -9.279 4.901 1.00 62.33 C ATOM 341 CD1 LEU A 20 -1.930 -8.379 6.098 1.00 3.32 C ATOM 342 CD2 LEU A 20 -2.734 -10.098 4.381 1.00 64.12 C ATOM 0 H LEU A 20 0.945 -10.131 4.033 1.00 62.44 H new ATOM 0 HA LEU A 20 -1.007 -9.932 2.158 1.00 63.54 H new ATOM 0 HB2 LEU A 20 -0.087 -7.825 4.194 1.00 73.52 H new ATOM 0 HB3 LEU A 20 -1.631 -7.752 3.368 1.00 73.52 H new ATOM 0 HG LEU A 20 -0.781 -9.989 5.256 1.00 62.33 H new ATOM 0 HD11 LEU A 20 -2.381 -8.992 6.879 1.00 3.32 H new ATOM 0 HD12 LEU A 20 -1.044 -7.882 6.493 1.00 3.32 H new ATOM 0 HD13 LEU A 20 -2.648 -7.630 5.765 1.00 3.32 H new ATOM 0 HD21 LEU A 20 -3.164 -10.673 5.201 1.00 64.12 H new ATOM 0 HD22 LEU A 20 -3.487 -9.421 3.979 1.00 64.12 H new ATOM 0 HD23 LEU A 20 -2.401 -10.778 3.597 1.00 64.12 H new ATOM 354 N TRP A 21 0.997 -7.289 1.746 1.00 61.32 N ATOM 355 CA TRP A 21 1.548 -6.338 0.762 1.00 61.42 C ATOM 356 C TRP A 21 2.969 -6.707 0.300 1.00 61.14 C ATOM 357 O TRP A 21 3.380 -6.254 -0.748 1.00 23.53 O ATOM 358 CB TRP A 21 1.509 -4.905 1.321 1.00 43.12 C ATOM 359 CG TRP A 21 0.108 -4.334 1.448 1.00 34.12 C ATOM 360 CD1 TRP A 21 -0.758 -4.460 2.504 1.00 11.42 C ATOM 361 CD2 TRP A 21 -0.574 -3.527 0.472 1.00 44.34 C ATOM 362 NE1 TRP A 21 -1.914 -3.767 2.247 1.00 62.33 N ATOM 363 CE2 TRP A 21 -1.829 -3.192 1.009 1.00 41.33 C ATOM 364 CE3 TRP A 21 -0.232 -3.053 -0.802 1.00 4.41 C ATOM 365 CZ2 TRP A 21 -2.746 -2.403 0.320 1.00 3.01 C ATOM 366 CZ3 TRP A 21 -1.143 -2.271 -1.488 1.00 65.32 C ATOM 367 CH2 TRP A 21 -2.387 -1.953 -0.925 1.00 25.12 C ATOM 0 H TRP A 21 1.356 -7.154 2.691 1.00 61.32 H new ATOM 0 HA TRP A 21 0.913 -6.395 -0.122 1.00 61.42 H new ATOM 0 HB2 TRP A 21 1.986 -4.894 2.301 1.00 43.12 H new ATOM 0 HB3 TRP A 21 2.098 -4.256 0.673 1.00 43.12 H new ATOM 0 HD1 TRP A 21 -0.559 -5.022 3.405 1.00 11.42 H new ATOM 0 HE1 TRP A 21 -2.711 -3.692 2.879 1.00 62.33 H new ATOM 0 HE3 TRP A 21 0.725 -3.294 -1.240 1.00 4.41 H new ATOM 0 HZ2 TRP A 21 -3.705 -2.154 0.750 1.00 3.01 H new ATOM 0 HZ3 TRP A 21 -0.893 -1.900 -2.471 1.00 65.32 H new ATOM 0 HH2 TRP A 21 -3.078 -1.340 -1.484 1.00 25.12 H new ATOM 378 N SER A 22 3.719 -7.534 1.072 1.00 53.33 N ATOM 379 CA SER A 22 5.112 -7.958 0.680 1.00 22.45 C ATOM 380 C SER A 22 5.144 -8.693 -0.694 1.00 50.14 C ATOM 381 O SER A 22 6.192 -8.788 -1.344 1.00 73.32 O ATOM 382 CB SER A 22 5.738 -8.853 1.779 1.00 4.34 C ATOM 383 OG SER A 22 7.079 -9.214 1.476 1.00 41.52 O ATOM 0 H SER A 22 3.399 -7.922 1.959 1.00 53.33 H new ATOM 0 HA SER A 22 5.703 -7.048 0.576 1.00 22.45 H new ATOM 0 HB2 SER A 22 5.712 -8.326 2.733 1.00 4.34 H new ATOM 0 HB3 SER A 22 5.138 -9.755 1.896 1.00 4.34 H new ATOM 0 HG SER A 22 7.437 -9.776 2.194 1.00 41.52 H new ATOM 389 N ALA A 23 3.962 -9.180 -1.118 1.00 42.51 N ATOM 390 CA ALA A 23 3.729 -9.781 -2.450 1.00 21.11 C ATOM 391 C ALA A 23 4.164 -8.850 -3.621 1.00 63.22 C ATOM 392 O ALA A 23 4.712 -9.322 -4.620 1.00 44.22 O ATOM 393 CB ALA A 23 2.239 -10.138 -2.572 1.00 31.41 C ATOM 0 H ALA A 23 3.125 -9.168 -0.535 1.00 42.51 H new ATOM 0 HA ALA A 23 4.347 -10.675 -2.530 1.00 21.11 H new ATOM 0 HB1 ALA A 23 2.050 -10.583 -3.549 1.00 31.41 H new ATOM 0 HB2 ALA A 23 1.970 -10.850 -1.791 1.00 31.41 H new ATOM 0 HB3 ALA A 23 1.638 -9.235 -2.462 1.00 31.41 H new ATOM 399 N ILE A 24 3.959 -7.524 -3.457 1.00 23.10 N ATOM 400 CA ILE A 24 4.197 -6.524 -4.537 1.00 54.50 C ATOM 401 C ILE A 24 5.697 -6.359 -4.910 1.00 11.51 C ATOM 402 O ILE A 24 6.014 -5.795 -5.959 1.00 11.44 O ATOM 403 CB ILE A 24 3.550 -5.120 -4.189 1.00 21.22 C ATOM 404 CG1 ILE A 24 4.279 -4.441 -2.979 1.00 4.31 C ATOM 405 CG2 ILE A 24 2.029 -5.279 -3.929 1.00 3.11 C ATOM 406 CD1 ILE A 24 3.575 -3.239 -2.354 1.00 64.42 C ATOM 0 H ILE A 24 3.627 -7.114 -2.584 1.00 23.10 H new ATOM 0 HA ILE A 24 3.699 -6.927 -5.419 1.00 54.50 H new ATOM 0 HB ILE A 24 3.677 -4.459 -5.046 1.00 21.22 H new ATOM 0 HG12 ILE A 24 4.427 -5.192 -2.203 1.00 4.31 H new ATOM 0 HG13 ILE A 24 5.268 -4.125 -3.309 1.00 4.31 H new ATOM 0 HG21 ILE A 24 1.597 -4.307 -3.691 1.00 3.11 H new ATOM 0 HG22 ILE A 24 1.548 -5.682 -4.820 1.00 3.11 H new ATOM 0 HG23 ILE A 24 1.872 -5.960 -3.093 1.00 3.11 H new ATOM 0 HD11 ILE A 24 4.174 -2.855 -1.528 1.00 64.42 H new ATOM 0 HD12 ILE A 24 3.451 -2.459 -3.105 1.00 64.42 H new ATOM 0 HD13 ILE A 24 2.597 -3.543 -1.982 1.00 64.42 H new ATOM 418 N SER A 25 6.610 -6.876 -4.062 1.00 21.21 N ATOM 419 CA SER A 25 8.073 -6.818 -4.322 1.00 25.12 C ATOM 420 C SER A 25 8.482 -7.759 -5.481 1.00 54.05 C ATOM 421 O SER A 25 9.369 -7.437 -6.281 1.00 1.11 O ATOM 422 CB SER A 25 8.861 -7.178 -3.038 1.00 3.42 C ATOM 423 OG SER A 25 8.760 -8.561 -2.719 1.00 2.32 O ATOM 0 H SER A 25 6.364 -7.340 -3.188 1.00 21.21 H new ATOM 0 HA SER A 25 8.318 -5.798 -4.618 1.00 25.12 H new ATOM 0 HB2 SER A 25 9.910 -6.912 -3.170 1.00 3.42 H new ATOM 0 HB3 SER A 25 8.485 -6.585 -2.204 1.00 3.42 H new ATOM 0 HG SER A 25 7.917 -8.727 -2.248 1.00 2.32 H new ATOM 429 N THR A 26 7.816 -8.929 -5.557 1.00 42.43 N ATOM 430 CA THR A 26 8.080 -9.955 -6.595 1.00 32.42 C ATOM 431 C THR A 26 7.042 -9.885 -7.738 1.00 24.54 C ATOM 432 O THR A 26 5.914 -9.428 -7.522 1.00 52.12 O ATOM 433 CB THR A 26 8.053 -11.401 -5.996 1.00 60.24 C ATOM 434 OG1 THR A 26 6.772 -11.661 -5.398 1.00 71.45 O ATOM 435 CG2 THR A 26 9.174 -11.612 -4.964 1.00 15.55 C ATOM 0 H THR A 26 7.080 -9.192 -4.902 1.00 42.43 H new ATOM 0 HA THR A 26 9.074 -9.741 -6.988 1.00 32.42 H new ATOM 0 HB THR A 26 8.221 -12.103 -6.813 1.00 60.24 H new ATOM 0 HG1 THR A 26 6.762 -12.568 -5.027 1.00 71.45 H new ATOM 0 HG21 THR A 26 9.121 -12.628 -4.572 1.00 15.55 H new ATOM 0 HG22 THR A 26 10.142 -11.457 -5.441 1.00 15.55 H new ATOM 0 HG23 THR A 26 9.055 -10.901 -4.147 1.00 15.55 H new ATOM 443 N PRO A 27 7.421 -10.332 -8.985 1.00 51.12 N ATOM 444 CA PRO A 27 6.462 -10.510 -10.107 1.00 63.11 C ATOM 445 C PRO A 27 5.291 -11.465 -9.735 1.00 0.21 C ATOM 446 O PRO A 27 4.138 -11.038 -9.668 1.00 41.14 O ATOM 447 CB PRO A 27 7.347 -11.093 -11.257 1.00 25.41 C ATOM 448 CG PRO A 27 8.585 -11.590 -10.571 1.00 2.02 C ATOM 449 CD PRO A 27 8.812 -10.638 -9.428 1.00 74.04 C ATOM 0 HA PRO A 27 5.969 -9.578 -10.385 1.00 63.11 H new ATOM 0 HB2 PRO A 27 6.834 -11.899 -11.781 1.00 25.41 H new ATOM 0 HB3 PRO A 27 7.584 -10.331 -11.999 1.00 25.41 H new ATOM 0 HG2 PRO A 27 8.454 -12.611 -10.213 1.00 2.02 H new ATOM 0 HG3 PRO A 27 9.436 -11.598 -11.252 1.00 2.02 H new ATOM 0 HD2 PRO A 27 9.401 -11.093 -8.632 1.00 74.04 H new ATOM 0 HD3 PRO A 27 9.344 -9.741 -9.746 1.00 74.04 H new ATOM 457 N THR A 28 5.616 -12.746 -9.450 1.00 74.35 N ATOM 458 CA THR A 28 4.622 -13.794 -9.091 1.00 31.23 C ATOM 459 C THR A 28 3.679 -13.376 -7.919 1.00 41.11 C ATOM 460 O THR A 28 2.498 -13.740 -7.908 1.00 44.42 O ATOM 461 CB THR A 28 5.340 -15.145 -8.751 1.00 11.14 C ATOM 462 OG1 THR A 28 4.377 -16.164 -8.427 1.00 25.11 O ATOM 463 CG2 THR A 28 6.353 -15.003 -7.592 1.00 12.24 C ATOM 0 H THR A 28 6.577 -13.088 -9.461 1.00 74.35 H new ATOM 0 HA THR A 28 3.991 -13.927 -9.970 1.00 31.23 H new ATOM 0 HB THR A 28 5.896 -15.434 -9.643 1.00 11.14 H new ATOM 0 HG1 THR A 28 4.843 -17.001 -8.219 1.00 25.11 H new ATOM 0 HG21 THR A 28 6.821 -15.968 -7.398 1.00 12.24 H new ATOM 0 HG22 THR A 28 7.118 -14.276 -7.865 1.00 12.24 H new ATOM 0 HG23 THR A 28 5.834 -14.664 -6.695 1.00 12.24 H new ATOM 471 N GLY A 29 4.211 -12.580 -6.969 1.00 31.42 N ATOM 472 CA GLY A 29 3.421 -12.074 -5.838 1.00 45.00 C ATOM 473 C GLY A 29 2.476 -10.918 -6.209 1.00 3.24 C ATOM 474 O GLY A 29 1.362 -10.841 -5.695 1.00 44.02 O ATOM 0 H GLY A 29 5.185 -12.276 -6.967 1.00 31.42 H new ATOM 0 HA2 GLY A 29 2.833 -12.892 -5.422 1.00 45.00 H new ATOM 0 HA3 GLY A 29 4.100 -11.739 -5.054 1.00 45.00 H new ATOM 478 N LEU A 30 2.940 -10.004 -7.073 1.00 34.22 N ATOM 479 CA LEU A 30 2.124 -8.853 -7.554 1.00 41.20 C ATOM 480 C LEU A 30 0.920 -9.338 -8.408 1.00 21.14 C ATOM 481 O LEU A 30 -0.227 -8.972 -8.134 1.00 30.32 O ATOM 482 CB LEU A 30 3.016 -7.835 -8.350 1.00 22.11 C ATOM 483 CG LEU A 30 2.895 -6.331 -7.936 1.00 73.12 C ATOM 484 CD1 LEU A 30 3.999 -5.474 -8.588 1.00 52.15 C ATOM 485 CD2 LEU A 30 1.495 -5.762 -8.240 1.00 20.24 C ATOM 0 H LEU A 30 3.882 -10.031 -7.462 1.00 34.22 H new ATOM 0 HA LEU A 30 1.720 -8.336 -6.684 1.00 41.20 H new ATOM 0 HB2 LEU A 30 4.058 -8.136 -8.241 1.00 22.11 H new ATOM 0 HB3 LEU A 30 2.769 -7.919 -9.408 1.00 22.11 H new ATOM 0 HG LEU A 30 3.035 -6.287 -6.856 1.00 73.12 H new ATOM 0 HD11 LEU A 30 3.884 -4.435 -8.278 1.00 52.15 H new ATOM 0 HD12 LEU A 30 4.977 -5.840 -8.274 1.00 52.15 H new ATOM 0 HD13 LEU A 30 3.918 -5.540 -9.673 1.00 52.15 H new ATOM 0 HD21 LEU A 30 1.454 -4.716 -7.937 1.00 20.24 H new ATOM 0 HD22 LEU A 30 1.295 -5.839 -9.309 1.00 20.24 H new ATOM 0 HD23 LEU A 30 0.744 -6.329 -7.689 1.00 20.24 H new ATOM 497 N GLU A 31 1.192 -10.196 -9.416 1.00 64.52 N ATOM 498 CA GLU A 31 0.137 -10.750 -10.310 1.00 13.23 C ATOM 499 C GLU A 31 -0.837 -11.701 -9.569 1.00 3.02 C ATOM 500 O GLU A 31 -1.915 -12.004 -10.082 1.00 54.31 O ATOM 501 CB GLU A 31 0.755 -11.479 -11.530 1.00 32.52 C ATOM 502 CG GLU A 31 1.622 -12.695 -11.167 1.00 71.34 C ATOM 503 CD GLU A 31 2.199 -13.405 -12.392 1.00 33.52 C ATOM 504 OE1 GLU A 31 3.043 -12.807 -13.091 1.00 20.45 O ATOM 505 OE2 GLU A 31 1.804 -14.554 -12.678 1.00 1.32 O ATOM 0 H GLU A 31 2.133 -10.524 -9.635 1.00 64.52 H new ATOM 0 HA GLU A 31 -0.439 -9.893 -10.660 1.00 13.23 H new ATOM 0 HB2 GLU A 31 -0.049 -11.805 -12.190 1.00 32.52 H new ATOM 0 HB3 GLU A 31 1.362 -10.770 -12.093 1.00 32.52 H new ATOM 0 HG2 GLU A 31 2.440 -12.372 -10.523 1.00 71.34 H new ATOM 0 HG3 GLU A 31 1.024 -13.402 -10.592 1.00 71.34 H new ATOM 512 N ASP A 32 -0.442 -12.162 -8.365 1.00 73.01 N ATOM 513 CA ASP A 32 -1.291 -12.995 -7.480 1.00 72.22 C ATOM 514 C ASP A 32 -2.629 -12.272 -7.124 1.00 42.41 C ATOM 515 O ASP A 32 -3.650 -12.921 -6.872 1.00 41.15 O ATOM 516 CB ASP A 32 -0.487 -13.332 -6.196 1.00 72.25 C ATOM 517 CG ASP A 32 -1.160 -14.369 -5.280 1.00 75.42 C ATOM 518 OD1 ASP A 32 -2.046 -14.000 -4.483 1.00 52.31 O ATOM 519 OD2 ASP A 32 -0.798 -15.564 -5.346 1.00 31.41 O ATOM 0 H ASP A 32 0.480 -11.967 -7.974 1.00 73.01 H new ATOM 0 HA ASP A 32 -1.557 -13.914 -8.002 1.00 72.22 H new ATOM 0 HB2 ASP A 32 0.496 -13.704 -6.484 1.00 72.25 H new ATOM 0 HB3 ASP A 32 -0.328 -12.414 -5.630 1.00 72.25 H new ATOM 524 N TRP A 33 -2.606 -10.922 -7.127 1.00 71.03 N ATOM 525 CA TRP A 33 -3.778 -10.091 -6.762 1.00 20.11 C ATOM 526 C TRP A 33 -3.839 -8.757 -7.560 1.00 10.30 C ATOM 527 O TRP A 33 -4.637 -7.873 -7.229 1.00 74.24 O ATOM 528 CB TRP A 33 -3.782 -9.845 -5.222 1.00 2.21 C ATOM 529 CG TRP A 33 -2.592 -9.074 -4.661 1.00 50.42 C ATOM 530 CD1 TRP A 33 -1.262 -9.243 -4.950 1.00 24.02 C ATOM 531 CD2 TRP A 33 -2.643 -8.043 -3.666 1.00 44.43 C ATOM 532 NE1 TRP A 33 -0.500 -8.367 -4.225 1.00 63.34 N ATOM 533 CE2 TRP A 33 -1.323 -7.621 -3.425 1.00 54.44 C ATOM 534 CE3 TRP A 33 -3.684 -7.436 -2.965 1.00 73.13 C ATOM 535 CZ2 TRP A 33 -1.021 -6.619 -2.509 1.00 31.52 C ATOM 536 CZ3 TRP A 33 -3.385 -6.440 -2.059 1.00 54.05 C ATOM 537 CH2 TRP A 33 -2.062 -6.038 -1.838 1.00 30.35 C ATOM 0 H TRP A 33 -1.781 -10.378 -7.380 1.00 71.03 H new ATOM 0 HA TRP A 33 -4.680 -10.638 -7.037 1.00 20.11 H new ATOM 0 HB2 TRP A 33 -4.693 -9.305 -4.964 1.00 2.21 H new ATOM 0 HB3 TRP A 33 -3.831 -10.812 -4.721 1.00 2.21 H new ATOM 0 HD1 TRP A 33 -0.871 -9.966 -5.651 1.00 24.02 H new ATOM 0 HE1 TRP A 33 0.515 -8.284 -4.273 1.00 63.34 H new ATOM 0 HE3 TRP A 33 -4.707 -7.741 -3.129 1.00 73.13 H new ATOM 0 HZ2 TRP A 33 -0.001 -6.311 -2.334 1.00 31.52 H new ATOM 0 HZ3 TRP A 33 -4.184 -5.963 -1.511 1.00 54.05 H new ATOM 0 HH2 TRP A 33 -1.859 -5.254 -1.124 1.00 30.35 H new ATOM 548 N PHE A 34 -3.025 -8.633 -8.632 1.00 2.33 N ATOM 549 CA PHE A 34 -3.011 -7.428 -9.501 1.00 11.44 C ATOM 550 C PHE A 34 -2.542 -7.791 -10.932 1.00 2.14 C ATOM 551 O PHE A 34 -1.365 -8.090 -11.127 1.00 3.52 O ATOM 552 CB PHE A 34 -2.084 -6.338 -8.889 1.00 44.41 C ATOM 553 CG PHE A 34 -2.263 -4.941 -9.497 1.00 2.12 C ATOM 554 CD1 PHE A 34 -3.384 -4.168 -9.187 1.00 15.11 C ATOM 555 CD2 PHE A 34 -1.318 -4.399 -10.373 1.00 65.30 C ATOM 556 CE1 PHE A 34 -3.552 -2.907 -9.731 1.00 42.21 C ATOM 557 CE2 PHE A 34 -1.490 -3.138 -10.916 1.00 53.21 C ATOM 558 CZ PHE A 34 -2.605 -2.392 -10.593 1.00 44.40 C ATOM 0 H PHE A 34 -2.365 -9.355 -8.920 1.00 2.33 H new ATOM 0 HA PHE A 34 -4.026 -7.034 -9.563 1.00 11.44 H new ATOM 0 HB2 PHE A 34 -2.269 -6.281 -7.816 1.00 44.41 H new ATOM 0 HB3 PHE A 34 -1.047 -6.647 -9.017 1.00 44.41 H new ATOM 0 HD1 PHE A 34 -4.131 -4.560 -8.513 1.00 15.11 H new ATOM 0 HD2 PHE A 34 -0.440 -4.973 -10.630 1.00 65.30 H new ATOM 0 HE1 PHE A 34 -4.426 -2.324 -9.481 1.00 42.21 H new ATOM 0 HE2 PHE A 34 -0.751 -2.737 -11.594 1.00 53.21 H new ATOM 0 HZ PHE A 34 -2.737 -1.406 -11.014 1.00 44.40 H new ATOM 568 N ALA A 35 -3.480 -7.750 -11.913 1.00 34.15 N ATOM 569 CA ALA A 35 -3.235 -8.092 -13.345 1.00 72.32 C ATOM 570 C ALA A 35 -3.028 -9.616 -13.584 1.00 24.45 C ATOM 571 O ALA A 35 -2.804 -10.394 -12.648 1.00 54.21 O ATOM 572 CB ALA A 35 -2.079 -7.266 -13.958 1.00 35.01 C ATOM 0 H ALA A 35 -4.445 -7.474 -11.732 1.00 34.15 H new ATOM 0 HA ALA A 35 -4.150 -7.816 -13.869 1.00 72.32 H new ATOM 0 HB1 ALA A 35 -1.941 -7.552 -15.001 1.00 35.01 H new ATOM 0 HB2 ALA A 35 -2.321 -6.205 -13.902 1.00 35.01 H new ATOM 0 HB3 ALA A 35 -1.160 -7.459 -13.404 1.00 35.01 H new ATOM 578 N ASP A 36 -3.130 -10.018 -14.865 1.00 20.33 N ATOM 579 CA ASP A 36 -3.013 -11.430 -15.306 1.00 62.13 C ATOM 580 C ASP A 36 -1.557 -11.940 -15.232 1.00 20.11 C ATOM 581 O ASP A 36 -1.282 -13.047 -14.759 1.00 62.21 O ATOM 582 CB ASP A 36 -3.524 -11.549 -16.761 1.00 62.34 C ATOM 583 CG ASP A 36 -4.999 -11.149 -16.897 1.00 42.14 C ATOM 584 OD1 ASP A 36 -5.287 -9.939 -17.011 1.00 32.23 O ATOM 585 OD2 ASP A 36 -5.877 -12.042 -16.876 1.00 44.40 O ATOM 0 H ASP A 36 -3.298 -9.369 -15.634 1.00 20.33 H new ATOM 0 HA ASP A 36 -3.614 -12.043 -14.635 1.00 62.13 H new ATOM 0 HB2 ASP A 36 -2.918 -10.916 -17.409 1.00 62.34 H new ATOM 0 HB3 ASP A 36 -3.395 -12.575 -17.106 1.00 62.34 H new ATOM 590 N LYS A 37 -0.642 -11.113 -15.729 1.00 51.54 N ATOM 591 CA LYS A 37 0.795 -11.411 -15.780 1.00 71.51 C ATOM 592 C LYS A 37 1.571 -10.119 -15.593 1.00 73.50 C ATOM 593 O LYS A 37 1.350 -9.168 -16.328 1.00 34.23 O ATOM 594 CB LYS A 37 1.159 -12.064 -17.147 1.00 41.22 C ATOM 595 CG LYS A 37 2.677 -12.197 -17.462 1.00 41.05 C ATOM 596 CD LYS A 37 3.506 -13.012 -16.429 1.00 72.34 C ATOM 597 CE LYS A 37 3.108 -14.501 -16.317 1.00 23.41 C ATOM 598 NZ LYS A 37 1.850 -14.710 -15.552 1.00 72.32 N ATOM 0 H LYS A 37 -0.878 -10.199 -16.116 1.00 51.54 H new ATOM 0 HA LYS A 37 1.053 -12.111 -14.986 1.00 71.51 H new ATOM 0 HB2 LYS A 37 0.714 -13.058 -17.181 1.00 41.22 H new ATOM 0 HB3 LYS A 37 0.694 -11.479 -17.941 1.00 41.22 H new ATOM 0 HG2 LYS A 37 2.788 -12.664 -18.440 1.00 41.05 H new ATOM 0 HG3 LYS A 37 3.104 -11.197 -17.536 1.00 41.05 H new ATOM 0 HD2 LYS A 37 4.560 -12.950 -16.699 1.00 72.34 H new ATOM 0 HD3 LYS A 37 3.400 -12.546 -15.449 1.00 72.34 H new ATOM 0 HE2 LYS A 37 2.991 -14.917 -17.318 1.00 23.41 H new ATOM 0 HE3 LYS A 37 3.916 -15.052 -15.835 1.00 23.41 H new ATOM 0 HZ1 LYS A 37 1.916 -15.595 -15.010 1.00 72.32 H new ATOM 0 HZ2 LYS A 37 1.704 -13.914 -14.899 1.00 72.32 H new ATOM 0 HZ3 LYS A 37 1.048 -14.768 -16.212 1.00 72.32 H new ATOM 612 N VAL A 38 2.481 -10.072 -14.619 1.00 53.41 N ATOM 613 CA VAL A 38 3.350 -8.905 -14.420 1.00 14.20 C ATOM 614 C VAL A 38 4.827 -9.317 -14.621 1.00 63.02 C ATOM 615 O VAL A 38 5.355 -10.190 -13.924 1.00 12.33 O ATOM 616 CB VAL A 38 3.097 -8.179 -13.035 1.00 14.24 C ATOM 617 CG1 VAL A 38 1.596 -7.852 -12.841 1.00 10.42 C ATOM 618 CG2 VAL A 38 3.624 -8.973 -11.832 1.00 42.10 C ATOM 0 H VAL A 38 2.638 -10.829 -13.953 1.00 53.41 H new ATOM 0 HA VAL A 38 3.098 -8.159 -15.174 1.00 14.20 H new ATOM 0 HB VAL A 38 3.664 -7.249 -13.077 1.00 14.24 H new ATOM 0 HG11 VAL A 38 1.453 -7.354 -11.882 1.00 10.42 H new ATOM 0 HG12 VAL A 38 1.260 -7.196 -13.644 1.00 10.42 H new ATOM 0 HG13 VAL A 38 1.017 -8.775 -12.860 1.00 10.42 H new ATOM 0 HG21 VAL A 38 3.419 -8.422 -10.914 1.00 42.10 H new ATOM 0 HG22 VAL A 38 3.128 -9.943 -11.791 1.00 42.10 H new ATOM 0 HG23 VAL A 38 4.699 -9.119 -11.935 1.00 42.10 H new ATOM 628 N VAL A 39 5.472 -8.742 -15.647 1.00 63.55 N ATOM 629 CA VAL A 39 6.887 -9.017 -15.948 1.00 63.30 C ATOM 630 C VAL A 39 7.765 -7.890 -15.375 1.00 74.44 C ATOM 631 O VAL A 39 7.713 -6.744 -15.835 1.00 14.44 O ATOM 632 CB VAL A 39 7.112 -9.171 -17.501 1.00 12.32 C ATOM 633 CG1 VAL A 39 8.601 -9.458 -17.855 1.00 75.13 C ATOM 634 CG2 VAL A 39 6.180 -10.269 -18.080 1.00 40.41 C ATOM 0 H VAL A 39 5.034 -8.079 -16.287 1.00 63.55 H new ATOM 0 HA VAL A 39 7.171 -9.959 -15.480 1.00 63.30 H new ATOM 0 HB VAL A 39 6.856 -8.217 -17.963 1.00 12.32 H new ATOM 0 HG11 VAL A 39 8.706 -9.556 -18.936 1.00 75.13 H new ATOM 0 HG12 VAL A 39 9.224 -8.635 -17.503 1.00 75.13 H new ATOM 0 HG13 VAL A 39 8.917 -10.384 -17.374 1.00 75.13 H new ATOM 0 HG21 VAL A 39 6.349 -10.361 -19.153 1.00 40.41 H new ATOM 0 HG22 VAL A 39 6.395 -11.221 -17.595 1.00 40.41 H new ATOM 0 HG23 VAL A 39 5.140 -9.996 -17.899 1.00 40.41 H new ATOM 644 N SER A 40 8.586 -8.240 -14.378 1.00 64.12 N ATOM 645 CA SER A 40 9.500 -7.304 -13.708 1.00 52.20 C ATOM 646 C SER A 40 10.805 -7.171 -14.515 1.00 33.25 C ATOM 647 O SER A 40 11.561 -8.138 -14.643 1.00 33.34 O ATOM 648 CB SER A 40 9.790 -7.784 -12.267 1.00 60.32 C ATOM 649 OG SER A 40 10.309 -9.113 -12.239 1.00 53.34 O ATOM 0 H SER A 40 8.636 -9.190 -14.009 1.00 64.12 H new ATOM 0 HA SER A 40 9.029 -6.322 -13.653 1.00 52.20 H new ATOM 0 HB2 SER A 40 10.503 -7.107 -11.796 1.00 60.32 H new ATOM 0 HB3 SER A 40 8.873 -7.741 -11.679 1.00 60.32 H new ATOM 0 HG SER A 40 10.829 -9.278 -13.053 1.00 53.34 H new ATOM 655 N ASP A 41 11.026 -5.976 -15.085 1.00 3.42 N ATOM 656 CA ASP A 41 12.225 -5.636 -15.878 1.00 54.21 C ATOM 657 C ASP A 41 13.516 -5.900 -15.061 1.00 61.40 C ATOM 658 O ASP A 41 14.278 -6.831 -15.361 1.00 0.32 O ATOM 659 CB ASP A 41 12.141 -4.143 -16.318 1.00 71.14 C ATOM 660 CG ASP A 41 10.856 -3.815 -17.102 1.00 64.24 C ATOM 661 OD1 ASP A 41 9.771 -3.688 -16.477 1.00 14.31 O ATOM 662 OD2 ASP A 41 10.911 -3.709 -18.344 1.00 40.10 O ATOM 0 H ASP A 41 10.366 -5.202 -15.008 1.00 3.42 H new ATOM 0 HA ASP A 41 12.262 -6.269 -16.765 1.00 54.21 H new ATOM 0 HB2 ASP A 41 12.193 -3.507 -15.435 1.00 71.14 H new ATOM 0 HB3 ASP A 41 13.007 -3.903 -16.935 1.00 71.14 H new ATOM 667 N ASP A 42 13.696 -5.090 -13.994 1.00 1.31 N ATOM 668 CA ASP A 42 14.823 -5.188 -13.038 1.00 45.24 C ATOM 669 C ASP A 42 14.647 -4.132 -11.916 1.00 73.43 C ATOM 670 O ASP A 42 14.789 -4.425 -10.722 1.00 72.13 O ATOM 671 CB ASP A 42 16.207 -5.028 -13.755 1.00 75.43 C ATOM 672 CG ASP A 42 16.391 -3.673 -14.476 1.00 40.00 C ATOM 673 OD1 ASP A 42 15.681 -3.414 -15.470 1.00 1.24 O ATOM 674 OD2 ASP A 42 17.228 -2.859 -14.043 1.00 61.24 O ATOM 0 H ASP A 42 13.049 -4.334 -13.768 1.00 1.31 H new ATOM 0 HA ASP A 42 14.813 -6.183 -12.593 1.00 45.24 H new ATOM 0 HB2 ASP A 42 17.002 -5.146 -13.018 1.00 75.43 H new ATOM 0 HB3 ASP A 42 16.323 -5.833 -14.481 1.00 75.43 H new ATOM 679 N LYS A 43 14.313 -2.904 -12.346 1.00 53.32 N ATOM 680 CA LYS A 43 14.023 -1.738 -11.471 1.00 22.30 C ATOM 681 C LYS A 43 12.579 -1.224 -11.698 1.00 20.22 C ATOM 682 O LYS A 43 12.189 -0.173 -11.187 1.00 22.32 O ATOM 683 CB LYS A 43 15.061 -0.625 -11.772 1.00 14.23 C ATOM 684 CG LYS A 43 15.143 -0.215 -13.263 1.00 24.41 C ATOM 685 CD LYS A 43 16.316 0.747 -13.557 1.00 62.33 C ATOM 686 CE LYS A 43 16.464 1.048 -15.059 1.00 54.25 C ATOM 687 NZ LYS A 43 17.589 1.981 -15.333 1.00 12.11 N ATOM 0 H LYS A 43 14.233 -2.681 -13.338 1.00 53.32 H new ATOM 0 HA LYS A 43 14.099 -2.036 -10.425 1.00 22.30 H new ATOM 0 HB2 LYS A 43 14.814 0.255 -11.178 1.00 14.23 H new ATOM 0 HB3 LYS A 43 16.044 -0.964 -11.446 1.00 14.23 H new ATOM 0 HG2 LYS A 43 15.251 -1.110 -13.876 1.00 24.41 H new ATOM 0 HG3 LYS A 43 14.207 0.261 -13.556 1.00 24.41 H new ATOM 0 HD2 LYS A 43 16.162 1.680 -13.015 1.00 62.33 H new ATOM 0 HD3 LYS A 43 17.243 0.311 -13.183 1.00 62.33 H new ATOM 0 HE2 LYS A 43 16.626 0.116 -15.601 1.00 54.25 H new ATOM 0 HE3 LYS A 43 15.536 1.479 -15.435 1.00 54.25 H new ATOM 0 HZ1 LYS A 43 17.653 2.157 -16.356 1.00 12.11 H new ATOM 0 HZ2 LYS A 43 17.423 2.880 -14.837 1.00 12.11 H new ATOM 0 HZ3 LYS A 43 18.479 1.560 -14.998 1.00 12.11 H new ATOM 701 N THR A 44 11.796 -1.999 -12.468 1.00 11.33 N ATOM 702 CA THR A 44 10.421 -1.648 -12.901 1.00 74.14 C ATOM 703 C THR A 44 9.585 -2.941 -13.051 1.00 42.32 C ATOM 704 O THR A 44 10.141 -3.995 -13.349 1.00 51.42 O ATOM 705 CB THR A 44 10.453 -0.849 -14.263 1.00 33.24 C ATOM 706 OG1 THR A 44 11.196 0.373 -14.099 1.00 51.53 O ATOM 707 CG2 THR A 44 9.050 -0.502 -14.794 1.00 62.32 C ATOM 0 H THR A 44 12.102 -2.907 -12.817 1.00 11.33 H new ATOM 0 HA THR