USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl -164:sc= 0 (180deg=-0.0678) USER MOD Set 1.2: A 111 MET CE :methyl 163:sc= -0.275 (180deg=-0.597) USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -2.13! F(o=-2.5,f=-1.7!) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.415 K(o=-1.7,f=-2.5!) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.642 X(o=-0.39,f=-0.88!) USER MOD Set 3.2: A 115 SER OG : rot -107:sc= 0.254 USER MOD Set 4.1: A 26 GLN : amide:sc= 0 K(o=-0.57,f=-2.1) USER MOD Set 4.2: A 27 HIS :FLIP no HD1:sc= -0.575 F(o=-1.4,f=-0.57) USER MOD Set 5.1: A 5 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0) USER MOD Set 5.2: A 6 THR OG1 : rot 180:sc= 0.203 USER MOD Set 5.3: A 9 GLN : amide:sc= 0.755 K(o=2,f=-5.8) USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0803 (180deg=0) USER MOD Single : A 3 MET CE :methyl -124:sc= 0 (180deg=-0.01) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.66) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00629 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0247) USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.768) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 1.75 (180deg=1.15) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 59 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.825 K(o=0.83,f=-0.031) USER MOD Single : A 77 GLN : amide:sc=-0.000391 X(o=-0.00039,f=-0.39) USER MOD Single : A 84 ASN : amide:sc= 1.5 K(o=1.5,f=-1.4!) USER MOD Single : A 86 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=-0.0047) USER MOD Single : A 87 SER OG : rot 58:sc= 1.09 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 101:sc= 0.0255 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -36:sc= 1.23 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 175:sc= 0.969 USER MOD Single : A 116 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0086) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN :FLIP amide:sc= 0.472 F(o=-0.28,f=0.47) USER MOD Single : B 183 MET CE :methyl -173:sc= 0 (180deg=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.303 -27.785 -5.668 1.00 2.00 N ATOM 2 CA GLY A 1 -9.189 -26.997 -6.211 1.00 65.35 C ATOM 3 C GLY A 1 -9.152 -25.629 -5.561 1.00 14.43 C ATOM 4 O GLY A 1 -10.188 -25.133 -5.108 1.00 3.31 O ATOM 0 H1 GLY A 1 -10.712 -28.373 -6.422 1.00 2.00 H new ATOM 0 H2 GLY A 1 -9.955 -28.397 -4.903 1.00 2.00 H new ATOM 0 H3 GLY A 1 -11.032 -27.144 -5.294 1.00 2.00 H new ATOM 0 HA2 GLY A 1 -8.247 -27.517 -6.036 1.00 65.35 H new ATOM 0 HA3 GLY A 1 -9.300 -26.892 -7.290 1.00 65.35 H new ATOM 8 N ALA A 2 -7.970 -25.017 -5.489 1.00 1.43 N ATOM 9 CA ALA A 2 -7.778 -23.703 -4.891 1.00 4.30 C ATOM 10 C ALA A 2 -6.815 -22.877 -5.744 1.00 64.13 C ATOM 11 O ALA A 2 -6.164 -23.409 -6.644 1.00 21.33 O ATOM 12 CB ALA A 2 -7.256 -23.879 -3.465 1.00 74.54 C ATOM 0 H ALA A 2 -7.110 -25.429 -5.850 1.00 1.43 H new ATOM 0 HA ALA A 2 -8.725 -23.165 -4.851 1.00 4.30 H new ATOM 0 HB1 ALA A 2 -7.109 -22.900 -3.008 1.00 74.54 H new ATOM 0 HB2 ALA A 2 -7.979 -24.447 -2.880 1.00 74.54 H new ATOM 0 HB3 ALA A 2 -6.307 -24.415 -3.488 1.00 74.54 H new ATOM 18 N MET A 3 -6.740 -21.576 -5.475 1.00 72.14 N ATOM 19 CA MET A 3 -5.898 -20.601 -6.163 1.00 65.41 C ATOM 20 C MET A 3 -5.823 -19.362 -5.259 1.00 61.15 C ATOM 21 O MET A 3 -6.625 -19.255 -4.324 1.00 53.42 O ATOM 22 CB MET A 3 -6.574 -20.287 -7.515 1.00 