A 44 9.962 -1.008 -12.147 1.00 74.14 H new ATOM 0 HB THR A 44 10.932 -1.504 -14.991 1.00 33.24 H new ATOM 0 HG1 THR A 44 11.213 0.862 -14.948 1.00 51.53 H new ATOM 0 HG21 THR A 44 9.141 0.046 -15.732 1.00 62.32 H new ATOM 0 HG22 THR A 44 8.488 -1.420 -14.964 1.00 62.32 H new ATOM 0 HG23 THR A 44 8.526 0.114 -14.063 1.00 62.32 H new ATOM 715 N VAL A 45 8.259 -2.869 -12.801 1.00 73.13 N ATOM 716 CA VAL A 45 7.323 -4.009 -13.005 1.00 21.45 C ATOM 717 C VAL A 45 6.237 -3.630 -14.046 1.00 12.51 C ATOM 718 O VAL A 45 5.589 -2.591 -13.911 1.00 62.11 O ATOM 719 CB VAL A 45 6.627 -4.450 -11.657 1.00 4.21 C ATOM 720 CG1 VAL A 45 5.738 -5.703 -11.875 1.00 33.03 C ATOM 721 CG2 VAL A 45 7.667 -4.696 -10.531 1.00 3.45 C ATOM 0 H VAL A 45 7.804 -2.025 -12.453 1.00 73.13 H new ATOM 0 HA VAL A 45 7.912 -4.850 -13.372 1.00 21.45 H new ATOM 0 HB VAL A 45 5.985 -3.630 -11.336 1.00 4.21 H new ATOM 0 HG11 VAL A 45 5.270 -5.986 -10.932 1.00 33.03 H new ATOM 0 HG12 VAL A 45 4.965 -5.477 -12.610 1.00 33.03 H new ATOM 0 HG13 VAL A 45 6.353 -6.527 -12.237 1.00 33.03 H new ATOM 0 HG21 VAL A 45 7.152 -4.998 -9.619 1.00 3.45 H new ATOM 0 HG22 VAL A 45 8.355 -5.484 -10.837 1.00 3.45 H new ATOM 0 HG23 VAL A 45 8.226 -3.779 -10.345 1.00 3.45 H new ATOM 731 N THR A 46 6.033 -4.492 -15.058 1.00 21.23 N ATOM 732 CA THR A 46 5.062 -4.249 -16.150 1.00 51.23 C ATOM 733 C THR A 46 3.793 -5.110 -15.968 1.00 12.40 C ATOM 734 O THR A 46 3.838 -6.324 -16.132 1.00 35.40 O ATOM 735 CB THR A 46 5.688 -4.565 -17.548 1.00 63.43 C ATOM 736 OG1 THR A 46 6.926 -3.845 -17.698 1.00 44.43 O ATOM 737 CG2 THR A 46 4.727 -4.198 -18.702 1.00 1.43 C ATOM 0 H THR A 46 6.534 -5.376 -15.146 1.00 21.23 H new ATOM 0 HA THR A 46 4.795 -3.193 -16.106 1.00 51.23 H new ATOM 0 HB THR A 46 5.873 -5.638 -17.597 1.00 63.43 H new ATOM 0 HG1 THR A 46 7.585 -4.192 -17.061 1.00 44.43 H new ATOM 0 HG21 THR A 46 5.198 -4.432 -19.656 1.00 1.43 H new ATOM 0 HG22 THR A 46 3.804 -4.770 -18.603 1.00 1.43 H new ATOM 0 HG23 THR A 46 4.500 -3.133 -18.661 1.00 1.43 H new ATOM 745 N PHE A 47 2.671 -4.454 -15.663 1.00 15.13 N ATOM 746 CA PHE A 47 1.360 -5.100 -15.458 1.00 52.41 C ATOM 747 C PHE A 47 0.672 -5.347 -16.815 1.00 2.33 C ATOM 748 O PHE A 47 0.128 -4.421 -17.409 1.00 11.34 O ATOM 749 CB PHE A 47 0.469 -4.197 -14.560 1.00 51.21 C ATOM 750 CG PHE A 47 1.234 -3.535 -13.420 1.00 11.32 C ATOM 751 CD1 PHE A 47 1.680 -4.282 -12.339 1.00 22.15 C ATOM 752 CD2 PHE A 47 1.526 -2.173 -13.442 1.00 31.33 C ATOM 753 CE1 PHE A 47 2.387 -3.692 -11.315 1.00 51.23 C ATOM 754 CE2 PHE A 47 2.233 -1.583 -12.413 1.00 72.15 C ATOM 755 CZ PHE A 47 2.663 -2.344 -11.347 1.00 52.35 C ATOM 0 H PHE A 47 2.641 -3.441 -15.548 1.00 15.13 H new ATOM 0 HA PHE A 47 1.507 -6.060 -14.964 1.00 52.41 H new ATOM 0 HB2 PHE A 47 0.010 -3.424 -15.176 1.00 51.21 H new ATOM 0 HB3 PHE A 47 -0.341 -4.797 -14.144 1.00 51.21 H new ATOM 0 HD1 PHE A 47 1.470 -5.341 -12.300 1.00 22.15 H new ATOM 0 HD2 PHE A 47 1.195 -1.571 -14.275 1.00 31.33 H new ATOM 0 HE1 PHE A 47 2.727 -4.290 -10.482 1.00 51.23 H new ATOM 0 HE2 PHE A 47 2.449 -0.525 -12.443 1.00 72.15 H new ATOM 0 HZ PHE A 47 3.214 -1.884 -10.540 1.00 52.35 H new ATOM 765 N CYS A 48 0.746 -6.585 -17.308 1.00 4.44 N ATOM 766 CA CYS A 48 0.138 -6.989 -18.601 1.00 74.34 C ATOM 767 C CYS A 48 -1.269 -7.602 -18.402 1.00 11.04 C ATOM 768 O CYS A 48 -1.460 -8.521 -17.593 1.00 11.54 O ATOM 769 CB CYS A 48 1.046 -7.997 -19.344 1.00 60.44 C ATOM 770 SG CYS A 48 0.382 -8.581 -20.927 1.00 73.44 S ATOM 0 H CYS A 48 1.228 -7.346 -16.829 1.00 4.44 H new ATOM 0 HA CYS A 48 0.036 -6.087 -19.205 1.00 74.34 H new ATOM 0 HB2 CYS A 48 2.016 -7.532 -19.521 1.00 60.44 H new ATOM 0 HB3 CYS A 48 1.218 -8.857 -18.697 1.00 60.44 H new ATOM 0 HG CYS A 48 1.219 -9.417 -21.467 1.00 73.44 H new ATOM 776 N TRP A 49 -2.248 -7.050 -19.133 1.00 15.24 N ATOM 777 CA TRP A 49 -3.633 -7.568 -19.206 1.00 73.21 C ATOM 778 C TRP A 49 -3.889 -8.202 -20.595 1.00 41.53 C ATOM 779 O TRP A 49 -4.438 -9.305 -20.698 1.00 12.24 O ATOM 780 CB TRP A 49 -4.642 -6.416 -18.936 1.00 12.13 C ATOM 781 CG TRP A 49 -4.534 -5.829 -17.541 1.00 51.44 C ATOM 782 CD1 TRP A 49 -5.098 -6.327 -16.398 1.00 11.32 C ATOM 783 CD2 TRP A 49 -3.814 -4.644 -17.142 1.00 33.23 C ATOM 784 NE1 TRP A 49 -4.775 -5.534 -15.327 1.00 53.05 N ATOM 785 CE2 TRP A 49 -3.992 -4.497 -15.754 1.00 13.04 C ATOM 786 CE3 TRP A 49 -3.040 -3.700 -17.822 1.00 22.12 C ATOM 787 CZ2 TRP A 49 -3.423 -3.449 -15.033 1.00 33.44 C ATOM 788 CZ3 TRP A 49 -2.479 -2.656 -17.109 1.00 70.14 C ATOM 789 CH2 TRP A 49 -2.673 -2.537 -15.725 1.00 22.34 C ATOM 0 H TRP A 49 -2.103 -6.216 -19.702 1.00 15.24 H new ATOM 0 HA TRP A 49 -3.770 -8.337 -18.445 1.00 73.21 H new ATOM 0 HB2 TRP A 49 -4.481 -5.624 -19.668 1.00 12.13 H new ATOM 0 HB3 TRP A 49 -5.655 -6.789 -19.087 1.00 12.13 H new ATOM 0 HD1 TRP A 49 -5.709 -7.216 -16.347 1.00 11.32 H new ATOM 0 HE1 TRP A 49 -5.072 -5.692 -14.364 1.00 53.05 H new ATOM 0 HE3 TRP A 49 -2.882 -3.784 -18.887 1.00 22.12 H new ATOM 0 HZ2 TRP A 49 -3.569 -3.360 -13.967 1.00 33.44 H new ATOM 0 HZ3 TRP A 49 -1.882 -1.920 -17.627 1.00 70.14 H new ATOM 0 HH2 TRP A 49 -2.222 -1.711 -15.196 1.00 22.34 H new ATOM 800 N GLY A 50 -3.459 -7.493 -21.661 1.00 34.24 N ATOM 801 CA GLY A 50 -3.608 -7.974 -23.047 1.00 53.14 C ATOM 802 C GLY A 50 -2.535 -7.427 -24.001 1.00 12.40 C ATOM 803 O GLY A 50 -1.541 -6.836 -23.555 1.00 2.44 O ATOM 0 H GLY A 50 -3.005 -6.583 -21.585 1.00 34.24 H new ATOM 0 HA2 GLY A 50 -3.567 -9.063 -23.052 1.00 53.14 H new ATOM 0 HA3 GLY A 50 -4.593 -7.690 -23.418 1.00 53.14 H new ATOM 807 N LYS A 51 -2.740 -7.646 -25.321 1.00 45.42 N ATOM 808 CA LYS A 51 -1.844 -7.144 -26.398 1.00 50.52 C ATOM 809 C LYS A 51 -1.791 -5.598 -26.385 1.00 74.53 C ATOM 810 O LYS A 51 -2.813 -4.949 -26.650 1.00 24.40 O ATOM 811 CB LYS A 51 -2.352 -7.634 -27.786 1.00 65.12 C ATOM 812 CG LYS A 51 -2.464 -9.170 -27.942 1.00 63.22 C ATOM 813 CD LYS A 51 -3.072 -9.584 -29.308 1.00 51.33 C ATOM 814 CE LYS A 51 -4.521 -9.092 -29.487 1.00 65.02 C ATOM 815 NZ LYS A 51 -5.061 -9.415 -30.828 1.00 34.05 N ATOM 0 H LYS A 51 -3.535 -8.178 -25.674 1.00 45.42 H new ATOM 0 HA LYS A 51 -0.842 -7.533 -26.219 1.00 50.52 H new ATOM 0 HB2 LYS A 51 -3.331 -7.194 -27.973 1.00 65.12 H new ATOM 0 HB3 LYS A 51 -1.680 -7.255 -28.556 1.00 65.12 H new ATOM 0 HG2 LYS A 51 -1.475 -9.616 -27.838 1.00 63.22 H new ATOM 0 HG3 LYS A 51 -3.080 -9.570 -27.137 1.00 63.22 H new ATOM 0 HD2 LYS A 51 -2.455 -9.184 -30.112 1.00 51.33 H new ATOM 0 HD3 LYS A 51 -3.048 -10.670 -29.398 1.00 51.33 H new ATOM 0 HE2 LYS A 51 -5.154 -9.545 -28.724 1.00 65.02 H new ATOM 0 HE3 LYS A 51 -4.558 -8.014 -29.332 1.00 65.02 H new ATOM 0 HZ1 LYS A 51 -6.038 -9.065 -30.903 1.00 34.05 H new ATOM 0 HZ2 LYS A 51 -4.474 -8.961 -31.557 1.00 34.05 H new ATOM 0 HZ3 LYS A 51 -5.051 -10.446 -30.967 1.00 34.05 H new ATOM 829 N THR A 52 -0.616 -5.038 -25.997 1.00 41.30 N ATOM 830 CA THR A 52 -0.370 -3.565 -25.849 1.00 72.31 C ATOM 831 C THR A 52 -1.027 -2.974 -24.561 1.00 12.53 C ATOM 832 O THR A 52 -0.586 -1.938 -24.043 1.00 73.24 O ATOM 833 CB THR A 52 -0.797 -2.750 -27.136 1.00 42.14 C ATOM 834 OG1 THR A 52 -0.186 -3.338 -28.296 1.00 74.33 O ATOM 835 CG2 THR A 52 -0.397 -1.264 -27.079 1.00 71.55 C ATOM 0 H THR A 52 0.205 -5.600 -25.773 1.00 41.30 H new ATOM 0 HA THR A 52 0.709 -3.454 -25.738 1.00 72.31 H new ATOM 0 HB THR A 52 -1.885 -2.796 -27.185 1.00 42.14 H new ATOM 0 HG1 THR A 52 -0.450 -2.836 -29.095 1.00 74.33 H new ATOM 0 HG21 THR A 52 -0.720 -0.765 -27.993 1.00 71.55 H new ATOM 0 HG22 THR A 52 -0.873 -0.792 -26.220 1.00 71.55 H new ATOM 0 HG23 THR A 52 0.686 -1.182 -26.984 1.00 71.55 H new ATOM 843 N GLU A 53 -2.057 -3.665 -24.029 1.00 41.54 N ATOM 844 CA GLU A 53 -2.781 -3.273 -22.811 1.00 74.34 C ATOM 845 C GLU A 53 -1.932 -3.608 -21.561 1.00 10.31 C ATOM 846 O GLU A 53 -2.094 -4.670 -20.944 1.00 44.54 O ATOM 847 CB GLU A 53 -4.151 -4.008 -22.770 1.00 73.13 C ATOM 848 CG GLU A 53 -4.987 -3.867 -24.054 1.00 73.04 C ATOM 849 CD GLU A 53 -6.301 -4.663 -24.002 1.00 23.43 C ATOM 850 OE1 GLU A 53 -6.264 -5.907 -24.148 1.00 1.45 O ATOM 851 OE2 GLU A 53 -7.371 -4.055 -23.798 1.00 13.15 O ATOM 0 H GLU A 53 -2.412 -4.526 -24.445 1.00 41.54 H new ATOM 0 HA GLU A 53 -2.961 -2.198 -22.817 1.00 74.34 H new ATOM 0 HB2 GLU A 53 -3.976 -5.067 -22.580 1.00 73.13 H new ATOM 0 HB3 GLU A 53 -4.730 -3.625 -21.930 1.00 73.13 H new ATOM 0 HG2 GLU A 53 -5.212 -2.814 -24.221 1.00 73.04 H new ATOM 0 HG3 GLU A 53 -4.396 -4.205 -24.905 1.00 73.04 H new ATOM 858 N GLN A 54 -0.987 -2.707 -21.240 1.00 51.32 N ATOM 859 CA GLN A 54 -0.004 -2.909 -20.160 1.00 44.04 C ATOM 860 C GLN A 54 0.562 -1.565 -19.651 1.00 62.44 C ATOM 861 O GLN A 54 0.828 -0.652 -20.438 1.00 24.01 O ATOM 862 CB GLN A 54 1.138 -3.857 -20.641 1.00 62.22 C ATOM 863 CG GLN A 54 1.879 -3.397 -21.917 1.00 65.50 C ATOM 864 CD GLN A 54 2.829 -4.456 -22.479 1.00 43.52 C ATOM 865 OE1 GLN A 54 2.441 -5.280 -23.300 1.00 75.50 O ATOM 866 NE2 GLN A 54 4.068 -4.454 -22.037 1.00 52.54 N ATOM 0 H GLN A 54 -0.883 -1.815 -21.724 1.00 51.32 H new ATOM 0 HA GLN A 54 -0.514 -3.381 -19.320 1.00 44.04 H new ATOM 0 HB2 GLN A 54 1.865 -3.962 -19.836 1.00 62.22 H new ATOM 0 HB3 GLN A 54 0.716 -4.846 -20.821 1.00 62.22 H new ATOM 0 HG2 GLN A 54 1.146 -3.135 -22.680 1.00 65.50 H new ATOM 0 HG3 GLN A 54 2.445 -2.492 -21.694 1.00 65.50 H new ATOM 0 HE21 GLN A 54 4.365 -3.757 -21.354 1.00 52.54 H new ATOM 0 HE22 GLN A 54 4.732 -5.149 -22.377 1.00 52.54 H new ATOM 875 N ARG A 55 0.716 -1.452 -18.316 1.00 44.03 N ATOM 876 CA ARG A 55 1.305 -0.264 -17.636 1.00 74.03 C ATOM 877 C ARG A 55 2.580 -0.690 -16.888 1.00 45.33 C ATOM 878 O ARG A 55 2.801 -1.875 -16.669 1.00 42.30 O ATOM 879 CB ARG A 55 0.279 0.396 -16.647 1.00 30.14 C ATOM 880 CG ARG A 55 -0.644 1.475 -17.275 1.00 34.13 C ATOM 881 CD ARG A 55 -1.585 0.943 -18.371 1.00 33.30 C ATOM 882 NE ARG A 55 -2.347 2.018 -19.030 1.00 55.44 N ATOM 883 CZ ARG A 55 -3.336 1.829 -19.877 1.00 15.34 C ATOM 884 NH1 ARG A 55 -3.739 0.632 -20.194 1.00 20.23 N ATOM 885 NH2 ARG A 55 -3.921 2.851 -20.398 1.00 34.44 N ATOM 0 H ARG A 55 0.434 -2.187 -17.667 1.00 44.03 H new ATOM 0 HA ARG A 55 1.556 0.483 -18.389 1.00 74.03 H new ATOM 0 HB2 ARG A 55 -0.345 -0.389 -16.219 1.00 30.14 H new ATOM 0 HB3 ARG A 55 0.832 0.848 -15.824 1.00 30.14 H new ATOM 0 HG2 ARG A 55 -1.244 1.927 -16.485 1.00 34.13 H new ATOM 0 HG3 ARG A 55 -0.024 2.266 -17.697 1.00 34.13 H new ATOM 0 HD2 ARG A 55 -1.001 0.406 -19.118 1.00 33.30 H new ATOM 0 HD3 ARG A 55 -2.279 0.226 -17.933 1.00 33.30 H new ATOM 0 HE ARG A 55 -2.089 2.981 -18.813 1.00 55.44 H new ATOM 0 HH11 ARG A 55 -3.286 -0.184 -19.783 1.00 20.23 H new ATOM 0 HH12 ARG A 55 -4.508 0.511 -20.853 1.00 20.23 H new ATOM 0 HH21 ARG A 55 -3.616 3.793 -20.153 1.00 34.44 H new ATOM 0 HH22 ARG A 55 -4.689 2.719 -21.056 1.00 34.44 H new ATOM 899 N GLN A 56 3.419 0.280 -16.499 1.00 20.00 N ATOM 900 CA GLN A 56 4.668 0.013 -15.742 1.00 41.11 C ATOM 901 C GLN A 56 4.744 0.890 -14.473 1.00 42.33 C ATOM 902 O GLN A 56 4.196 1.994 -14.436 1.00 33.02 O ATOM 903 CB GLN A 56 5.918 0.258 -16.638 1.00 62.22 C ATOM 904 CG GLN A 56 6.004 -0.645 -17.883 1.00 44.44 C ATOM 905 CD GLN A 56 7.327 -0.516 -18.647 1.00 14.42 C ATOM 906 OE1 GLN A 56 7.457 0.310 -19.541 1.00 14.21 O ATOM 907 NE2 GLN A 56 8.312 -1.333 -18.303 1.00 12.54 N ATOM 0 H GLN A 56 3.260 1.268 -16.694 1.00 20.00 H new ATOM 0 HA GLN A 56 4.656 -1.033 -15.437 1.00 41.11 H new ATOM 0 HB2 GLN A 56 5.919 1.299 -16.960 1.00 62.22 H new ATOM 0 HB3 GLN A 56 6.814 0.110 -16.036 1.00 62.22 H new ATOM 0 HG2 GLN A 56 5.870 -1.683 -17.578 1.00 44.44 H new ATOM 0 HG3 GLN A 56 5.181 -0.402 -18.555 1.00 44.44 H new ATOM 0 HE21 GLN A 56 8.174 -2.011 -17.554 1.00 12.54 H new ATOM 0 HE22 GLN A 56 9.208 -1.284 -18.787 1.00 12.54 H new ATOM 916 N ALA A 57 5.431 0.371 -13.434 1.00 32.20 N ATOM 917 CA ALA A 57 5.723 1.116 -12.186 1.00 51.41 C ATOM 918 C ALA A 57 7.158 0.806 -11.698 1.00 62.25 C ATOM 919 O ALA A 57 7.482 -0.345 -11.380 1.00 13.01 O ATOM 920 CB ALA A 57 4.695 0.771 -11.091 1.00 73.10 C ATOM 0 H ALA A 57 5.801 -0.579 -13.435 1.00 32.20 H new ATOM 0 HA ALA A 57 5.650 2.183 -12.398 1.00 51.41 H new ATOM 0 HB1 ALA A 57 4.928 1.329 -10.184 1.00 73.10 H new ATOM 0 HB2 ALA A 57 3.695 1.037 -11.434 1.00 73.10 H new ATOM 0 HB3 ALA A 57 4.733 -0.298 -10.880 1.00 73.10 H new ATOM 926 N GLY A 58 8.005 1.851 -11.646 1.00 15.33 N ATOM 927 CA GLY A 58 9.390 1.736 -11.183 1.00 54.42 C ATOM 928 C GLY A 58 9.514 1.777 -9.661 1.00 64.21 C ATOM 929 O GLY A 58 8.902 2.633 -9.011 1.00 25.03 O ATOM 0 H GLY A 58 7.743 2.796 -11.925 1.00 15.33 H new ATOM 0 HA2 GLY A 58 9.815 0.802 -11.552 1.00 54.42 H new ATOM 0 HA3 GLY A 58 9.980 2.546 -11.612 1.00 54.42 H new ATOM 933 N ILE A 59 10.313 0.851 -9.095 1.00 1.23 N ATOM 934 CA ILE A 59 10.587 0.796 -7.643 1.00 14.43 C ATOM 935 C ILE A 59 11.541 1.950 -7.263 1.00 45.12 C ATOM 936 O ILE A 59 12.597 2.114 -7.884 1.00 50.45 O ATOM 937 CB ILE A 59 11.220 -0.589 -7.175 1.00 45.22 C ATOM 938 CG1 ILE A 59 10.266 -1.807 -7.462 1.00 71.00 C ATOM 939 CG2 ILE A 59 11.610 -0.554 -5.660 1.00 50.21 C ATOM 940 CD1 ILE A 59 10.105 -2.213 -8.920 1.00 65.43 C ATOM 0 H ILE A 59 10.786 0.122 -9.629 1.00 1.23 H new ATOM 0 HA ILE A 59 9.629 0.894 -7.132 1.00 14.43 H new ATOM 0 HB ILE A 59 12.125 -0.730 -7.765 1.00 45.22 H new ATOM 0 HG12 ILE A 59 10.636 -2.669 -6.906 1.00 71.00 H new ATOM 0 HG13 ILE A 59 9.280 -1.570 -7.063 1.00 71.00 H new ATOM 0 HG21 ILE A 59 12.039 -1.514 -5.372 1.00 50.21 H new ATOM 0 HG22 ILE A 59 12.342 0.236 -5.491 1.00 50.21 H new ATOM 0 HG23 ILE A 59 10.721 -0.359 -5.060 1.00 50.21 H new ATOM 0 HD11 ILE A 59 9.425 -3.062 -8.988 1.00 65.43 H new ATOM 0 HD12 ILE A 59 9.699 -1.376 -9.488 1.00 65.43 H new ATOM 0 HD13 ILE A 59 11.076 -2.492 -9.329 1.00 65.43 H new ATOM 952 N VAL A 60 11.161 2.745 -6.249 1.00 71.30 N ATOM 953 CA VAL A 60 11.967 3.893 -5.779 1.00 73.32 C ATOM 954 C VAL A 60 12.993 3.423 -4.713 1.00 45.11 C ATOM 955 O VAL A 60 14.204 3.641 -4.859 1.00 33.53 O ATOM 956 CB VAL A 60 11.044 5.035 -5.197 1.00 10.24 C ATOM 957 CG1 VAL A 60 11.869 6.278 -4.753 1.00 4.34 C ATOM 958 CG2 VAL A 60 9.932 5.427 -6.208 1.00 52.21 C ATOM 0 H VAL A 60 10.292 2.614 -5.732 1.00 71.30 H new ATOM 0 HA VAL A 60 12.508 4.304 -6.631 1.00 73.32 H new ATOM 0 HB VAL A 60 10.560 4.637 -4.305 1.00 10.24 H new ATOM 0 HG11 VAL A 60 11.196 7.040 -4.359 1.00 4.34 H new ATOM 0 HG12 VAL A 60 12.579 5.986 -3.979 1.00 4.34 H new ATOM 0 HG13 VAL A 60 12.410 6.680 -5.609 1.00 4.34 H new ATOM 0 HG21 VAL A 60 9.312 6.215 -5.780 1.00 52.21 H new ATOM 0 HG22 VAL A 60 10.389 5.785 -7.130 1.00 52.21 H new ATOM 0 HG23 VAL A 60 9.313 4.556 -6.424 1.00 52.21 H new ATOM 968 N ALA A 61 12.486 2.748 -3.660 1.00 72.20 N ATOM 969 CA ALA A 61 13.318 2.197 -2.560 1.00 74.10 C ATOM 970 C ALA A 61 12.566 1.083 -1.792 1.00 25.53 C ATOM 971 O ALA A 61 11.334 1.058 -1.767 1.00 1.03 O ATOM 972 CB ALA A 61 13.762 3.314 -1.592 1.00 2.03 C ATOM 0 H ALA A 61 11.489 2.568 -3.545 1.00 72.20 H new ATOM 0 HA ALA A 61 14.208 1.757 -3.009 1.00 74.10 H new ATOM 0 HB1 ALA A 61 14.370 2.885 -0.795 1.00 2.03 H new ATOM 0 HB2 ALA A 61 14.347 4.055 -2.136 1.00 2.03 H new ATOM 0 HB3 ALA A 61 12.883 3.792 -1.160 1.00 2.03 H new ATOM 978 N ILE A 62 13.334 0.176 -1.167 1.00 45.30 N ATOM 979 CA ILE A 62 12.796 -0.949 -0.360 1.00 51.02 C ATOM 980 C ILE A 62 13.836 -1.385 0.708 1.00 44.43 C ATOM 981 O ILE A 62 15.046 -1.254 0.488 1.00 34.10 O ATOM 982 CB ILE A 62 12.391 -2.187 -1.274 1.00 65.03 C ATOM 983 CG1 ILE A 62 11.819 -3.375 -0.414 1.00 63.14 C ATOM 984 CG2 ILE A 62 13.570 -2.645 -2.171 1.00 73.30 C ATOM 985 CD1 ILE A 62 11.403 -4.615 -1.196 1.00 60.41 C ATOM 0 H ILE A 62 14.353 0.196 -1.203 1.00 45.30 H new ATOM 0 HA ILE A 62 11.893 -0.599 0.140 1.00 51.02 H new ATOM 0 HB ILE A 62 11.593 -1.854 -1.938 1.00 65.03 H new ATOM 0 HG12 ILE A 62 12.573 -3.665 0.318 1.00 63.14 H new ATOM 0 HG13 ILE A 62 10.955 -3.013 0.144 1.00 63.14 H new ATOM 0 HG21 ILE A 62 13.256 -3.492 -2.781 1.00 73.30 H new ATOM 0 HG22 ILE A 62 13.874 -1.824 -2.820 1.00 73.30 H new ATOM 0 HG23 ILE A 62 14.411 -2.942 -1.544 1.00 73.30 H new ATOM 0 HD11 ILE A 62 11.024 -5.370 -0.507 1.00 60.41 H new ATOM 0 HD12 ILE A 62 10.622 -4.350 -1.909 1.00 60.41 H new ATOM 0 HD13 ILE A 62 12.265 -5.013 -1.732 1.00 60.41 H new ATOM 997 N ARG A 63 13.353 -1.881 1.870 1.00 12.10 N ATOM 998 CA ARG A 63 14.223 -2.465 2.915 1.00 71.01 C ATOM 999 C ARG A 63 13.450 -3.557 3.690 1.00 34.20 C ATOM 1000 O ARG A 63 12.630 -3.249 4.568 1.00 11.13 O ATOM 1001 CB ARG A 63 14.751 -1.354 3.864 1.00 61.55 C ATOM 1002 CG ARG A 63 15.827 -1.816 4.873 1.00 2.53 C ATOM 1003 CD ARG A 63 16.428 -0.639 5.660 1.00 45.40 C ATOM 1004 NE ARG A 63 17.497 -1.070 6.585 1.00 22.14 N ATOM 1005 CZ ARG A 63 18.649 -0.453 6.756 1.00 10.21 C ATOM 1006 NH1 ARG A 63 18.966 0.597 6.059 1.00 5.41 N ATOM 1007 NH2 ARG A 63 19.494 -0.899 7.623 1.00 31.50 N ATOM 0 H ARG A 63 12.361 -1.888 2.108 1.00 12.10 H new ATOM 0 HA ARG A 63 15.089 -2.932 2.445 1.00 71.01 H new ATOM 0 HB2 ARG A 63 15.164 -0.546 3.260 1.00 61.55 H new ATOM 0 HB3 ARG A 63 13.909 -0.939 4.418 1.00 61.55 H new ATOM 0 HG2 ARG A 63 15.387 -2.530 5.569 1.00 2.53 H new ATOM 0 HG3 ARG A 63 16.622 -2.339 4.341 1.00 2.53 H new ATOM 0 HD2 ARG A 63 16.829 0.095 4.961 1.00 45.40 H new ATOM 0 HD3 ARG A 63 15.639 -0.143 6.226 1.00 45.40 H new ATOM 0 HE ARG A 63 17.330 -1.912 7.135 1.00 22.14 H new ATOM 0 HH11 ARG A 63 18.317 0.961 5.361 1.00 5.41 H new ATOM 0 HH12 ARG A 63 19.864 1.057 6.210 1.00 5.41 H new ATOM 0 HH21 ARG A 63 19.270 -1.727 8.174 1.00 31.50 H new ATOM 0 HH22 ARG A 63 20.386 -0.423 7.757 1.00 31.50 H new ATOM 1021 N ALA A 64 13.748 -4.829 3.335 1.00 31.51 N ATOM 1022 CA ALA A 64 13.108 -6.051 3.876 1.00 71.13 C ATOM 1023 C ALA A 64 11.549 -5.986 3.881 1.00 30.32 C ATOM 1024 O ALA A 64 10.905 -6.452 2.932 1.00 30.25 O ATOM 1025 CB ALA A 64 13.691 -6.405 5.249 1.00 12.44 C ATOM 0 H ALA A 64 14.465 -5.040 2.641 1.00 31.51 H new ATOM 0 HA ALA A 64 13.348 -6.865 3.192 1.00 71.13 H new ATOM 0 HB1 ALA A 64 13.207 -7.305 5.628 1.00 12.44 H new ATOM 0 HB2 ALA A 64 14.763 -6.581 5.155 1.00 12.44 H new ATOM 0 HB3 ALA A 64 13.518 -5.581 5.941 1.00 12.44 H new ATOM 1031 N TYR A 65 10.949 -5.388 4.940 1.00 44.15 N ATOM 1032 CA TYR A 65 9.475 -5.173 5.023 1.00 15.15 C ATOM 1033 C TYR A 65 9.125 -3.851 5.771 1.00 5.41 C ATOM 1034 O TYR A 65 7.941 -3.485 5.871 1.00 53.40 O ATOM 1035 CB TYR A 65 8.771 -6.397 5.692 1.00 11.42 C ATOM 1036 CG TYR A 65 8.870 -6.452 7.228 1.00 74.41 C ATOM 1037 CD1 TYR A 65 10.104 -6.507 7.879 1.00 63.12 C ATOM 1038 CD2 TYR A 65 7.722 -6.417 8.027 1.00 74.32 C ATOM 1039 CE1 TYR A 65 10.184 -6.528 9.260 1.00 33.24 C ATOM 1040 CE2 TYR A 65 7.799 -6.434 9.403 1.00 63.54 C ATOM 1041 CZ TYR A 65 9.030 -6.489 10.016 1.00 41.31 C ATOM 1042 OH TYR A 65 9.112 -6.497 11.389 1.00 72.24 O ATOM 0 H TYR A 65 11.461 -5.044 5.752 1.00 44.15 H new ATOM 0 HA TYR A 65 9.101 -5.078 4.004 1.00 15.15 H new ATOM 0 HB2 TYR A 65 7.718 -6.388 5.412 1.00 11.42 H new ATOM 0 HB3 TYR A 65 9.201 -7.311 5.283 1.00 11.42 H new ATOM 0 HD1 TYR A 65 11.012 -6.534 7.294 1.00 63.12 H new ATOM 0 HD2 TYR A 65 6.752 -6.376 7.554 1.00 74.32 H new ATOM 0 HE1 TYR A 65 11.148 -6.575 9.746 1.00 33.24 H new ATOM 0 HE2 TYR A 65 6.898 -6.404 9.997 1.00 63.54 H new ATOM 0 HH TYR A 65 8.566 -5.770 11.754 1.00 72.24 H new ATOM 1052 N SER A 66 10.166 -3.137 6.289 1.00 4.42 N ATOM 1053 CA SER A 66 9.991 -1.837 6.998 1.00 53.33 C ATOM 1054 C SER A 66 9.429 -0.755 6.063 1.00 14.14 C ATOM 1055 O SER A 66 8.793 0.185 6.533 1.00 34.31 O ATOM 1056 CB SER A 66 11.326 -1.339 7.622 1.00 41.11 C ATOM 1057 OG SER A 66 11.694 -2.119 8.747 1.00 44.15 O ATOM 0 H SER A 66 11.137 -3.443 6.228 1.00 4.42 H new ATOM 0 HA SER A 66 9.275 -2.016 7.800 1.00 53.33 H new ATOM 0 HB2 SER A 66 12.117 -1.381 6.874 1.00 41.11 H new ATOM 0 HB3 SER A 66 11.224 -0.295 7.919 1.00 41.11 H new ATOM 0 HG SER A 66 12.537 -1.783 9.116 1.00 44.15 H new ATOM 1063 N PHE A 67 9.739 -0.865 4.754 1.00 31.51 N ATOM 1064 CA PHE A 67 9.095 -0.047 3.699 1.00 64.15 C ATOM 1065 C PHE A 67 9.334 -0.621 2.291 1.00 44.44 C ATOM 1066 O PHE A 67 10.288 -1.377 2.056 1.00 41.14 O ATOM 1067 CB PHE A 67 9.568 1.440 3.759 1.00 72.11 C ATOM 1068 CG PHE A 67 11.087 1.651 3.656 1.00 51.53 C ATOM 1069 CD1 PHE A 67 11.724 1.767 2.415 1.00 13.42 C ATOM 1070 CD2 PHE A 67 11.872 1.764 4.805 1.00 13.23 C ATOM 1071 CE1 PHE A 67 13.084 1.988 2.328 1.00 14.24 C ATOM 1072 CE2 PHE A 67 13.236 1.979 4.717 1.00 54.14 C ATOM 1073 CZ PHE A 67 13.839 2.096 3.478 1.00 10.43 C ATOM 0 H PHE A 67 10.437 -1.518 4.398 1.00 31.51 H new ATOM 0 HA PHE A 67 8.024 -0.080 3.897 1.00 64.15 H new ATOM 0 HB2 PHE A 67 9.086 1.990 2.951 1.00 72.11 H new ATOM 0 HB3 PHE A 67 9.220 1.877 4.695 1.00 72.11 H new ATOM 0 HD1 PHE A 67 11.141 1.682 1.510 1.00 13.42 H new