53.05 C ATOM 23 CG MET A 3 -5.753 -19.411 -8.464 1.00 24.13 C ATOM 24 SD MET A 3 -6.462 -19.242 -10.126 1.00 54.42 S ATOM 25 CE MET A 3 -5.973 -20.833 -10.837 1.00 25.33 C ATOM 0 H MET A 3 -7.294 -21.151 -4.732 1.00 72.14 H new ATOM 0 HA MET A 3 -4.887 -20.960 -6.356 1.00 65.41 H new ATOM 0 HB2 MET A 3 -6.800 -21.227 -8.018 1.00 53.05 H new ATOM 0 HB3 MET A 3 -7.526 -19.793 -7.321 1.00 53.05 H new ATOM 0 HG2 MET A 3 -5.647 -18.419 -8.024 1.00 24.13 H new ATOM 0 HG3 MET A 3 -4.750 -19.830 -8.550 1.00 24.13 H new ATOM 0 HE1 MET A 3 -5.402 -20.663 -11.750 1.00 25.33 H new ATOM 0 HE2 MET A 3 -5.359 -21.378 -10.121 1.00 25.33 H new ATOM 0 HE3 MET A 3 -6.864 -21.417 -11.069 1.00 25.33 H new ATOM 35 N GLY A 4 -4.880 -18.441 -5.463 1.00 63.12 N ATOM 36 CA GLY A 4 -4.774 -17.218 -4.672 1.00 12.00 C ATOM 37 C GLY A 4 -5.073 -16.073 -5.626 1.00 53.24 C ATOM 38 O GLY A 4 -4.174 -15.633 -6.336 1.00 45.43 O ATOM 0 H GLY A 4 -4.165 -18.525 -6.186 1.00 63.12 H new ATOM 0 HA2 GLY A 4 -5.480 -17.228 -3.842 1.00 12.00 H new ATOM 0 HA3 GLY A 4 -3.778 -17.117 -4.242 1.00 12.00 H new ATOM 42 N LYS A 5 -6.315 -15.576 -5.642 1.00 62.12 N ATOM 43 CA LYS A 5 -6.707 -14.486 -6.536 1.00 2.13 C ATOM 44 C LYS A 5 -6.394 -13.169 -5.834 1.00 22.44 C ATOM 45 O LYS A 5 -6.932 -12.910 -4.752 1.00 32.51 O ATOM 46 CB LYS A 5 -8.195 -14.591 -6.930 1.00 32.30 C ATOM 47 CG LYS A 5 -8.639 -15.962 -7.475 1.00 24.11 C ATOM 48 CD LYS A 5 -8.050 -16.387 -8.826 1.00 73.43 C ATOM 49 CE LYS A 5 -8.855 -15.855 -10.020 1.00 24.54 C ATOM 50 NZ LYS A 5 -8.211 -16.152 -11.317 1.00 61.15 N ATOM 0 H LYS A 5 -7.067 -15.915 -5.042 1.00 62.12 H new ATOM 0 HA LYS A 5 -6.146 -14.544 -7.468 1.00 2.13 H new ATOM 0 HB2 LYS A 5 -8.802 -14.352 -6.057 1.00 32.30 H new ATOM 0 HB3 LYS A 5 -8.408 -13.833 -7.684 1.00 32.30 H new ATOM 0 HG2 LYS A 5 -8.382 -16.722 -6.737 1.00 24.11 H new ATOM 0 HG3 LYS A 5 -9.725 -15.958 -7.563 1.00 24.11 H new ATOM 0 HD2 LYS A 5 -7.023 -16.029 -8.898 1.00 73.43 H new ATOM 0 HD3 LYS A 5 -8.013 -17.475 -8.875 1.00 73.43 H new ATOM 0 HE2 LYS A 5 -9.853 -16.293 -10.005 1.00 24.54 H new ATOM 0 HE3 LYS A 5 -8.979 -14.777 -9.918 1.00 24.54 H new ATOM 0 HZ1 LYS A 5 -8.874 -15.942 -12.090 1.00 61.15 H new ATOM 0 HZ2 LYS A 5 -7.358 -15.566 -11.423 1.00 61.15 H new ATOM 0 HZ3 LYS A 5 -7.947 -17.157 -11.351 1.00 61.15 H new ATOM 64 N THR A 6 -5.551 -12.343 -6.437 1.00 62.11 N ATOM 65 CA THR A 6 -5.107 -11.038 -5.948 1.00 13.00 C ATOM 66 C THR A 6 -6.287 -10.062 -5.788 1.00 32.42 C ATOM 67 O THR A 6 -7.354 -10.270 -6.374 1.00 63.55 O ATOM 68 CB THR A 6 -4.129 -10.500 -7.018 1.00 14.04 C ATOM 69 OG1 THR A 6 -3.316 -11.545 -7.508 1.00 71.12 O ATOM 70 CG2 THR A 6 -3.172 -9.407 -6.557 1.00 42.25 C ATOM 0 H THR A 6 -5.131 -12.577 -7.336 1.00 62.11 H new ATOM 0 HA THR A 6 -4.642 -11.133 -4.967 1.00 13.00 H new ATOM 0 HB THR A 6 -4.792 -10.070 -7.769 1.00 14.04 H new ATOM 0 HG1 THR A 6 -2.703 -11.192 -8.186 1.00 71.12 H new ATOM 0 HG21 THR A 6 -2.535 -9.107 -7.389 1.00 42.25 H new ATOM 0 HG22 THR A 6 -3.743 -8.546 -6.209 1.00 42.25 H new ATOM 0 HG23 THR A 6 -2.553 -9.785 -5.743 1.00 42.25 H new ATOM 78 N PHE A 7 -6.085 -8.937 -5.088 1.00 74.43 N ATOM 79 CA PHE A 7 -7.097 -7.893 -4.888 1.00 33.42 C ATOM 80 C PHE A 7 -7.597 -7.419 -6.272 1.00 2.00 C ATOM 81 O PHE A 7 -8.794 -7.232 -6.505 1.00 5.22 O ATOM 82 CB PHE A 7 -6.517 -6.731 -4.051 1.00 63.42 C ATOM 83 CG PHE