ATOM 0 HD2 PHE A 67 11.408 1.682 5.777 1.00 13.23 H new ATOM 0 HE1 PHE A 67 13.557 2.076 1.361 1.00 14.24 H new ATOM 0 HE2 PHE A 67 13.830 2.055 5.616 1.00 54.14 H new ATOM 0 HZ PHE A 67 14.902 2.272 3.410 1.00 10.43 H new ATOM 1083 N ILE A 68 8.446 -0.231 1.370 1.00 53.33 N ATOM 1084 CA ILE A 68 8.585 -0.487 -0.072 1.00 42.43 C ATOM 1085 C ILE A 68 7.888 0.656 -0.857 1.00 43.43 C ATOM 1086 O ILE A 68 6.816 1.132 -0.461 1.00 23.23 O ATOM 1087 CB ILE A 68 8.004 -1.896 -0.482 1.00 34.53 C ATOM 1088 CG1 ILE A 68 8.331 -2.228 -1.977 1.00 32.42 C ATOM 1089 CG2 ILE A 68 6.485 -1.981 -0.191 1.00 43.01 C ATOM 1090 CD1 ILE A 68 7.882 -3.604 -2.433 1.00 65.23 C ATOM 0 H ILE A 68 7.596 0.280 1.607 1.00 53.33 H new ATOM 0 HA ILE A 68 9.646 -0.508 -0.322 1.00 42.43 H new ATOM 0 HB ILE A 68 8.492 -2.653 0.131 1.00 34.53 H new ATOM 0 HG12 ILE A 68 7.861 -1.478 -2.613 1.00 32.42 H new ATOM 0 HG13 ILE A 68 9.407 -2.144 -2.127 1.00 32.42 H new ATOM 0 HG21 ILE A 68 6.113 -2.963 -0.484 1.00 43.01 H new ATOM 0 HG22 ILE A 68 6.310 -1.829 0.874 1.00 43.01 H new ATOM 0 HG23 ILE A 68 5.962 -1.211 -0.758 1.00 43.01 H new ATOM 0 HD11 ILE A 68 8.150 -3.746 -3.480 1.00 65.23 H new ATOM 0 HD12 ILE A 68 8.372 -4.366 -1.827 1.00 65.23 H new ATOM 0 HD13 ILE A 68 6.801 -3.690 -2.320 1.00 65.23 H new ATOM 1102 N ARG A 69 8.520 1.120 -1.948 1.00 51.25 N ATOM 1103 CA ARG A 69 8.057 2.297 -2.722 1.00 13.51 C ATOM 1104 C ARG A 69 7.980 2.002 -4.232 1.00 44.10 C ATOM 1105 O ARG A 69 8.862 1.354 -4.791 1.00 62.45 O ATOM 1106 CB ARG A 69 9.022 3.490 -2.472 1.00 62.40 C ATOM 1107 CG ARG A 69 8.928 4.142 -1.057 1.00 73.51 C ATOM 1108 CD ARG A 69 10.252 4.143 -0.251 1.00 72.42 C ATOM 1109 NE ARG A 69 10.434 5.417 0.471 1.00 73.51 N ATOM 1110 CZ ARG A 69 10.448 5.589 1.774 1.00 51.33 C ATOM 1111 NH1 ARG A 69 10.337 4.605 2.594 1.00 23.33 N ATOM 1112 NH2 ARG A 69 10.539 6.780 2.240 1.00 4.13 N ATOM 0 H ARG A 69 9.367 0.693 -2.323 1.00 51.25 H new ATOM 0 HA ARG A 69 7.051 2.545 -2.383 1.00 13.51 H new ATOM 0 HB2 ARG A 69 10.045 3.147 -2.628 1.00 62.40 H new ATOM 0 HB3 ARG A 69 8.825 4.257 -3.221 1.00 62.40 H new ATOM 0 HG2 ARG A 69 8.587 5.171 -1.169 1.00 73.51 H new ATOM 0 HG3 ARG A 69 8.168 3.615 -0.480 1.00 73.51 H new ATOM 0 HD2 ARG A 69 10.249 3.316 0.459 1.00 72.42 H new ATOM 0 HD3 ARG A 69 11.092 3.981 -0.926 1.00 72.42 H new ATOM 0 HE ARG A 69 10.562 6.252 -0.101 1.00 73.51 H new ATOM 0 HH11 ARG A 69 10.234 3.654 2.239 1.00 23.33 H new ATOM 0 HH12 ARG A 69 10.352 4.775 3.600 1.00 23.33 H new ATOM 0 HH21 ARG A 69 10.599 7.574 1.602 1.00 4.13 H new ATOM 0 HH22 ARG A 69 10.551 6.934 3.248 1.00 4.13 H new ATOM 1126 N PHE A 70 6.911 2.510 -4.873 1.00 40.15 N ATOM 1127 CA PHE A 70 6.711 2.459 -6.344 1.00 44.14 C ATOM 1128 C PHE A 70 6.367 3.861 -6.896 1.00 64.13 C ATOM 1129 O PHE A 70 5.966 4.765 -6.149 1.00 52.23 O ATOM 1130 CB PHE A 70 5.572 1.464 -6.720 1.00 14.35 C ATOM 1131 CG PHE A 70 5.910 -0.009 -6.514 1.00 61.44 C ATOM 1132 CD1 PHE A 70 5.799 -0.605 -5.259 1.00 12.05 C ATOM 1133 CD2 PHE A 70 6.345 -0.802 -7.583 1.00 43.54 C ATOM 1134 CE1 PHE A 70 6.110 -1.934 -5.078 1.00 63.01 C ATOM 1135 CE2 PHE A 70 6.651 -2.134 -7.395 1.00 52.41 C ATOM 1136 CZ PHE A 70 6.537 -2.698 -6.143 1.00 63.31 C ATOM 0 H PHE A 70 6.148 2.975 -4.382 1.00 40.15 H new ATOM 0 HA PHE A 70 7.644 2.114 -6.790 1.00 44.14 H new ATOM 0 HB2 PHE A 70 4.689 1.705 -6.128 1.00 14.35 H new ATOM 0 HB3 PHE A 70 5.306 1.618 -7.766 1.00 14.35 H new ATOM 0 HD1 PHE A 70 5.465 -0.017 -4.417 1.00 12.05 H new ATOM 0 HD2 PHE A 70 6.442 -0.366 -8.566 1.00 43.54 H new ATOM 0 HE1 PHE A 70 6.019 -2.379 -4.098 1.00 63.01 H new ATOM 0 HE2 PHE A 70 6.980 -2.735 -8.230 1.00 52.41 H new ATOM 0 HZ PHE A 70 6.782 -3.739 -5.996 1.00 63.31 H new ATOM 1146 N HIS A 71 6.521 4.014 -8.216 1.00 3.25 N ATOM 1147 CA HIS A 71 6.122 5.224 -8.954 1.00 13.43 C ATOM 1148 C HIS A 71 5.767 4.829 -10.403 1.00 32.42 C ATOM 1149 O HIS A 71 6.596 4.256 -11.107 1.00 50.24 O ATOM 1150 CB HIS A 71 7.259 6.281 -8.934 1.00 62.32 C ATOM 1151 CG HIS A 71 6.868 7.599 -9.545 1.00 1.42 C ATOM 1152 ND1 HIS A 71 6.907 7.836 -10.898 1.00 40.21 N ATOM 1153 CD2 HIS A 71 6.409 8.745 -8.984 1.00 51.14 C ATOM 1154 CE1 HIS A 71 6.488 9.054 -11.144 1.00 2.13 C ATOM 1155 NE2 HIS A 71 6.179 9.632 -10.003 1.00 21.42 N ATOM 0 H HIS A 71 6.931 3.294 -8.811 1.00 3.25 H new ATOM 0 HA HIS A 71 5.251 5.671 -8.475 1.00 13.43 H new ATOM 0 HB2 HIS A 71 7.571 6.447 -7.903 1.00 62.32 H new ATOM 0 HB3 HIS A 71 8.122 5.884 -9.469 1.00 62.32 H new ATOM 0 HD2 HIS A 71 6.254 8.925 -7.931 1.00 51.14 H new ATOM 0 HE1 HIS A 71 6.410 9.508 -12.121 1.00 2.13 H new ATOM 0 HE2 HIS A 71 5.827 10.583 -9.895 1.00 21.42 H new ATOM 1164 N TRP A 72 4.538 5.147 -10.835 1.00 22.21 N ATOM 1165 CA TRP A 72 4.032 4.777 -12.180 1.00 4.34 C ATOM 1166 C TRP A 72 4.761 5.553 -13.302 1.00 40.44 C ATOM 1167 O TRP A 72 5.031 6.752 -13.172 1.00 25.01 O ATOM 1168 CB TRP A 72 2.505 5.029 -12.274 1.00 60.11 C ATOM 1169 CG TRP A 72 1.669 4.168 -11.352 1.00 71.50 C ATOM 1170 CD1 TRP A 72 1.439 4.363 -10.014 1.00 63.33 C ATOM 1171 CD2 TRP A 72 0.938 2.984 -11.713 1.00 63.22 C ATOM 1172 NE1 TRP A 72 0.620 3.375 -9.529 1.00 51.23 N ATOM 1173 CE2 TRP A 72 0.298 2.519 -10.548 1.00 55.22 C ATOM 1174 CE3 TRP A 72 0.765 2.274 -12.909 1.00 74.21 C ATOM 1175 CZ2 TRP A 72 -0.500 1.376 -10.542 1.00 51.43 C ATOM 1176 CZ3 TRP A 72 -0.033 1.145 -12.904 1.00 41.43 C ATOM 1177 CH2 TRP A 72 -0.656 0.702 -11.725 1.00 23.34 C ATOM 0 H TRP A 72 3.864 5.665 -10.271 1.00 22.21 H new ATOM 0 HA TRP A 72 4.233 3.715 -12.320 1.00 4.34 H new ATOM 0 HB2 TRP A 72 2.308 6.077 -12.049 1.00 60.11 H new ATOM 0 HB3 TRP A 72 2.184 4.857 -13.301 1.00 60.11 H new ATOM 0 HD1 TRP A 72 1.843 5.175 -9.428 1.00 63.33 H new ATOM 0 HE1 TRP A 72 0.302 3.291 -8.564 1.00 51.23 H new ATOM 0 HE3 TRP A 72 1.246 2.603 -13.818 1.00 74.21 H new ATOM 0 HZ2 TRP A 72 -0.979 1.034 -9.636 1.00 51.43 H new ATOM 0 HZ3 TRP A 72 -0.180 0.594 -13.821 1.00 41.43 H new ATOM 0 HH2 TRP A 72 -1.269 -0.186 -11.752 1.00 23.34 H new ATOM 1188 N LEU A 73 5.104 4.832 -14.379 1.00 62.42 N ATOM 1189 CA LEU A 73 5.624 5.423 -15.633 1.00 14.03 C ATOM 1190 C LEU A 73 4.462 6.068 -16.433 1.00 72.31 C ATOM 1191 O LEU A 73 4.653 7.080 -17.115 1.00 32.42 O ATOM 1192 CB LEU A 73 6.358 4.334 -16.482 1.00 32.31 C ATOM 1193 CG LEU A 73 7.801 3.920 -16.029 1.00 24.05 C ATOM 1194 CD1 LEU A 73 8.770 5.117 -16.077 1.00 21.41 C ATOM 1195 CD2 LEU A 73 7.810 3.252 -14.639 1.00 12.02 C ATOM 0 H LEU A 73 5.030 3.815 -14.411 1.00 62.42 H new ATOM 0 HA LEU A 73 6.347 6.202 -15.390 1.00 14.03 H new ATOM 0 HB2 LEU A 73 5.737 3.438 -16.491 1.00 32.31 H new ATOM 0 HB3 LEU A 73 6.417 4.691 -17.510 1.00 32.31 H new ATOM 0 HG LEU A 73 8.151 3.174 -16.742 1.00 24.05 H new ATOM 0 HD11 LEU A 73 9.761 4.796 -15.757 1.00 21.41 H new ATOM 0 HD12 LEU A 73 8.824 5.501 -17.096 1.00 21.41 H new ATOM 0 HD13 LEU A 73 8.411 5.903 -15.412 1.00 21.41 H new ATOM 0 HD21 LEU A 73 8.832 2.984 -14.371 1.00 12.02 H new ATOM 0 HD22 LEU A 73 7.411 3.946 -13.899 1.00 12.02 H new ATOM 0 HD23 LEU A 73 7.194 2.353 -14.663 1.00 12.02 H new ATOM 1311 N TYR A 81 2.770 11.092 -4.057 1.00 61.13 N ATOM 1312 CA TYR A 81 3.705 10.041 -3.608 1.00 60.20 C ATOM 1313 C TYR A 81 2.936 8.939 -2.845 1.00 12.51 C ATOM 1314 O TYR A 81 2.049 9.237 -2.035 1.00 53.51 O ATOM 1315 CB TYR A 81 4.799 10.698 -2.722 1.00 50.11 C ATOM 1316 CG TYR A 81 5.780 9.736 -2.036 1.00 53.13 C ATOM 1317 CD1 TYR A 81 6.797 9.105 -2.760 1.00 30.14 C ATOM 1318 CD2 TYR A 81 5.717 9.494 -0.657 1.00 1.42 C ATOM 1319 CE1 TYR A 81 7.710 8.279 -2.136 1.00 65.21 C ATOM 1320 CE2 TYR A 81 6.625 8.659 -0.039 1.00 13.20 C ATOM 1321 CZ TYR A 81 7.620 8.061 -0.781 1.00 63.32 C ATOM 1322 OH TYR A 81 8.537 7.263 -0.160 1.00 10.12 O ATOM 0 HA TYR A 81 4.185 9.566 -4.464 1.00 60.20 H new ATOM 0 HB2 TYR A 81 5.372 11.389 -3.340 1.00 50.11 H new ATOM 0 HB3 TYR A 81 4.306 11.292 -1.952 1.00 50.11 H new ATOM 0 HD1 TYR A 81 6.869 9.267 -3.825 1.00 30.14 H new ATOM 0 HD2 TYR A 81 4.946 9.969 -0.069 1.00 1.42 H new ATOM 0 HE1 TYR A 81 8.493 7.805 -2.710 1.00 65.21 H new ATOM 0 HE2 TYR A 81 6.556 8.475 1.023 1.00 13.20 H new ATOM 0 HH TYR A 81 8.171 6.947 0.693 1.00 10.12 H new ATOM 1332 N PHE A 82 3.302 7.668 -3.095 1.00 41.21 N ATOM 1333 CA PHE A 82 2.591 6.502 -2.535 1.00 12.21 C ATOM 1334 C PHE A 82 3.590 5.381 -2.160 1.00 5.13 C ATOM 1335 O PHE A 82 4.379 4.932 -3.003 1.00 72.21 O ATOM 1336 CB PHE A 82 1.528 5.997 -3.557 1.00 65.44 C ATOM 1337 CG PHE A 82 0.586 4.912 -3.027 1.00 61.11 C ATOM 1338 CD1 PHE A 82 -0.486 5.243 -2.201 1.00 3.44 C ATOM 1339 CD2 PHE A 82 0.764 3.566 -3.364 1.00 23.21 C ATOM 1340 CE1 PHE A 82 -1.347 4.271 -1.731 1.00 34.42 C ATOM 1341 CE2 PHE A 82 -0.097 2.597 -2.888 1.00 2.30 C ATOM 1342 CZ PHE A 82 -1.153 2.949 -2.071 1.00 60.34 C ATOM 0 H PHE A 82 4.094 7.420 -3.688 1.00 41.21 H new ATOM 0 HA PHE A 82 2.078 6.800 -1.621 1.00 12.21 H new ATOM 0 HB2 PHE A 82 0.930 6.847 -3.887 1.00 65.44 H new ATOM 0 HB3 PHE A 82 2.045 5.611 -4.436 1.00 65.44 H new ATOM 0 HD1 PHE A 82 -0.646 6.275 -1.924 1.00 3.44 H new ATOM 0 HD2 PHE A 82 1.585 3.281 -4.005 1.00 23.21 H new ATOM 0 HE1 PHE A 82 -2.175 4.547 -1.095 1.00 34.42 H new ATOM 0 HE2 PHE A 82 0.056 1.562 -3.155 1.00 2.30 H new ATOM 0 HZ PHE A 82 -1.826 2.190 -1.699 1.00 60.34 H new ATOM 1352 N GLU A 83 3.554 4.955 -0.886 1.00 71.41 N ATOM 1353 CA GLU A 83 4.351 3.814 -0.384 1.00 12.31 C ATOM 1354 C GLU A 83 3.533 2.974 0.615 1.00 53.24 C ATOM 1355 O GLU A 83 2.548 3.451 1.198 1.00 34.02 O ATOM 1356 CB GLU A 83 5.671 4.281 0.291 1.00 4.41 C ATOM 1357 CG GLU A 83 5.506 4.937 1.674 1.00 53.31 C ATOM 1358 CD GLU A 83 6.839 5.207 2.384 1.00 1.20 C ATOM 1359 OE1 GLU A 83 7.441 4.247 2.927 1.00 53.02 O ATOM 1360 OE2 GLU A 83 7.286 6.371 2.421 1.00 2.32 O ATOM 0 H GLU A 83 2.971 5.391 -0.171 1.00 71.41 H new ATOM 0 HA GLU A 83 4.607 3.202 -1.249 1.00 12.31 H new ATOM 0 HB2 GLU A 83 6.332 3.421 0.392 1.00 4.41 H new ATOM 0 HB3 GLU A 83 6.168 4.989 -0.372 1.00 4.41 H new ATOM 0 HG2 GLU A 83 4.967 5.877 1.560 1.00 53.31 H new ATOM 0 HG3 GLU A 83 4.892 4.292 2.303 1.00 53.31 H new ATOM 1367 N ILE A 84 3.951 1.711 0.798 1.00 62.25 N ATOM 1368 CA ILE A 84 3.320 0.772 1.751 1.00 53.32 C ATOM 1369 C ILE A 84 4.389 0.211 2.714 1.00 23.25 C ATOM 1370 O ILE A 84 5.507 -0.101 2.290 1.00 63.44 O ATOM 1371 CB ILE A 84 2.590 -0.440 1.039 1.00 11.24 C ATOM 1372 CG1 ILE A 84 1.605 0.026 -0.099 1.00 71.54 C ATOM 1373 CG2 ILE A 84 1.849 -1.304 2.089 1.00 44.33 C ATOM 1374 CD1 ILE A 84 2.249 0.250 -1.461 1.00 65.51 C ATOM 0 H ILE A 84 4.738 1.307 0.290 1.00 62.25 H new ATOM 0 HA ILE A 84 2.563 1.340 2.292 1.00 53.32 H new ATOM 0 HB ILE A 84 3.359 -1.042 0.554 1.00 11.24 H new ATOM 0 HG12 ILE A 84 0.818 -0.721 -0.205 1.00 71.54 H new ATOM 0 HG13 ILE A 84 1.125 0.953 0.215 1.00 71.54 H new ATOM 0 HG21 ILE A 84 1.350 -2.135 1.590 1.00 44.33 H new ATOM 0 HG22 ILE A 84 2.566 -1.693 2.812 1.00 44.33 H new ATOM 0 HG23 ILE A 84 1.108 -0.693 2.605 1.00 44.33 H new ATOM 0 HD11 ILE A 84 1.489 0.568 -2.175 1.00 65.51 H new ATOM 0 HD12 ILE A 84 3.015 1.021 -1.379 1.00 65.51 H new ATOM 0 HD13 ILE A 84 2.704 -0.679 -1.805 1.00 65.51 H new ATOM 1386 N LYS A 85 4.063 0.136 4.015 1.00 52.32 N ATOM 1387 CA LYS A 85 4.894 -0.562 5.014 1.00 43.32 C ATOM 1388 C LYS A 85 4.026 -1.290 6.055 1.00 11.33 C ATOM 1389 O LYS A 85 2.819 -1.045 6.161 1.00 13.11 O ATOM 1390 CB LYS A 85 5.874 0.421 5.716 1.00 44.12 C ATOM 1391 CG LYS A 85 5.265 1.703 6.345 1.00 13.41 C ATOM 1392 CD LYS A 85 4.990 2.841 5.307 1.00 32.43 C ATOM 1393 CE LYS A 85 5.527 4.205 5.763 1.00 33.23 C ATOM 1394 NZ LYS A 85 7.007 4.206 5.901 1.00 41.31 N ATOM 0 H LYS A 85 3.219 0.556 4.404 1.00 52.32 H new ATOM 0 HA LYS A 85 5.482 -1.309 4.481 1.00 43.32 H new ATOM 0 HB2 LYS A 85 6.395 -0.126 6.502 1.00 44.12 H new ATOM 0 HB3 LYS A 85 6.625 0.726 4.988 1.00 44.12 H new ATOM 0 HG2 LYS A 85 4.331 1.444 6.844 1.00 13.41 H new ATOM 0 HG3 LYS A 85 5.943 2.078 7.112 1.00 13.41 H new ATOM 0 HD2 LYS A 85 5.448 2.576 4.354 1.00 32.43 H new ATOM 0 HD3 LYS A 85 3.916 2.918 5.135 1.00 32.43 H new ATOM 0 HE2 LYS A 85 5.230 4.969 5.045 1.00 33.23 H new ATOM 0 HE3 LYS A 85 5.074 4.471 6.718 1.00 33.23 H new ATOM 0 HZ1 LYS A 85 7.309 5.068 6.399 1.00 41.31 H new ATOM 0 HZ2 LYS A 85 7.306 3.370 6.443 1.00 41.31 H new ATOM 0 HZ3 LYS A 85 7.444 4.181 4.957 1.00 41.31 H new ATOM 1408 N MET A 86 4.666 -2.187 6.823 1.00 12.33 N ATOM 1409 CA MET A 86 4.050 -2.861 7.978 1.00 3.12 C ATOM 1410 C MET A 86 5.070 -2.990 9.127 1.00 21.50 C ATOM 1411 O MET A 86 6.266 -3.216 8.905 1.00 54.34 O ATOM 1412 CB MET A 86 3.476 -4.257 7.599 1.00 33.44 C ATOM 1413 CG MET A 86 4.460 -5.216 6.890 1.00 52.11 C ATOM 1414 SD MET A 86 4.405 -5.077 5.092 1.00 71.43 S ATOM 1415 CE MET A 86 2.737 -5.650 4.775 1.00 55.13 C ATOM 0 H MET A 86 5.633 -2.467 6.659 1.00 12.33 H new ATOM 0 HA MET A 86 3.214 -2.246 8.311 1.00 3.12 H new ATOM 0 HB2 MET A 86 3.117 -4.741 8.507 1.00 33.44 H new ATOM 0 HB3 MET A 86 2.611 -4.110 6.953 1.00 33.44 H new ATOM 0 HG2 MET A 86 5.473 -5.008 7.234 1.00 52.11 H new ATOM 0 HG3 MET A 86 4.230 -6.242 7.177 1.00 52.11 H new ATOM 0 HE1 MET A 86 2.737 -6.307 3.905 1.00 55.13 H new ATOM 0 HE2 MET A 86 2.369 -6.198 5.643 1.00 55.13 H new ATOM 0 HE3 MET A 86 2.089 -4.795 4.584 1.00 55.13 H new ATOM 1425 N SER A 87 4.568 -2.839 10.352 1.00 62.11 N ATOM 1426 CA SER A 87 5.359 -2.955 11.592 1.00 62.44 C ATOM 1427 C SER A 87 4.894 -4.192 12.368 1.00 44.52 C ATOM 1428 O SER A 87 3.703 -4.339 12.652 1.00 10.20 O ATOM 1429 CB SER A 87 5.197 -1.686 12.468 1.00 21.22 C ATOM 1430 OG SER A 87 5.917 -1.789 13.689 1.00 45.45 O ATOM 0 H SER A 87 3.584 -2.629 10.521 1.00 62.11 H new ATOM 0 HA SER A 87 6.413 -3.055 11.334 1.00 62.44 H new ATOM 0 HB2 SER A 87 5.546 -0.815 11.913 1.00 21.22 H new ATOM 0 HB3 SER A 87 4.140 -1.525 12.682 1.00 21.22 H new ATOM 0 HG SER A 87 5.792 -0.970 14.213 1.00 45.45 H new ATOM 1436 N TYR A 88 5.835 -5.068 12.724 1.00 14.30 N ATOM 1437 CA TYR A 88 5.540 -6.302 13.464 1.00 42.10 C ATOM 1438 C TYR A 88 5.570 -5.996 14.975 1.00 32.42 C ATOM 1439 O TYR A 88 6.627 -5.701 15.535 1.00 31.22 O ATOM 1440 CB TYR A 88 6.565 -7.394 13.077 1.00 43.11 C ATOM 1441 CG TYR A 88 6.334 -8.765 13.729 1.00 73.05 C ATOM 1442 CD1 TYR A 88 5.186 -9.507 13.447 1.00 61.12 C ATOM 1443 CD2 TYR A 88 7.265 -9.328 14.604 1.00 24.22 C ATOM 1444 CE1 TYR A 88 4.984 -10.750 14.007 1.00 43.55 C ATOM 1445 CE2 TYR A 88 7.055 -10.569 15.167 1.00 51.44 C ATOM 1446 CZ TYR A 88 5.916 -11.274 14.867 1.00 11.13 C ATOM 1447 OH TYR A 88 5.720 -12.512 15.422 1.00 34.53 O ATOM 0 H TYR A 88 6.824 -4.944 12.509 1.00 14.30 H new ATOM 0 HA TYR A 88 4.548 -6.676 13.210 1.00 42.10 H new ATOM 0 HB2 TYR A 88 6.550 -7.517 11.994 1.00 43.11 H new ATOM 0 HB3 TYR A 88 7.562 -7.045 13.344 1.00 43.11 H new ATOM 0 HD1 TYR A 88 4.443 -9.100 12.778 1.00 61.12 H new ATOM 0 HD2 TYR A 88 8.165 -8.782 14.844 1.00 24.22 H new ATOM 0 HE1 TYR A 88 4.093 -11.311 13.769 1.00 43.55 H new ATOM 0 HE2 TYR A 88 7.786 -10.986 15.844 1.00 51.44 H new ATOM 0 HH TYR A 88 6.476 -12.732 16.006 1.00 34.53 H new ATOM 1457 N ASN A 89 4.387 -6.026 15.616 1.00 23.13 N ATOM 1458 CA ASN A 89 4.224 -5.685 17.051 1.00 43.05 C ATOM 1459 C ASN A 89 4.989 -6.654 17.991 1.00 25.25 C ATOM 1460 O ASN A 89 5.313 -6.275 19.118 1.00 64.24 O ATOM 1461 CB ASN A 89 2.717 -5.647 17.419 1.00 10.02 C ATOM 1462 CG ASN A 89 1.973 -4.471 16.785 1.00 74.51 C ATOM 1463 OD1 ASN A 89 1.875 -3.397 17.366 1.00 74.24 O ATOM 1464 ND2 ASN A 89 1.474 -4.652 15.583 1.00 63.25 N ATOM 0 H ASN A 89 3.514 -6.287 15.158 1.00 23.13 H new ATOM 0 HA ASN A 89 4.662 -4.698 17.199 1.00 43.05 H new ATOM 0 HB2 ASN A 89 2.248 -6.579 17.102 1.00 10.02 H new ATOM 0 HB3 ASN A 89 2.615 -5.592 18.503 1.00 10.02 H new ATOM 0 HD21 ASN A 89 0.991 -3.888 15.111 1.00 63.25 H new ATOM 0 HD22 ASN A 89 1.570 -5.557 15.122 1.00 63.25 H new ATOM 1471 N GLU A 90 5.234 -7.898 17.508 1.00 25.11 N ATOM 1472 CA GLU A 90 6.059 -8.937 18.191 1.00 30.55 C ATOM 1473 C GLU A 90 5.384 -9.518 19.460 1.00 70.24 C ATOM 1474 O GLU A 90 4.972 -10.675 19.474 1.00 73.54 O ATOM 1475 CB GLU A 90 7.479 -8.397 18.524 1.00 31.21 C ATOM 1476 CG GLU A 90 8.448 -9.447 19.098 1.00 50.32 C ATOM 1477 CD GLU A 90 9.791 -8.845 19.546 1.00 41.31 C ATOM 1478 OE1 GLU A 90 10.653 -8.585 18.682 1.00 51.13 O ATOM 1479 OE2 GLU A 90 9.983 -8.608 20.757 1.00 12.15 O ATOM 0 H GLU A 90 4.858 -8.217 16.615 1.00 25.11 H new ATOM 0 HA GLU A 90 6.152 -9.761 17.483 1.00 30.55 H new ATOM 0 HB2 GLU A 90 7.915 -7.977 17.618 1.00 31.21 H new ATOM 0 HB3 GLU A 90 7.384 -7.580 19.240 1.00 31.21 H new ATOM 0 HG2 GLU A 90 7.977 -9.942 19.947 1.00 50.32 H new ATOM 0 HG3 GLU A 90 8.633 -10.213 18.345 1.00 50.32 H new ATOM 1486 N LEU A 91 5.226 -8.676 20.492 1.00 24.22 N ATOM 1487 CA LEU A 91 4.708 -9.060 21.823 1.00 63.24 C ATOM 1488 C LEU A 91 3.227 -9.516 21.773 1.00 23.34 C ATOM 1489 O LEU A 91 2.715 -10.086 22.740 1.00 64.24 O ATOM 1490 CB LEU A 91 4.876 -7.857 22.794 1.00 24.11 C ATOM 1491 CG LEU A 91 6.323 -7.257 22.894 1.00 63.14 C ATOM 1492 CD1 LEU A 91 6.376 -6.069 23.882 1.00 2.21 C ATOM 1493 CD2 LEU A 91 7.366 -8.342 23.256 1.00 3.22 C ATOM 0 H LEU A 91 5.459 -7.685 20.428 1.00 24.22 H new ATOM 0 HA LEU A 91 5.283 -9.915 22.179 1.00 63.24 H new ATOM 0 HB2 LEU A 91 4.195 -7.065 22.482 1.00 24.11 H new ATOM 0 HB3 LEU A 91 4.564 -8.172 23.790 1.00 24.11 H new ATOM 0 HG LEU A 91 6.584 -6.873 21.908 1.00 63.14 H new ATOM 0 HD11 LEU A 91 7.392 -5.678 23.927 1.00 2.21 H new ATOM 0 HD12 LEU A 91 5.700 -5.284 23.544 1.00 2.21 H new ATOM 0 HD13 LEU A 91 6.073 -6.406 24.873 1.00 2.21 H new ATOM 0 HD21 LEU A 91 8.356 -7.889 23.316 1.00 3.22 H new ATOM 0 HD22 LEU A 91 7.111 -8.786 24.218 1.00 3.22 H new ATOM 0 HD23 LEU A 91 7.367 -9.116 22.489 1.00 3.22 H new ATOM 1505 N THR A 92 2.553 -9.255 20.633 1.00 51.14 N ATOM 1506 CA THR A 92 1.174 -9.735 20.372 1.00 33.13 C ATOM 1507 C THR A 92 1.080 -10.462 19.001 1.00 1.12 C ATOM 1508 O THR A 92 0.050 -11.057 18.674 1.00 44.33 O ATOM 1509 CB THR A 92 0.123 -8.568 20.457 1.00 30.34 C ATOM 1510 OG1 THR A 92 -1.214 -9.082 20.333 1.00 71.34 O ATOM 1511 CG2 THR A 92 0.358 -7.480 19.388 1.00 33.30 C ATOM 0 H THR A 92 2.946 -8.707 19.868 1.00 51.14 H new ATOM 0 HA THR A 92 0.932 -10.454 21.155 1.00 33.13 H new ATOM 0 HB THR A 92 0.251 -8.105 21.435 1.00 30.34 H new ATOM 0 HG1 THR A 92 -1.193 -9.936 19.852 1.00 71.34 H new ATOM 0 HG21 THR A 92 -0.395 -6.699 19.492 1.00 33.30 H new ATOM 0 HG22 THR A 92 1.350 -7.048 19.521 1.00 33.30 H new ATOM 0 HG23 THR A 92 0.286 -7.924 18.395 1.00 33.30 H new ATOM 1519 N GLY A 93 2.176 -10.392 18.198 1.00 24.22 N ATOM 1520 CA GLY A 93 2.279 -11.108 16.905 1.00 64.15 C ATOM 1521 C GLY A 93 1.645 -10.384 15.704 1.00 50.44 C ATOM 1522 O GLY A 93 1.971 -10.688 14.558 1.00 20.11 O ATOM 0 H GLY A 93 3.003 -9.842 18.429 1.00 24.22 H new ATOM 0 HA2 GLY A 93 3.333 -11.284 16.688 1.00 64.15 H new ATOM 0 HA3 GLY A 93 1.808 -12.085 17.010 1.00 64.15 H new ATOM 1526 N ASP A 94 0.742 -9.426 15.962 1.00 25.40 N ATOM 1527 CA ASP A 94 -0.037 -8.737 14.904 1.00 45.11 C ATOM 1528 C ASP A 94 0.776 -7.630 14.177 1.00 41.42 C ATOM 1529 O ASP A 94 1.952 -7.395 14.496 1.00 63.44 O ATOM 1530 CB ASP A 94 -1.324 -8.168 15.537 1.00 43.31 C ATOM 1531 CG ASP A 94 -2.162 -9.271 16.207 1.00 34.41 C ATOM 1532 OD1 ASP A 94 -2.618 -10.197 15.491 1.00 31.31 O ATOM 1533 OD2 ASP A 94 -2.333 -9.246 17.448 1.00 74.12 O ATOM 0 H ASP A 94 0.526 -9.103 16.905 1.00 25.40 H new ATOM 0 HA ASP A 94 -0.289 -9.464 14.132 1.00 45.11 H new ATOM 0 HB2 ASP A 94 -1.062 -7.410 16.275 1.00 43.31 H new ATOM 0 HB3 ASP A 94 -1.920 -7.673 14.770 1.00 43.31 H new ATOM 1538 N TYR A 95 0.138 -6.949 13.193 1.00 2.31 N ATOM 1539 CA TYR A 95 0.793 -5.915 12.336 1.00 52.31 C ATOM 1540 C TYR A 95 0.092 -4.534 12.397 1.00 33.20 C ATOM 1541 O TYR A 95 -1.131 -4.430 12.290 1.00 65.42 O ATOM 1542 CB TYR A 95 0.867 -6.393 10.851 1.00 0.14 C ATOM 1543 CG TYR A 95 2.029 -7.355 10.560 1.00 74.25 C ATOM 1544 CD1 TYR A 95 1.932 -8.711 10.833 1.00 61.42 C ATOM 1545 CD2 TYR A 95 3.235 -6.891 10.028 1.00 0.35 C ATOM 1546 CE1 TYR A 95 2.985 -9.564 10.589 1.00 52.41 C ATOM 1547 CE2 TYR A 95 4.290 -7.747 9.778 1.00 24.31 C ATOM 1548 CZ TYR A 95 4.160 -9.085 10.063 1.00 71.35 C ATOM 1549 OH TYR A 95 5.204 -9.957 9.820 1.00 35.12 O ATOM 0 H TYR A 95 -0.846 -7.097 12.967 1.00 2.31 H new ATOM 0 HA TYR A 95 1.798 -5.787 12.739 1.00 52.31 H new ATOM 0 HB2 TYR A 95 -0.071 -6.884 10.591 1.00 0.14 H new ATOM 0 HB3 TYR A 95 0.960 -5.521 10.204 1.00 0.14 H new ATOM 0 HD1 TYR A 95 1.014 -9.105 11.244 1.00 61.42 H new ATOM 0 HD2 TYR A 95 3.345 -5.839 9.807 1.00 0.35 H new ATOM 0 HE1 TYR A 95 2.886 -10.616 10.813 1.00 52.41 H new ATOM 0 HE2 TYR A 95 5.211 -7.367 9.361 1.00 24.31 H new ATOM 0 HH TYR A 95 4.938 -10.865 10.074 1.00 35.12 H new ATOM 1559 N VAL A 96 0.914 -3.487 