A 7 -5.599 -5.795 -4.813 1.00 23.54 C ATOM 84 CD1 PHE A 7 -4.233 -6.097 -4.957 1.00 71.53 C ATOM 85 CD2 PHE A 7 -6.129 -4.656 -5.446 1.00 22.42 C ATOM 86 CE1 PHE A 7 -3.415 -5.303 -5.773 1.00 34.54 C ATOM 87 CE2 PHE A 7 -5.309 -3.859 -6.259 1.00 2.24 C ATOM 88 CZ PHE A 7 -3.956 -4.191 -6.435 1.00 10.11 C ATOM 0 H PHE A 7 -5.196 -8.724 -4.636 1.00 74.43 H new ATOM 0 HA PHE A 7 -7.944 -8.290 -4.328 1.00 33.42 H new ATOM 0 HB2 PHE A 7 -7.343 -6.151 -3.639 1.00 63.42 H new ATOM 0 HB3 PHE A 7 -5.968 -7.148 -3.207 1.00 63.42 H new ATOM 0 HD1 PHE A 7 -3.812 -6.945 -4.437 1.00 71.53 H new ATOM 0 HD2 PHE A 7 -7.168 -4.395 -5.306 1.00 22.42 H new ATOM 0 HE1 PHE A 7 -2.370 -5.547 -5.892 1.00 34.54 H new ATOM 0 HE2 PHE A 7 -5.719 -2.989 -6.750 1.00 2.24 H new ATOM 0 HZ PHE A 7 -3.332 -3.590 -7.080 1.00 10.11 H new ATOM 98 N LYS A 8 -6.670 -7.310 -7.234 1.00 11.01 N ATOM 99 CA LYS A 8 -6.921 -6.901 -8.611 1.00 63.24 C ATOM 100 C LYS A 8 -7.692 -7.974 -9.391 1.00 13.10 C ATOM 101 O LYS A 8 -8.316 -7.669 -10.397 1.00 22.12 O ATOM 102 CB LYS A 8 -5.567 -6.528 -9.238 1.00 41.13 C ATOM 103 CG LYS A 8 -5.656 -5.983 -10.672 1.00 71.32 C ATOM 104 CD LYS A 8 -4.668 -4.828 -10.892 1.00 65.11 C ATOM 105 CE LYS A 8 -4.439 -4.488 -12.367 1.00 44.15 C ATOM 106 NZ LYS A 8 -5.656 -4.217 -13.159 1.00 32.44 N ATOM 0 H LYS A 8 -5.686 -7.514 -7.060 1.00 11.01 H new ATOM 0 HA LYS A 8 -7.572 -6.028 -8.644 1.00 63.24 H new ATOM 0 HB2 LYS A 8 -5.083 -5.781 -8.609 1.00 41.13 H new ATOM 0 HB3 LYS A 8 -4.926 -7.409 -9.237 1.00 41.13 H new ATOM 0 HG2 LYS A 8 -5.447 -6.784 -11.381 1.00 71.32 H new ATOM 0 HG3 LYS A 8 -6.671 -5.639 -10.870 1.00 71.32 H new ATOM 0 HD2 LYS A 8 -5.038 -3.942 -10.377 1.00 65.11 H new ATOM 0 HD3 LYS A 8 -3.713 -5.086 -10.435 1.00 65.11 H new ATOM 0 HE2 LYS A 8 -3.790 -3.614 -12.423 1.00 44.15 H new ATOM 0 HE3 LYS A 8 -3.902 -5.315 -12.832 1.00 44.15 H new ATOM 0 HZ1 LYS A 8 -5.390 -3.998 -14.140 1.00 32.44 H new ATOM 0 HZ2 LYS A 8 -6.272 -5.055 -13.146 1.00 32.44 H new ATOM 0 HZ3 LYS A 8 -6.164 -3.407 -12.749 1.00 32.44 H new ATOM 120 N GLN A 9 -7.635 -9.243 -8.980 1.00 71.15 N ATOM 121 CA GLN A 9 -8.375 -10.309 -9.647 1.00 24.11 C ATOM 122 C GLN A 9 -9.821 -10.331 -9.145 1.00 34.23 C ATOM 123 O GLN A 9 -10.743 -10.397 -9.953 1.00 73.23 O ATOM 124 CB GLN A 9 -7.720 -11.674 -9.453 1.00 63.25 C ATOM 125 CG GLN A 9 -6.446 -11.770 -10.294 1.00 2.10 C ATOM 126 CD GLN A 9 -5.877 -13.179 -10.236 1.00 13.24 C ATOM 127 OE1 GLN A 9 -6.505 -14.137 -10.661 1.00 13.41 O ATOM 128 NE2 GLN A 9 -4.719 -13.347 -9.642 1.00 63.55 N ATOM 0 H GLN A 9 -7.080 -9.555 -8.183 1.00 71.15 H new ATOM 0 HA GLN A 9 -8.365 -10.100 -10.717 1.00 24.11 H new ATOM 0 HB2 GLN A 9 -7.482 -11.826 -8.400 1.00 63.25 H new ATOM 0 HB3 GLN A 9 -8.415 -12.463 -9.740 1.00 63.25 H new ATOM 0 HG2 GLN A 9 -6.664 -11.501 -11.328 1.00 2.10 H new ATOM 0 HG3 GLN A 9 -5.707 -11.057 -9.928 1.00 2.10 H new ATOM 0 HE21 GLN A 9 -4.204 -12.540 -9.291 1.00 63.55 H new ATOM 0 HE22 GLN A 9 -4.334 -14.285 -9.531 1.00 63.55 H new ATOM 137 N ARG A 10 -10.055 -10.130 -7.836 1.00 72.45 N ATOM 138 CA ARG A 10 -11.417 -10.174 -7.272 1.00 14.30 C ATOM 139 C ARG A 10 -12.261 -8.935 -7.612 1.00 51.21 C ATOM 140 O ARG A 10 -13.428 -8.869 -7.220 1.00 31.33 O ATOM 141 CB ARG A 10 -11.375 -10.446 -5.746 1.00 63.53 C ATOM 142 CG ARG A 10 -10.671 -9.355 -4.921 1.00 12.02 C ATOM 143 CD ARG A 10 -10.836 -9.482 -3.396 1.00 34.42 C ATOM 144 NE ARG A 10 -10.035 -10.559 -2.794 1.00 64.31 N ATOM 145 CZ ARG A 10 -9.506 -10.576 -1.560 1.00 31.32 C ATOM 146 NH1 ARG A 10 -9.682 -9.586 -0.686 1.00 73.15 N ATOM 147 NH2 ARG A 10 -8.781 -11.629 -1.215 1.00 63.33 N ATOM 0 H ARG A 10 -9.324 -9.937 -7.152 1.00 72.45 H new ATOM 0 HA ARG A 10 -11.925 -11.010 -7.753 1.00 14.30 H new ATOM 0 HB2 ARG A 10 -12.396 -10.557 -5.382 1.00 63.53 H new ATOM 0 HB3 ARG A 10 -10.870 -11.396 -5.573 1.00 63.53 H new ATOM 0 HG2 ARG A 10 -9.607 -9.371 -5.158 1.00 12.02 H new ATOM 0 HG3 ARG A 10 -11.052 -8.383 -5.233 1.00 12.02 H new ATOM 0 HD2 ARG A 10 -10.560 -8.535 -2.931 1.00 34.42 H new ATOM 0 HD3 ARG A 10 -11.888 -9.655 -3.168 1.00 34.42 H new ATOM 0 HE ARG A 10 -9.863 -11.379 -3.375 1.00 64.31 H new ATOM 0 HH11 ARG A 10 -10.238 -8.771 -0.944 1.00 73.15 H new ATOM 0 HH12 ARG A 10 -9.260 -9.643 0.241 1.00 73.15 H new ATOM 0 HH21 ARG A 10 -8.641 -12.391 -1.878 1.00 63.33 H new ATOM 0 HH22 ARG A 10 -8.363 -11.678 -0.286 1.00 63.33 H new ATOM 161 N ARG A 11 -11.684 -7.950 -8.309 1.00 74.12 N ATOM 162 CA ARG A 11 -12.319 -6.716 -8.758 1.00 23.12 C ATOM 163 C ARG A 11 -11.609 -6.358 -10.068 1.00 52.14 C ATOM 164 O ARG A 11 -10.463 -5.904 -10.008 1.00 63.31 O ATOM 165 CB ARG A 11 -12.119 -5.608 -7.706 1.00 33.53 C ATOM 166 CG ARG A 11 -13.263 -5.361 -6.715 1.00 34.21 C ATOM 167 CD ARG A 11 -13.075 -6.048 -5.356 1.00 54.42 C ATOM 168 NE ARG A 11 -13.874 -5.402 -4.302 1.00 24.43 N ATOM 169 CZ ARG A 11 -15.205 -5.319 -4.217 1.00 43.33 C ATOM 170 NH1 ARG A 11 -15.989 -5.878 -5.134 1.00 3.00 N ATOM 171 NH2 ARG A 11 -15.741 -4.678 -3.189 1.00 72.53 N ATOM 0 H ARG A 11 -10.704 -8.000 -8.589 1.00 74.12 H new ATOM 0 HA ARG A 11 -13.394 -6.827 -8.900 1.00 23.12 H new ATOM 0 HB2 ARG A 11 -11.223 -5.845 -7.133 1.00 33.53 H new ATOM 0 HB3 ARG A 11 -11.923 -4.674 -8.233 1.00 33.53 H new ATOM 0 HG2 ARG A 11 -13.366 -4.288 -6.556 1.00 34.21 H new ATOM 0 HG3 ARG A 11 -14.196 -5.708 -7.160 1.00 34.21 H new ATOM 0 HD2 ARG A 11 -13.360 -7.097 -5.437 1.00 54.42 H new ATOM 0 HD3 ARG A 11 -12.021 -6.024 -5.079 1.00 54.42 H new ATOM 0 HE ARG A 11 -13.348 -4.965 -3.545 1.00 24.43 H new ATOM 0 HH11 ARG A 11 -15.576 -6.381 -5.920 1.00 3.00 H new ATOM 0 HH12 ARG A 11 -17.003 -5.804 -5.052 1.00 3.00 H new ATOM 0 HH21 ARG A 11 -15.140 -4.258 -2.480 1.00 72.53 H new ATOM 0 HH22 ARG A 11 -16.755 -4.604 -3.107 1.00 72.53 H new ATOM 185 N THR A 12 -12.279 -6.558 -11.209 1.00 14.32 N ATOM 186 CA THR A 12 -11.803 -6.297 -12.578 1.00 34.11 C ATOM 187 C THR A 12 -11.538 -4.802 -12.793 1.00 43.12 C ATOM 188 O THR A 12 -11.913 -4.020 -11.931 1.00 54.44 O ATOM 189 CB THR A 12 -12.825 -6.871 -13.584 1.00 2.04 C ATOM 190 OG1 THR A 12 -12.185 -7.192 -14.803 1.00 13.03 O ATOM 191 CG2 THR A 12 -14.017 -5.947 -13.862 1.00 5.20 C ATOM 0 H THR A 12 -13.229 -6.930 -11.203 1.00 14.32 H new ATOM 0 HA THR A 12 -10.849 -6.798 -12.740 1.00 34.11 H new ATOM 0 HB THR A 12 -13.229 -7.767 -13.113 1.00 2.04 H new ATOM 0 HG1 THR A 12 -12.843 -7.556 -15.432 1.00 13.03 H new ATOM 0 HG21 THR A 12 -14.687 -6.423 -14.578 1.00 5.20 H new ATOM 0 HG22 THR A 12 -14.554 -5.757 -12.933 1.00 5.20 H new ATOM 0 HG23 THR A 12 -13.658 -5.004 -14.273 1.00 5.20 H new ATOM 199 N PHE A 13 -10.926 -4.378 -13.912 1.00 50.04 N ATOM 200 CA PHE A 13 -10.629 -2.965 -14.195 1.00 24.10 C ATOM 201 C PHE A 13 -11.807 -2.038 -13.897 1.00 73.11 C ATOM 202 O PHE A 13 -11.608 -1.053 -13.196 1.00 45.34 O ATOM 203 CB PHE A 13 -10.143 -2.762 -15.640 1.00 32.43 C ATOM 204 CG PHE A 13 -9.638 -1.361 -15.991 1.00 22.44 C ATOM 205 CD1 PHE A 13 -10.507 -0.248 -16.023 1.00 71.13 C ATOM 206 CD2 PHE A 13 -8.282 -1.164 -16.319 1.00 41.02 C ATOM 207 CE1 PHE A 13 -10.026 1.039 -16.316 1.00 53.45 C ATOM 208 CE2 PHE A 13 -7.811 0.119 -16.650 1.00 2.21 C ATOM 209 CZ PHE A 13 -8.672 1.227 -16.630 1.00 22.32 C ATOM 0 H PHE A 13 -10.622 -5.012 -14.651 1.00 50.04 H new ATOM 0 HA PHE A 13 -9.821 -2.692 -13.516 1.00 24.10 H new ATOM 0 HB2 PHE A 13 -9.341 -3.474 -15.835 1.00 32.43 H new ATOM 0 HB3 PHE A 13 -10.962 -3.010 -16.315 1.00 32.43 H new ATOM 0 HD1 PHE A 13 -11.558 -0.389 -15.819 1.00 71.13 H new ATOM 0 HD2 PHE A 13 -7.601 -2.002 -16.316 1.00 41.02 H new ATOM 0 HE1 PHE A 13 -10.699 1.884 -16.299 1.00 53.45 H new ATOM 0 HE2 PHE A 13 -6.775 0.253 -16.923 1.00 2.21 H new ATOM 0 HZ PHE A 13 -8.296 2.214 -16.854 1.00 22.32 H new ATOM 219 N GLU A 14 -13.020 -2.341 -14.380 1.00 63.41 N ATOM 220 CA GLU A 14 -14.208 -1.505 -14.147 1.00 71.44 C ATOM 221 C GLU A 14 -14.373 -1.252 -12.639 1.00 33.44 C ATOM 222 O GLU A 14 -14.590 -0.135 -12.162 1.00 50.35 O ATOM 223 CB GLU A 14 -15.469 -2.210 -14.691 1.00 34.22 C ATOM 224 CG GLU A 14 -15.481 -2.465 -16.203 1.00 65.51 C ATOM 225 CD GLU A 14 -16.779 -3.153 -16.649 1.00 4.23 C ATOM 226 OE1 GLU A 14 -16.905 -4.392 -16.524 1.00 34.21 O ATOM 227 OE2 GLU A 14 -17.678 -2.475 -17.201 1.00 23.30 O ATOM 0 H GLU A 14 -13.206 -3.171 -14.943 1.00 63.41 H new ATOM 0 HA GLU A 14 -14.079 -0.555 -14.666 1.00 71.44 H new ATOM 0 HB2 GLU A 14 -15.580 -3.165 -14.178 1.00 34.22 H new ATOM 0 HB3 GLU A 14 -16.340 -1.607 -14.435 1.00 34.22 H new ATOM 0 HG2 GLU A 14 -15.369 -1.519 -16.733 1.00 65.51 H new ATOM 0 HG3 GLU A 14 -14.627 -3.086 -16.475 1.00 65.51 H new ATOM 234 N GLN A 15 -14.269 -2.341 -11.884 1.00 70.14 N ATOM 235 CA GLN A 15 -14.376 -2.385 -10.445 1.00 22.44 C ATOM 236 C GLN A 15 -13.151 -1.748 -9.776 1.00 44.05 C ATOM 237 O GLN A 15 -13.248 -1.237 -8.671 1.00 25.33 O ATOM 238 CB GLN A 15 -14.633 -3.842 -10.032 1.00 45.12 C ATOM 239 CG GLN A 15 -15.593 -3.944 -8.846 1.00 44.05 C ATOM 240 CD GLN A 15 -16.958 -3.304 -9.100 1.00 12.22 C ATOM 241 OE1 GLN A 15 -17.426 -3.213 -10.232 1.00 30.12 O ATOM 242 NE2 GLN A 15 -17.635 -2.867 -8.057 1.00 33.34 N ATOM 0 H GLN A 15 -14.099 -3.261 -12.289 1.00 70.14 H new ATOM 0 HA GLN A 15 -15.217 -1.785 -10.097 1.00 22.44 H new ATOM 0 HB2 GLN A 15 -15.045 -4.391 -10.879 1.00 45.12 H new ATOM 0 HB3 GLN A 15 -13.687 -4.317 -9.774 1.00 45.12 H new ATOM 0 HG2 GLN A 15 -15.736 -4.995 -8.596 1.00 44.05 H new ATOM 0 HG3 GLN A 15 -15.135 -3.469 -7.978 1.00 44.05 H new ATOM 0 HE21 GLN A 15 -17.238 -2.947 -7.121 1.00 33.34 H new ATOM 0 HE22 GLN A 15 -18.556 -2.449 -8.186 1.00 33.34 H new ATOM 251 N ARG A 16 -11.975 -1.800 -10.403 1.00 52.25 N ATOM 252 CA ARG A 16 -10.733 -1.219 -9.911 1.00 43.31 C ATOM 253 C ARG A 16 -10.928 0.293 -9.888 1.00 54.33 C ATOM 254 O ARG A 16 -10.700 0.934 -8.868 1.00 13.44 O ATOM 255 CB ARG A 16 -9.564 -1.624 -10.833 1.00 45.42 C ATOM 256 CG ARG A 16 -8.193 -1.605 -10.142 1.00 62.35 C ATOM 257 CD ARG A 16 -7.735 -3.014 -9.733 1.00 5.14 C ATOM 258 NE ARG A 16 -8.620 -3.687 -8.769 1.00 61.12 N ATOM 259 CZ ARG A 16 -8.825 -3.321 -7.497 1.00 65.25 C ATOM 260 NH1 ARG A 16 -8.371 -2.167 -7.025 1.00 74.53 N ATOM 261 NH2 ARG A 16 -9.484 -4.136 -6.689 1.00 31.32 N ATOM 0 H ARG A 16 -11.861 -2.267 -11.303 1.00 52.25 H new ATOM 0 HA ARG A 16 -10.491 -1.578 -8.911 1.00 43.31 H new ATOM 0 HB2 ARG A 16 -9.750 -2.625 -11.222 1.00 45.42 H new ATOM 0 HB3 ARG A 16 -9.538 -0.949 -11.689 1.00 45.42 H new ATOM 0 HG2 ARG A 16 -7.455 -1.164 -10.812 1.00 62.35 H new ATOM 0 HG3 ARG A 16 -8.241 -0.969 -9.258 1.00 62.35 H new ATOM 0 HD2 ARG A 16 -7.657 -3.631 -10.628 1.00 5.14 H new ATOM 0 HD3 ARG A 16 -6.735 -2.947 -9.304 1.00 5.14 H new ATOM 0 HE ARG A 16 -9.125 -4.509 -9.101 1.00 61.12 H new ATOM 0 HH11 ARG A 16 -7.852 -1.535 -7.635 1.00 74.53 H new ATOM 0 HH12 ARG A 16 -8.541 -1.912 -6.052 1.00 74.53 H new ATOM 0 HH21 ARG A 16 -9.829 -5.031 -7.037 1.00 31.32 H new ATOM 0 HH22 ARG A 16 -9.647 -3.870 -5.718 1.00 31.32 H new ATOM 275 N VAL A 17 -11.392 0.867 -10.999 1.00 74.15 N ATOM 276 CA VAL A 17 -11.622 2.299 -11.059 1.00 54.15 C ATOM 277 C VAL A 17 -12.780 2.660 -10.113 1.00 72.22 C ATOM 278 O VAL A 17 -12.723 3.736 -9.514 1.00 14.13 O ATOM 279 CB VAL A 17 -11.687 2.798 -12.516 1.00 21.12 C ATOM 280 CG1 VAL A 17 -10.346 2.492 -13.205 1.00 43.14 C ATOM 281 CG2 VAL A 17 -12.838 2.219 -13.345 1.00 10.14 C ATOM 0 H VAL A 17 -11.612 0.363 -11.858 1.00 74.15 H new ATOM 0 HA VAL A 17 -10.776 2.868 -10.675 1.00 54.15 H new ATOM 0 HB VAL A 17 -11.880 3.869 -12.464 1.00 21.12 H new ATOM 0 HG11 VAL A 17 -10.379 2.841 -14.237 1.00 43.14 H new ATOM 0 HG12 VAL A 17 -9.541 3.001 -12.676 1.00 43.14 H new ATOM 0 HG13 VAL A 17 -10.167 1.417 -13.191 1.00 43.14 H new ATOM 0 HG21 VAL A 17 -12.801 2.628 -14.355 1.00 10.14 H new ATOM 0 HG22 VAL A 17 -12.744 1.134 -13.390 1.00 10.14 H new ATOM 0 HG23 VAL A 17 -13.789 2.482 -12.881 1.00 10.14 H new ATOM 291 N GLU A 18 -13.775 1.773 -9.911 1.00 64.33 N ATOM 292 CA GLU A 18 -14.880 2.019 -8.972 1.00 1.21 C ATOM 293 C GLU A 18 -14.303 2.063 -7.549 1.00 51.11 C ATOM 294 O GLU A 18 -14.669 2.925 -6.760 1.00 10.11 O ATOM 295 CB GLU A 18 -15.962 0.926 -9.081 1.00 5.01 C ATOM 296 CG GLU A 18 -17.182 1.114 -8.152 1.00 5.34 C ATOM 297 CD GLU A 18 -17.043 0.627 -6.692 1.00 22.10 C ATOM 298 OE1 GLU A 18 -16.259 -0.304 -6.396 1.00 31.20 O ATOM 299 OE2 GLU A 18 -17.811 1.120 -5.832 1.00 53.22 O ATOM 0 H GLU A 18 -13.833 0.875 -10.391 1.00 64.33 H new ATOM 0 HA GLU A 18 -15.356 2.969 -9.215 1.00 1.21 H new ATOM 0 HB2 GLU A 18 -16.313 0.886 -10.112 1.00 5.01 H new ATOM 0 HB3 GLU A 18 -15.504 -0.039 -8.863 1.00 5.01 H new ATOM 0 HG2 GLU A 18 -17.430 2.175 -8.131 1.00 5.34 H new ATOM 0 HG3 GLU A 18 -18.030 0.597 -8.601 1.00 5.34 H new ATOM 306 N ASP A 19 -13.351 1.185 -7.241 1.00 5.13 N ATOM 307 CA ASP A 19 -12.685 1.087 -5.948 1.00 61.24 C ATOM 308 C ASP A 19 -11.922 2.375 -5.652 1.00 2.13 C ATOM 309 O ASP A 19 -12.023 2.912 -4.550 1.00 23.30 O ATOM 310 CB ASP A 19 -11.781 -0.161 -5.965 1.00 50.22 C ATOM 311 CG ASP A 19 -10.846 -0.358 -4.779 1.00 63.55 C ATOM 312 OD1 ASP A 19 -11.242 -0.129 -3.625 1.00 50.35 O ATOM 313 OD2 ASP A 19 -9.821 -1.069 -4.944 1.00 73.42 O ATOM 0 H ASP A 19 -13.011 0.497 -7.912 1.00 5.13 H new ATOM 0 HA ASP A 19 -13.408 0.971 -5.140 1.00 61.24 H new ATOM 0 HB2 ASP A 19 -12.420 -1.041 -6.041 1.00 50.22 H new ATOM 0 HB3 ASP A 19 -11.176 -0.128 -6.871 1.00 50.22 H new ATOM 318 N VAL A 20 -11.188 2.908 -6.635 1.00 2.40 N ATOM 319 CA VAL A 20 -10.430 4.144 -6.465 1.00 21.40 C ATOM 320 C VAL A 20 -11.379 5.321 -6.255 1.00 32.31 C ATOM 321 O VAL A 20 -11.298 5.970 -5.213 1.00 71.22 O ATOM 322 CB VAL A 20 -9.448 4.386 -7.627 1.00 4.13 C ATOM 323 CG1 VAL A 20 -8.654 5.686 -7.455 1.00 23.14 C ATOM 324 CG2 VAL A 20 -8.390 3.290 -7.623 1.00 53.04 C ATOM 0 H VAL A 20 -11.105 2.495 -7.564 1.00 2.40 H new ATOM 0 HA VAL A 20 -9.816 4.045 -5.570 1.00 21.40 H new ATOM 0 HB VAL A 20 -10.049 4.416 -8.536 1.00 4.13 H new ATOM 0 HG11 VAL A 20 -7.976 5.812 -8.299 1.00 23.14 H new ATOM 0 HG12 VAL A 20 -9.342 6.530 -7.413 1.00 23.14 H new ATOM 0 HG13 VAL A 20 -8.079 5.641 -6.530 1.00 23.14 H new ATOM 0 HG21 VAL A 20 -7.692 3.455 -8.443 1.00 53.04 H new ATOM 0 HG22 VAL A 20 -7.849 3.310 -6.677 1.00 53.04 H new ATOM 0 HG23 VAL A 20 -8.871 2.320 -7.746 1.00 53.04 H new ATOM 334 N ARG A 21 -12.277 5.619 -7.200 1.00 43.33 N ATOM 335 CA ARG A 21 -13.198 6.754 -7.061 1.00 34.14 C ATOM 336 C ARG A 21 -14.008 6.671 -5.768 1.00 70.53 C ATOM 337 O ARG A 21 -14.260 7.707 -5.147 1.00 2.11 O ATOM 338 CB ARG A 21 -14.092 6.892 -8.308 1.00 3.41 C ATOM 339 CG ARG A 21 -15.037 5.700 -8.537 1.00 23.10 C ATOM 340 CD ARG A 21 -16.478 5.929 -8.072 1.00 70.51 C ATOM 341 NE ARG A 21 -17.203 6.676 -9.108 1.00 73.33 N ATOM 342 CZ ARG A 21 -17.818 6.123 -10.156 1.00 12.30 C ATOM 343 NH1 ARG A 21 -18.361 4.921 -10.052 1.00 53.01 N ATOM 344 NH2 ARG A 21 -17.854 6.786 -11.300 1.00 65.45 N ATOM 0 H ARG A 21 -12.386 5.093 -8.067 1.00 43.33 H new ATOM 0 HA ARG A 21 -12.602 7.664 -6.990 1.00 34.14 H new ATOM 0 HB2 ARG A 21 -14.686 7.801 -8.217 1.00 3.41 H new ATOM 0 HB3 ARG A 21 -13.457 7.013 -9.186 1.00 3.41 H new ATOM 0 HG2 ARG A 21 -15.046 5.460 -9.600 1.00 23.10 H new ATOM 0 HG3 ARG A 21 -14.636 4.830 -8.017 1.00 23.10 H new ATOM 0 HD2 ARG A 21 -16.969 4.974 -7.884 1.00 70.51 H new ATOM 0 HD3 ARG A 21 -16.487 6.483 -7.133 1.00 70.51 H new ATOM 0 HE ARG A 21 -17.239 7.692 -9.020 1.00 73.33 H new ATOM 0 HH11 ARG A 21 -18.311 4.413 -9.169 1.00 53.01 H new ATOM 0 HH12 ARG A 21 -18.830 4.502 -10.855 1.00 53.01 H new ATOM 0 HH21 ARG A 21 -17.416 7.705 -11.371 1.00 65.45 H new ATOM 0 HH22 ARG A 21 -18.320 6.379 -12.111 1.00 65.45 H new ATOM 358 N LEU A 22 -14.402 5.460 -5.354 1.00 50.23 N ATOM 359 CA LEU A 22 -15.163 5.240 -4.138 1.00 12.34 C ATOM 360 C LEU A 22 -14.341 5.734 -2.957 1.00 31.30 C ATOM 361 O LEU A 22 -14.829 6.600 -2.226 1.00 74.52 O ATOM 362 CB LEU A 22 -15.503 3.749 -3.990 1.00 32.43 C ATOM 363 CG LEU A 22 -16.034 3.344 -2.604 1.00 53.21 C ATOM 364 CD1 LEU A 22 -17.356 4.045 -2.265 1.00 71.14 C ATOM 365 CD2 LEU A 22 -16.208 1.830 -2.575 1.00 73.34 C ATOM 0 H LEU A 22 -14.194 4.603 -5.866 1.00 50.23 H new ATOM 0 HA LEU A 22 -16.103 5.791 -4.177 1.00 12.34 H new ATOM 0 HB2 LEU A 22 -16.248 3.484 -4.741 1.00 32.43 H new ATOM 0 HB3 LEU A 22 -14.610 3.164 -4.207 1.00 32.43 H new ATOM 0 HG LEU A 22 -15.313 3.656 -1.848 1.00 53.21 H new ATOM 0 HD11 LEU A 22 -17.693 3.729 -1.278 1.00 71.14 H new ATOM 0 HD12 LEU A 22 -17.207 5.125 -2.269 1.00 71.14 H new ATOM 0 HD13 LEU A 22 -18.109 3.780 -3.007 1.00 71.14 H new ATOM 0 HD21 LEU A 22 -16.584 1.526 -1.598 1.00 73.34 H new ATOM 0 HD22 LEU A 22 -16.917 1.530 -3.347 1.00 73.34 H new ATOM 0 HD23 LEU A 22 -15.247 1.350 -2.759 1.00 73.34 H new ATOM 377 N ILE A 23 -13.106 5.235 -2.786 1.00 22.30 N ATOM 378 CA ILE A 23 -12.266 5.663 -1.672 1.00 13.12 C ATOM 379 C ILE