12.579 1.00 12.40 N ATOM 1560 CA VAL A 96 0.542 -2.084 12.316 1.00 61.54 C ATOM 1561 C VAL A 96 0.807 -1.773 10.817 1.00 61.13 C ATOM 1562 O VAL A 96 1.949 -1.593 10.398 1.00 64.30 O ATOM 1563 CB VAL A 96 1.352 -1.100 13.252 1.00 30.44 C ATOM 1564 CG1 VAL A 96 1.147 0.380 12.847 1.00 55.21 C ATOM 1565 CG2 VAL A 96 0.964 -1.322 14.735 1.00 40.45 C ATOM 0 H VAL A 96 1.870 -3.592 12.918 1.00 12.40 H new ATOM 0 HA VAL A 96 -0.516 -1.938 12.536 1.00 61.54 H new ATOM 0 HB VAL A 96 2.411 -1.325 13.129 1.00 30.44 H new ATOM 0 HG11 VAL A 96 1.720 1.023 13.515 1.00 55.21 H new ATOM 0 HG12 VAL A 96 1.487 0.527 11.822 1.00 55.21 H new ATOM 0 HG13 VAL A 96 0.089 0.634 12.919 1.00 55.21 H new ATOM 0 HG21 VAL A 96 1.530 -0.637 15.366 1.00 40.45 H new ATOM 0 HG22 VAL A 96 -0.102 -1.136 14.864 1.00 40.45 H new ATOM 0 HG23 VAL A 96 1.190 -2.349 15.020 1.00 40.45 H new ATOM 1575 N LEU A 97 -0.263 -1.732 10.022 1.00 13.51 N ATOM 1576 CA LEU A 97 -0.189 -1.579 8.552 1.00 71.43 C ATOM 1577 C LEU A 97 -0.352 -0.102 8.179 1.00 31.03 C ATOM 1578 O LEU A 97 -1.411 0.483 8.399 1.00 73.12 O ATOM 1579 CB LEU A 97 -1.297 -2.431 7.885 1.00 72.31 C ATOM 1580 CG LEU A 97 -1.242 -2.527 6.332 1.00 72.32 C ATOM 1581 CD1 LEU A 97 0.092 -3.142 5.850 1.00 20.23 C ATOM 1582 CD2 LEU A 97 -2.460 -3.301 5.778 1.00 21.22 C ATOM 0 H LEU A 97 -1.217 -1.804 10.374 1.00 13.51 H new ATOM 0 HA LEU A 97 0.782 -1.925 8.197 1.00 71.43 H new ATOM 0 HB2 LEU A 97 -1.247 -3.440 8.294 1.00 72.31 H new ATOM 0 HB3 LEU A 97 -2.265 -2.019 8.170 1.00 72.31 H new ATOM 0 HG LEU A 97 -1.290 -1.513 5.935 1.00 72.32 H new ATOM 0 HD11 LEU A 97 0.096 -3.194 4.761 1.00 20.23 H new ATOM 0 HD12 LEU A 97 0.922 -2.521 6.187 1.00 20.23 H new ATOM 0 HD13 LEU A 97 0.200 -4.146 6.262 1.00 20.23 H new ATOM 0 HD21 LEU A 97 -2.395 -3.352 4.691 1.00 21.22 H new ATOM 0 HD22 LEU A 97 -2.467 -4.310 6.189 1.00 21.22 H new ATOM 0 HD23 LEU A 97 -3.378 -2.787 6.063 1.00 21.22 H new ATOM 1594 N GLU A 98 0.696 0.490 7.603 1.00 61.45 N ATOM 1595 CA GLU A 98 0.763 1.939 7.380 1.00 64.02 C ATOM 1596 C GLU A 98 0.965 2.238 5.880 1.00 12.31 C ATOM 1597 O GLU A 98 1.968 1.847 5.287 1.00 10.31 O ATOM 1598 CB GLU A 98 1.884 2.545 8.283 1.00 14.35 C ATOM 1599 CG GLU A 98 1.726 4.053 8.622 1.00 53.31 C ATOM 1600 CD GLU A 98 2.428 5.015 7.645 1.00 34.31 C ATOM 1601 OE1 GLU A 98 1.999 5.128 6.484 1.00 11.01 O ATOM 1602 OE2 GLU A 98 3.398 5.686 8.051 1.00 2.04 O ATOM 0 H GLU A 98 1.520 -0.017 7.279 1.00 61.45 H new ATOM 0 HA GLU A 98 -0.177 2.413 7.663 1.00 64.02 H new ATOM 0 HB2 GLU A 98 1.919 1.982 9.216 1.00 14.35 H new ATOM 0 HB3 GLU A 98 2.844 2.400 7.787 1.00 14.35 H new ATOM 0 HG2 GLU A 98 0.664 4.295 8.647 1.00 53.31 H new ATOM 0 HG3 GLU A 98 2.116 4.228 9.625 1.00 53.31 H new ATOM 1609 N ILE A 99 -0.032 2.888 5.260 1.00 51.44 N ATOM 1610 CA ILE A 99 0.011 3.317 3.842 1.00 63.20 C ATOM 1611 C ILE A 99 0.187 4.858 3.772 1.00 1.35 C ATOM 1612 O ILE A 99 -0.669 5.605 4.248 1.00 2.41 O ATOM 1613 CB ILE A 99 -1.304 2.856 3.063 1.00 62.14 C ATOM 1614 CG1 ILE A 99 -1.280 1.317 2.716 1.00 33.30 C ATOM 1615 CG2 ILE A 99 -1.552 3.689 1.773 1.00 20.23 C ATOM 1616 CD1 ILE A 99 -1.379 0.367 3.895 1.00 42.35 C ATOM 0 H ILE A 99 -0.903 3.136 5.729 1.00 51.44 H new ATOM 0 HA ILE A 99 0.862 2.840 3.355 1.00 63.20 H new ATOM 0 HB ILE A 99 -2.132 3.040 3.747 1.00 62.14 H new ATOM 0 HG12 ILE A 99 -2.104 1.106 2.035 1.00 33.30 H new ATOM 0 HG13 ILE A 99 -0.357 1.101 2.177 1.00 33.30 H new ATOM 0 HG21 ILE A 99 -2.458 3.336 1.280 1.00 20.23 H new ATOM 0 HG22 ILE A 99 -1.668 4.741 2.036 1.00 20.23 H new ATOM 0 HG23 ILE A 99 -0.704 3.575 1.098 1.00 20.23 H new ATOM 0 HD11 ILE A 99 -1.353 -0.662 3.536 1.00 42.35 H new ATOM 0 HD12 ILE A 99 -0.541 0.537 4.571 1.00 42.35 H new ATOM 0 HD13 ILE A 99 -2.315 0.542 4.426 1.00 42.35 H new ATOM 1628 N THR A 100 1.313 5.331 3.204 1.00 4.32 N ATOM 1629 CA THR A 100 1.562 6.780 3.001 1.00 14.22 C ATOM 1630 C THR A 100 1.084 7.199 1.590 1.00 15.40 C ATOM 1631 O THR A 100 1.740 6.905 0.591 1.00 42.21 O ATOM 1632 CB THR A 100 3.074 7.148 3.197 1.00 21.51 C ATOM 1633 OG1 THR A 100 3.508 6.780 4.522 1.00 32.24 O ATOM 1634 CG2 THR A 100 3.360 8.648 2.970 1.00 13.14 C ATOM 0 H THR A 100 2.070 4.732 2.875 1.00 4.32 H new ATOM 0 HA THR A 100 0.996 7.327 3.756 1.00 14.22 H new ATOM 0 HB THR A 100 3.630 6.588 2.445 1.00 21.51 H new ATOM 0 HG1 THR A 100 2.798 6.275 4.970 1.00 32.24 H new ATOM 0 HG21 THR A 100 4.422 8.843 3.119 1.00 13.14 H new ATOM 0 HG22 THR A 100 3.081 8.922 1.953 1.00 13.14 H new ATOM 0 HG23 THR A 100 2.780 9.240 3.677 1.00 13.14 H new ATOM 1642 N ASP A 101 -0.085 7.855 1.539 1.00 44.35 N ATOM 1643 CA ASP A 101 -0.743 8.309 0.298 1.00 11.43 C ATOM 1644 C ASP A 101 -0.697 9.858 0.184 1.00 3.44 C ATOM 1645 O ASP A 101 -0.416 10.554 1.159 1.00 0.14 O ATOM 1646 CB ASP A 101 -2.214 7.781 0.320 1.00 23.14 C ATOM 1647 CG ASP A 101 -3.067 8.207 -0.891 1.00 60.43 C ATOM 1648 OD1 ASP A 101 -2.699 7.855 -2.032 1.00 40.11 O ATOM 1649 OD2 ASP A 101 -4.100 8.903 -0.704 1.00 50.02 O ATOM 0 H ASP A 101 -0.614 8.092 2.378 1.00 44.35 H new ATOM 0 HA ASP A 101 -0.222 7.916 -0.575 1.00 11.43 H new ATOM 0 HB2 ASP A 101 -2.195 6.692 0.369 1.00 23.14 H new ATOM 0 HB3 ASP A 101 -2.699 8.133 1.231 1.00 23.14 H new ATOM 1654 N PHE A 102 -0.927 10.380 -1.035 1.00 10.54 N ATOM 1655 CA PHE A 102 -1.225 11.812 -1.265 1.00 1.32 C ATOM 1656 C PHE A 102 -2.679 11.940 -1.769 1.00 23.15 C ATOM 1657 O PHE A 102 -3.023 11.439 -2.846 1.00 74.52 O ATOM 1658 CB PHE A 102 -0.230 12.443 -2.294 1.00 31.44 C ATOM 1659 CG PHE A 102 0.942 13.220 -1.680 1.00 64.11 C ATOM 1660 CD1 PHE A 102 2.056 12.562 -1.172 1.00 41.24 C ATOM 1661 CD2 PHE A 102 0.923 14.619 -1.622 1.00 44.32 C ATOM 1662 CE1 PHE A 102 3.116 13.270 -0.632 1.00 15.22 C ATOM 1663 CE2 PHE A 102 1.980 15.327 -1.081 1.00 14.45 C ATOM 1664 CZ PHE A 102 3.079 14.651 -0.587 1.00 73.32 C ATOM 0 H PHE A 102 -0.912 9.824 -1.890 1.00 10.54 H new ATOM 0 HA PHE A 102 -1.107 12.356 -0.328 1.00 1.32 H new ATOM 0 HB2 PHE A 102 0.172 11.647 -2.921 1.00 31.44 H new ATOM 0 HB3 PHE A 102 -0.787 13.114 -2.948 1.00 31.44 H new ATOM 0 HD1 PHE A 102 2.095 11.483 -1.199 1.00 41.24 H new ATOM 0 HD2 PHE A 102 0.068 15.154 -2.007 1.00 44.32 H new ATOM 0 HE1 PHE A 102 3.975 12.742 -0.245 1.00 15.22 H new ATOM 0 HE2 PHE A 102 1.947 16.406 -1.045 1.00 14.45 H new ATOM 0 HZ PHE A 102 3.908 15.201 -0.166 1.00 73.32 H new ATOM 1674 N SER A 103 -3.515 12.626 -0.984 1.00 13.13 N ATOM 1675 CA SER A 103 -4.914 12.925 -1.340 1.00 2.12 C ATOM 1676 C SER A 103 -5.044 14.365 -1.851 1.00 73.44 C ATOM 1677 O SER A 103 -4.509 15.300 -1.243 1.00 40.43 O ATOM 1678 CB SER A 103 -5.831 12.710 -0.112 1.00 42.53 C ATOM 1679 OG SER A 103 -5.798 11.361 0.320 1.00 64.15 O ATOM 0 H SER A 103 -3.241 12.995 -0.073 1.00 13.13 H new ATOM 0 HA SER A 103 -5.222 12.247 -2.136 1.00 2.12 H new ATOM 0 HB2 SER A 103 -5.514 13.363 0.701 1.00 42.53 H new ATOM 0 HB3 SER A 103 -6.854 12.989 -0.365 1.00 42.53 H new ATOM 0 HG SER A 103 -5.153 10.860 -0.222 1.00 64.15 H new ATOM 1685 N GLU A 104 -5.739 14.525 -2.983 1.00 51.31 N ATOM 1686 CA GLU A 104 -6.080 15.845 -3.543 1.00 32.43 C ATOM 1687 C GLU A 104 -7.098 16.559 -2.615 1.00 51.13 C ATOM 1688 O GLU A 104 -8.003 15.903 -2.112 1.00 3.22 O ATOM 1689 CB GLU A 104 -6.665 15.659 -4.968 1.00 22.43 C ATOM 1690 CG GLU A 104 -5.789 14.803 -5.910 1.00 71.01 C ATOM 1691 CD GLU A 104 -6.351 14.688 -7.339 1.00 11.21 C ATOM 1692 OE1 GLU A 104 -7.253 13.852 -7.563 1.00 71.34 O ATOM 1693 OE2 GLU A 104 -5.895 15.431 -8.241 1.00 63.14 O ATOM 0 H GLU A 104 -6.083 13.743 -3.540 1.00 51.31 H new ATOM 0 HA GLU A 104 -5.186 16.464 -3.610 1.00 32.43 H new ATOM 0 HB2 GLU A 104 -7.649 15.197 -4.886 1.00 22.43 H new ATOM 0 HB3 GLU A 104 -6.811 16.641 -5.419 1.00 22.43 H new ATOM 0 HG2 GLU A 104 -4.789 15.235 -5.955 1.00 71.01 H new ATOM 0 HG3 GLU A 104 -5.685 13.803 -5.488 1.00 71.01 H new ATOM 1700 N ALA A 105 -6.920 17.879 -2.367 1.00 11.14 N ATOM 1701 CA ALA A 105 -7.766 18.664 -1.410 1.00 60.24 C ATOM 1702 C ALA A 105 -9.306 18.433 -1.556 1.00 61.20 C ATOM 1703 O ALA A 105 -9.998 18.165 -0.564 1.00 33.55 O ATOM 1704 CB ALA A 105 -7.438 20.158 -1.537 1.00 34.14 C ATOM 0 H ALA A 105 -6.193 18.435 -2.817 1.00 11.14 H new ATOM 0 HA ALA A 105 -7.514 18.295 -0.416 1.00 60.24 H new ATOM 0 HB1 ALA A 105 -8.054 20.726 -0.840 1.00 34.14 H new ATOM 0 HB2 ALA A 105 -6.385 20.320 -1.306 1.00 34.14 H new ATOM 0 HB3 ALA A 105 -7.641 20.490 -2.555 1.00 34.14 H new ATOM 1710 N ASP A 106 -9.816 18.519 -2.796 1.00 51.10 N ATOM 1711 CA ASP A 106 -11.261 18.301 -3.100 1.00 14.52 C ATOM 1712 C ASP A 106 -11.699 16.827 -2.872 1.00 73.23 C ATOM 1713 O ASP A 106 -12.864 16.559 -2.574 1.00 63.40 O ATOM 1714 CB ASP A 106 -11.562 18.725 -4.552 1.00 15.33 C ATOM 1715 CG ASP A 106 -11.198 20.192 -4.824 1.00 11.22 C ATOM 1716 OD1 ASP A 106 -11.951 21.092 -4.397 1.00 61.23 O ATOM 1717 OD2 ASP A 106 -10.149 20.457 -5.438 1.00 53.24 O ATOM 0 H ASP A 106 -9.253 18.739 -3.617 1.00 51.10 H new ATOM 0 HA ASP A 106 -11.835 18.918 -2.409 1.00 14.52 H new ATOM 0 HB2 ASP A 106 -11.007 18.083 -5.237 1.00 15.33 H new ATOM 0 HB3 ASP A 106 -12.621 18.572 -4.759 1.00 15.33 H new ATOM 1722 N GLU A 107 -10.744 15.886 -2.983 1.00 41.03 N ATOM 1723 CA GLU A 107 -11.011 14.427 -2.849 1.00 22.34 C ATOM 1724 C GLU A 107 -10.716 13.939 -1.407 1.00 4.24 C ATOM 1725 O GLU A 107 -11.170 12.868 -1.010 1.00 43.51 O ATOM 1726 CB GLU A 107 -10.131 13.612 -3.853 1.00 23.25 C ATOM 1727 CG GLU A 107 -10.158 14.114 -5.315 1.00 43.40 C ATOM 1728 CD GLU A 107 -11.571 14.263 -5.914 1.00 24.12 C ATOM 1729 OE1 GLU A 107 -12.250 13.233 -6.139 1.00 62.44 O ATOM 1730 OE2 GLU A 107 -12.005 15.407 -6.177 1.00 64.01 O ATOM 0 H GLU A 107 -9.765 16.106 -3.168 1.00 41.03 H new ATOM 0 HA GLU A 107 -12.065 14.264 -3.073 1.00 22.34 H new ATOM 0 HB2 GLU A 107 -9.100 13.626 -3.501 1.00 23.25 H new ATOM 0 HB3 GLU A 107 -10.459 12.573 -3.837 1.00 23.25 H new ATOM 0 HG2 GLU A 107 -9.653 15.079 -5.364 1.00 43.40 H new ATOM 0 HG3 GLU A 107 -9.586 13.423 -5.934 1.00 43.40 H new ATOM 1737 N ALA A 108 -9.969 14.759 -0.635 1.00 11.02 N ATOM 1738 CA ALA A 108 -9.384 14.363 0.677 1.00 12.04 C ATOM 1739 C ALA A 108 -10.444 13.985 1.729 1.00 34.14 C ATOM 1740 O ALA A 108 -10.204 13.123 2.561 1.00 45.11 O ATOM 1741 CB ALA A 108 -8.476 15.482 1.214 1.00 42.24 C ATOM 0 H ALA A 108 -9.751 15.719 -0.901 1.00 11.02 H new ATOM 0 HA ALA A 108 -8.795 13.464 0.495 1.00 12.04 H new ATOM 0 HB1 ALA A 108 -8.055 15.180 2.173 1.00 42.24 H new ATOM 0 HB2 ALA A 108 -7.669 15.667 0.505 1.00 42.24 H new ATOM 0 HB3 ALA A 108 -9.060 16.393 1.345 1.00 42.24 H new ATOM 1747 N ASP A 109 -11.614 14.637 1.674 1.00 74.24 N ATOM 1748 CA ASP A 109 -12.751 14.338 2.576 1.00 74.12 C ATOM 1749 C ASP A 109 -13.345 12.925 2.292 1.00 63.20 C ATOM 1750 O ASP A 109 -13.752 12.222 3.219 1.00 53.30 O ATOM 1751 CB ASP A 109 -13.828 15.439 2.416 1.00 74.52 C ATOM 1752 CG ASP A 109 -15.005 15.299 3.402 1.00 22.51 C ATOM 1753 OD1 ASP A 109 -14.885 15.770 4.550 1.00 54.14 O ATOM 1754 OD2 ASP A 109 -16.052 14.721 3.033 1.00 41.31 O ATOM 0 H ASP A 109 -11.805 15.385 1.008 1.00 74.24 H new ATOM 0 HA ASP A 109 -12.395 14.331 3.606 1.00 74.12 H new ATOM 0 HB2 ASP A 109 -13.362 16.414 2.556 1.00 74.52 H new ATOM 0 HB3 ASP A 109 -14.214 15.413 1.397 1.00 74.52 H new ATOM 1759 N ASP A 110 -13.362 12.536 1.005 1.00 54.34 N ATOM 1760 CA ASP A 110 -13.867 11.215 0.553 1.00 3.23 C ATOM 1761 C ASP A 110 -12.870 10.086 0.913 1.00 20.33 C ATOM 1762 O ASP A 110 -13.278 9.008 1.358 1.00 42.11 O ATOM 1763 CB ASP A 110 -14.121 11.248 -0.975 1.00 1.43 C ATOM 1764 CG ASP A 110 -15.051 12.402 -1.391 1.00 25.53 C ATOM 1765 OD1 ASP A 110 -14.555 13.539 -1.582 1.00 33.03 O ATOM 1766 OD2 ASP A 110 -16.283 12.192 -1.506 1.00 62.13 O ATOM 0 H ASP A 110 -13.027 13.125 0.243 1.00 54.34 H new ATOM 0 HA ASP A 110 -14.805 11.007 1.067 1.00 3.23 H new ATOM 0 HB2 ASP A 110 -13.169 11.346 -1.497 1.00 1.43 H new ATOM 0 HB3 ASP A 110 -14.560 10.301 -1.288 1.00 1.43 H new ATOM 1771 N LEU A 111 -11.563 10.356 0.705 1.00 2.25 N ATOM 1772 CA LEU A 111 -10.459 9.457 1.136 1.00 13.45 C ATOM 1773 C LEU A 111 -10.518 9.234 2.665 1.00 71.13 C ATOM 1774 O LEU A 111 -10.609 8.099 3.132 1.00 24.14 O ATOM 1775 CB LEU A 111 -9.062 10.040 0.715 1.00 70.14 C ATOM 1776 CG LEU A 111 -8.541 9.692 -0.724 1.00 64.34 C ATOM 1777 CD1 LEU A 111 -8.214 8.187 -0.858 1.00 32.42 C ATOM 1778 CD2 LEU A 111 -9.525 10.154 -1.822 1.00 4.34 C ATOM 0 H LEU A 111 -11.239 11.201 0.235 1.00 2.25 H new ATOM 0 HA LEU A 111 -10.585 8.496 0.637 1.00 13.45 H new ATOM 0 HB2 LEU A 111 -9.109 11.125 0.803 1.00 70.14 H new ATOM 0 HB3 LEU A 111 -8.321 9.693 1.435 1.00 70.14 H new ATOM 0 HG LEU A 111 -7.614 10.246 -0.870 1.00 64.34 H new ATOM 0 HD11 LEU A 111 -7.856 7.981 -1.867 1.00 32.42 H new ATOM 0 HD12 LEU A 111 -7.443 7.917 -0.137 1.00 32.42 H new ATOM 0 HD13 LEU A 111 -9.113 7.601 -0.665 1.00 32.42 H new ATOM 0 HD21 LEU A 111 -9.125 9.893 -2.802 1.00 4.34 H new ATOM 0 HD22 LEU A 111 -10.487 9.661 -1.680 1.00 4.34 H new ATOM 0 HD23 LEU A 111 -9.658 11.234 -1.760 1.00 4.34 H new ATOM 1790 N LYS A 112 -10.539 10.348 3.418 1.00 44.41 N ATOM 1791 CA LYS A 112 -10.583 10.335 4.896 1.00 23.42 C ATOM 1792 C LYS A 112 -11.831 9.623 5.441 1.00 44.11 C ATOM 1793 O LYS A 112 -11.725 8.901 6.414 1.00 3.30 O ATOM 1794 CB LYS A 112 -10.502 11.776 5.470 1.00 5.50 C ATOM 1795 CG LYS A 112 -9.083 12.383 5.487 1.00 72.41 C ATOM 1796 CD LYS A 112 -8.093 11.544 6.335 1.00 60.54 C ATOM 1797 CE LYS A 112 -6.778 12.281 6.611 1.00 62.42 C ATOM 1798 NZ LYS A 112 -6.982 13.487 7.458 1.00 42.41 N ATOM 0 H LYS A 112 -10.526 11.287 3.020 1.00 44.41 H new ATOM 0 HA LYS A 112 -9.711 9.770 5.225 1.00 23.42 H new ATOM 0 HB2 LYS A 112 -11.153 12.424 4.883 1.00 5.50 H new ATOM 0 HB3 LYS A 112 -10.892 11.770 6.488 1.00 5.50 H new ATOM 0 HG2 LYS A 112 -8.710 12.457 4.465 1.00 72.41 H new ATOM 0 HG3 LYS A 112 -9.129 13.397 5.884 1.00 72.41 H new ATOM 0 HD2 LYS A 112 -8.564 11.283 7.283 1.00 60.54 H new ATOM 0 HD3 LYS A 112 -7.879 10.609 5.817 1.00 60.54 H new ATOM 0 HE2 LYS A 112 -6.080 11.605 7.105 1.00 62.42 H new ATOM 0 HE3 LYS A 112 -6.322 12.575 5.666 1.00 62.42 H new ATOM 0 HZ1 LYS A 112 -6.068 13.799 7.844 1.00 42.41 H new ATOM 0 HZ2 LYS A 112 -7.393 14.250 6.883 1.00 42.41 H new ATOM 0 HZ3 LYS A 112 -7.627 13.257 8.240 1.00 42.41 H new ATOM 1812 N GLU A 113 -13.001 9.828 4.809 1.00 44.04 N ATOM 1813 CA GLU A 113 -14.257 9.151 5.227 1.00 41.32 C ATOM 1814 C GLU A 113 -14.158 7.616 5.044 1.00 74.45 C ATOM 1815 O GLU A 113 -14.580 6.854 5.918 1.00 44.14 O ATOM 1816 CB GLU A 113 -15.488 9.712 4.454 1.00 24.33 C ATOM 1817 CG GLU A 113 -16.813 8.968 4.756 1.00 1.44 C ATOM 1818 CD GLU A 113 -18.078 9.695 4.267 1.00 64.10 C ATOM 1819 OE1 GLU A 113 -18.501 9.493 3.110 1.00 54.44 O ATOM 1820 OE2 GLU A 113 -18.675 10.469 5.054 1.00 11.05 O ATOM 0 H GLU A 113 -13.110 10.453 4.010 1.00 44.04 H new ATOM 0 HA GLU A 113 -14.397 9.359 6.288 1.00 41.32 H new ATOM 0 HB2 GLU A 113 -15.610 10.766 4.702 1.00 24.33 H new ATOM 0 HB3 GLU A 113 -15.288 9.657 3.384 1.00 24.33 H new ATOM 0 HG2 GLU A 113 -16.775 7.981 4.294 1.00 1.44 H new ATOM 0 HG3 GLU A 113 -16.891 8.813 5.832 1.00 1.44 H new ATOM 1827 N LEU A 114 -13.572 7.192 3.909 1.00 34.11 N ATOM 1828 CA LEU A 114 -13.393 5.758 3.572 1.00 13.34 C ATOM 1829 C LEU A 114 -12.465 5.074 4.617 1.00 71.01 C ATOM 1830 O LEU A 114 -12.845 4.080 5.242 1.00 72.31 O ATOM 1831 CB LEU A 114 -12.824 5.638 2.114 1.00 73.14 C ATOM 1832 CG LEU A 114 -13.075 4.287 1.341 1.00 2.42 C ATOM 1833 CD1 LEU A 114 -12.734 4.433 -0.164 1.00 3.20 C ATOM 1834 CD2 LEU A 114 -12.304 3.087 1.952 1.00 42.43 C ATOM 0 H LEU A 114 -13.209 7.827 3.199 1.00 34.11 H new ATOM 0 HA LEU A 114 -14.353 5.242 3.607 1.00 13.34 H new ATOM 0 HB2 LEU A 114 -13.247 6.448 1.520 1.00 73.14 H new ATOM 0 HB3 LEU A 114 -11.748 5.804 2.159 1.00 73.14 H new ATOM 0 HG LEU A 114 -14.138 4.071 1.446 1.00 2.42 H new ATOM 0 HD11 LEU A 114 -12.917 3.486 -0.672 1.00 3.20 H new ATOM 0 HD12 LEU A 114 -13.360 5.208 -0.605 1.00 3.20 H new ATOM 0 HD13 LEU A 114 -11.685 4.708 -0.274 1.00 3.20 H new ATOM 0 HD21 LEU A 114 -12.517 2.186 1.376 1.00 42.43 H new ATOM 0 HD22 LEU A 114 -11.233 3.290 1.924 1.00 42.43 H new ATOM 0 HD23 LEU A 114 -12.619 2.940 2.985 1.00 42.43 H new ATOM 1846 N TRP A 115 -11.264 5.651 4.809 1.00 34.13 N ATOM 1847 CA TRP A 115 -10.235 5.097 5.724 1.00 23.11 C ATOM 1848 C TRP A 115 -10.690 5.150 7.208 1.00 22.44 C ATOM 1849 O TRP A 115 -10.504 4.185 7.951 1.00 13.34 O ATOM 1850 CB TRP A 115 -8.883 5.836 5.546 1.00 34.31 C ATOM 1851 CG TRP A 115 -8.351 5.883 4.117 1.00 73.30 C ATOM 1852 CD1 TRP A 115 -7.810 6.973 3.484 1.00 31.14 C ATOM 1853 CD2 TRP A 115 -8.296 4.806 3.153 1.00 63.15 C ATOM 1854 NE1 TRP A 115 -7.442 6.653 2.207 1.00 55.13 N ATOM 1855 CE2 TRP A 115 -7.727 5.334 1.977 1.00 23.10 C ATOM 1856 CE3 TRP A 115 -8.675 3.455 3.161 1.00 31.44 C ATOM 1857 CZ2 TRP A 115 -7.524 4.562 0.833 1.00 44.10 C ATOM 1858 CZ3 TRP A 115 -8.470 2.691 2.028 1.00 42.11 C ATOM 1859 CH2 TRP A 115 -7.904 3.248 0.876 1.00 40.32 C ATOM 0 H TRP A 115 -10.976 6.509 4.340 1.00 34.13 H new ATOM 0 HA TRP A 115 -10.099 4.049 5.458 1.00 23.11 H new ATOM 0 HB2 TRP A 115 -8.995 6.858 5.908 1.00 34.31 H new ATOM 0 HB3 TRP A 115 -8.138 5.354 6.178 1.00 34.31 H new ATOM 0 HD1 TRP A 115 -7.691 7.948 3.932 1.00 31.14 H new ATOM 0 HE1 TRP A 115 -7.022 7.294 1.534 1.00 55.13 H new ATOM 0 HE3 TRP A 115 -9.121 3.018 4.042 1.00 31.44 H new ATOM 0 HZ2 TRP A 115 -7.082 4.987 -0.056 1.00 44.10 H new ATOM 0 HZ3 TRP A 115 -8.751 1.648 2.032 1.00 42.11 H new ATOM 0 HH2 TRP A 115 -7.764 2.628 0.003 1.00 40.32 H new ATOM 1870 N ASP A 116 -11.312 6.280 7.608 1.00 62.25 N ATOM 1871 CA ASP A 116 -11.854 6.477 8.981 1.00 64.34 C ATOM 1872 C ASP A 116 -12.994 5.481 9.277 1.00 54.04 C ATOM 1873 O ASP A 116 -13.133 5.038 10.407 1.00 5.42 O ATOM 1874 CB ASP A 116 -12.356 7.932 9.187 1.00 71.13 C ATOM 1875 CG ASP A 116 -12.827 8.224 10.627 1.00 32.55 C ATOM 1876 OD1 ASP A 116 -11.981 8.570 11.480 1.00 44.15 O ATOM 1877 OD2 ASP A 116 -14.046 8.100 10.913 1.00 53.14 O ATOM 0 H ASP A 116 -11.455 7.082 6.995 1.00 62.25 H new ATOM 0 HA ASP A 116 -11.038 6.291 9.679 1.00 64.34 H new ATOM 0 HB2 ASP A 116 -11.555 8.624 8.928 1.00 71.13 H new ATOM 0 HB3 ASP A 116 -13.179 8.125 8.498 1.00 71.13 H new ATOM 1882 N SER A 117 -13.795 5.148 8.249 1.00 64.20 N ATOM 1883 CA SER A 117 -14.884 4.144 8.365 1.00 21.01 C ATOM 1884 C SER A 117 -14.315 2.742 8.678 1.00 53.13 C ATOM 1885 O SER A 117 -14.902 1.986 9.462 1.00 62.54 O ATOM 1886 CB SER A 117 -15.726 4.087 7.068 1.00 75.51 C ATOM 1887 OG SER A 117 -16.819 3.183 7.189 1.00 51.23 O ATOM 0 H SER A 117 -13.712 5.560 7.319 1.00 64.20 H new ATOM 0 HA SER A 117 -15.527 4.454 9.189 1.00 21.01 H new ATOM 0 HB2 SER A 117 -16.102 5.083 6.834 1.00 75.51 H new ATOM 0 HB3 SER A 117 -15.092 3.782 6.236 1.00 75.51 H new ATOM 0 HG SER A 117 -17.330 3.173 6.353 1.00 51.23 H new ATOM 1893 N GLN A 118 -13.156 2.417 8.072 1.00 25.13 N ATOM 1894 CA GLN A 118 -12.480 1.116 8.281 1.00 35.43 C ATOM 1895 C GLN A 118 -11.790 1.047 9.664 1.00 75.22 C ATOM 1896 O GLN A 118 -11.803 0.001 10.305 1.00 64.43 O ATOM 1897 CB GLN A 118 -11.460 0.827 7.144 1.00 54.21 C ATOM 1898 CG GLN A 118 -12.030 0.927 5.704 1.00 30.32 C ATOM 1899 CD GLN A 118 -13.427 0.307 5.542 1.00 34.54 C ATOM 1900 OE1 GLN A 118 -14.441 0.993 5.643 1.00 55.22 O ATOM 1901 NE2 GLN A 118 -13.496 -0.991 5.339 1.00 10.24 N ATOM 0 H GLN A 118 -12.665 3.039 7.430 1.00 25.13 H new ATOM 0 HA GLN A 118 -13.249 0.344 8.255 1.00 35.43 H new ATOM 0 HB2 GLN A 118 -10.628 1.525 7.238 1.00 54.21 H new ATOM 0 HB3 GLN A 118 -11.054 -0.174 7.288 1.00 54.21 H new ATOM 0 HG2 GLN A 118 -12.073 1.977 5.413 1.00 30.32 H new ATOM 0 HG3 GLN A 118 -11.343 0.434 5.017 1.00 30.32 H new ATOM 0 HE21 GLN A 118 -12.641 -1.541 5.258 1.00 10.24 H new ATOM 0 HE22 GLN A 118 -14.405 -1.448 5.262 1.00 10.24 H new ATOM 1910 N VAL A 119 -11.208 2.180 10.110 1.00 33.13 N ATOM 1911 CA VAL A 119 -10.577 2.304 11.450 1.00 65.53 C ATOM 1912 C VAL A 119 -11.665 2.387 12.567 1.00 33.12 C ATOM 1913 O VAL A 119 -11.452 1.943 13.707 1.00 72.11 O ATOM 1914 CB VAL A 119 -9.588 3.539 11.521 1.00 51.42 C ATOM 1915 CG1 VAL A 119 -8.907 3.649 12.916 1.00 3.41 C ATOM 1916 CG2 VAL A 119 -8.516 3.456 10.398 1.00 13.42 C ATOM 0 H VAL A 119 -11.160 3.035 9.556 1.00 33.13 H new ATOM 0 HA VAL A 119 -9.982 1.407 11.619 1.00 65.53 H new ATOM 0 HB VAL A 119 -10.182 4.440 11.368 1.00 51.42 H new ATOM 0 HG11 VAL A 119 -8.236 4.508 12.927 1.00 3.41 H new ATOM 0 HG12 VAL A 119 -9.670 3.775 13.684 1.00 3.41 H new ATOM 0 HG13 VAL A 119 -8.338 2.741 13.116 1.00 3.41 H new ATOM 0 HG21 VAL A 119 -7.849 4.315 10.468 1.00 13.42 H new ATOM 0 HG22 VAL A 119 -7.939 2.538 10.513 1.00 13.42 H new ATOM 0 HG23 VAL A 119 -9.007 3.456 9.425 1.00 13.42 H new