A 23 -11.985 7.154 -1.758 1.00 41.33 C ATOM 380 O ILE A 23 -12.088 7.854 -0.758 1.00 54.04 O ATOM 381 CB ILE A 23 -11.007 4.800 -1.486 1.00 30.43 C ATOM 382 CG1 ILE A 23 -10.345 5.139 -0.135 1.00 62.51 C ATOM 383 CG2 ILE A 23 -9.976 4.795 -2.618 1.00 22.10 C ATOM 384 CD1 ILE A 23 -9.242 6.213 -0.154 1.00 62.31 C ATOM 0 H ILE A 23 -12.677 4.543 -3.401 1.00 22.30 H new ATOM 0 HA ILE A 23 -12.829 5.497 -0.753 1.00 13.12 H new ATOM 0 HB ILE A 23 -11.381 3.776 -1.507 1.00 30.43 H new ATOM 0 HG12 ILE A 23 -11.125 5.465 0.553 1.00 62.51 H new ATOM 0 HG13 ILE A 23 -9.920 4.223 0.275 1.00 62.51 H new ATOM 0 HG21 ILE A 23 -9.144 4.145 -2.349 1.00 22.10 H new ATOM 0 HG22 ILE A 23 -10.442 4.429 -3.533 1.00 22.10 H new ATOM 0 HG23 ILE A 23 -9.608 5.808 -2.779 1.00 22.10 H new ATOM 0 HD11 ILE A 23 -8.858 6.359 0.856 1.00 62.31 H new ATOM 0 HD12 ILE A 23 -8.431 5.890 -0.807 1.00 62.31 H new ATOM 0 HD13 ILE A 23 -9.654 7.152 -0.524 1.00 62.31 H new ATOM 396 N ARG A 24 -11.686 7.662 -2.951 1.00 43.42 N ATOM 397 CA ARG A 24 -11.397 9.081 -3.140 1.00 22.30 C ATOM 398 C ARG A 24 -12.600 9.949 -2.765 1.00 23.32 C ATOM 399 O ARG A 24 -12.401 11.108 -2.414 1.00 73.45 O ATOM 400 CB ARG A 24 -10.977 9.372 -4.589 1.00 64.55 C ATOM 401 CG ARG A 24 -9.806 8.531 -5.137 1.00 30.43 C ATOM 402 CD ARG A 24 -8.605 9.361 -5.562 1.00 13.21 C ATOM 403 NE ARG A 24 -7.863 9.864 -4.396 1.00 23.34 N ATOM 404 CZ ARG A 24 -7.289 11.066 -4.292 1.00 51.03 C ATOM 405 NH1 ARG A 24 -7.265 11.903 -5.325 1.00 52.35 N ATOM 406 NH2 ARG A 24 -6.753 11.411 -3.129 1.00 52.14 N ATOM 0 H ARG A 24 -11.637 7.108 -3.806 1.00 43.42 H new ATOM 0 HA ARG A 24 -10.569 9.332 -2.477 1.00 22.30 H new ATOM 0 HB2 ARG A 24 -11.842 9.218 -5.235 1.00 64.55 H new ATOM 0 HB3 ARG A 24 -10.707 10.425 -4.663 1.00 64.55 H new ATOM 0 HG2 ARG A 24 -9.493 7.819 -4.373 1.00 30.43 H new ATOM 0 HG3 ARG A 24 -10.155 7.950 -5.990 1.00 30.43 H new ATOM 0 HD2 ARG A 24 -7.944 8.756 -6.183 1.00 13.21 H new ATOM 0 HD3 ARG A 24 -8.938 10.200 -6.173 1.00 13.21 H new ATOM 0 HE ARG A 24 -7.779 9.239 -3.594 1.00 23.34 H new ATOM 0 HH11 ARG A 24 -7.689 11.631 -6.212 1.00 52.35 H new ATOM 0 HH12 ARG A 24 -6.823 12.817 -5.230 1.00 52.35 H new ATOM 0 HH21 ARG A 24 -6.785 10.764 -2.341 1.00 52.14 H new ATOM 0 HH22 ARG A 24 -6.309 12.323 -3.023 1.00 52.14 H new ATOM 420 N GLU A 25 -13.833 9.451 -2.858 1.00 34.34 N ATOM 421 CA GLU A 25 -15.009 10.237 -2.501 1.00 50.22 C ATOM 422 C GLU A 25 -15.201 10.259 -0.985 1.00 72.55 C ATOM 423 O GLU A 25 -15.427 11.320 -0.406 1.00 1.21 O ATOM 424 CB GLU A 25 -16.259 9.697 -3.214 1.00 61.55 C ATOM 425 CG GLU A 25 -17.428 10.696 -3.176 1.00 25.34 C ATOM 426 CD GLU A 25 -17.137 12.034 -3.874 1.00 31.50 C ATOM 427 OE1 GLU A 25 -16.214 12.105 -4.718 1.00 12.03 O ATOM 428 OE2 GLU A 25 -17.902 13.004 -3.638 1.00 25.50 O ATOM 0 H GLU A 25 -14.041 8.505 -3.178 1.00 34.34 H new ATOM 0 HA GLU A 25 -14.853 11.263 -2.833 1.00 50.22 H new ATOM 0 HB2 GLU A 25 -16.013 9.468 -4.251 1.00 61.55 H new ATOM 0 HB3 GLU A 25 -16.567 8.762 -2.745 1.00 61.55 H new ATOM 0 HG2 GLU A 25 -18.299 10.237 -3.644 1.00 25.34 H new ATOM 0 HG3 GLU A 25 -17.691 10.891 -2.136 1.00 25.34 H new ATOM 435 N GLN A 26 -15.132 9.093 -0.334 1.00 42.25 N ATOM 436 CA GLN A 26 -15.305 8.991 1.116 1.00 44.44 C ATOM 437 C GLN A 26 -14.122 9.596 1.878 1.00 42.03 C ATOM 438 O GLN A 26 -14.309 10.260 2.897 1.00 42.04 O ATOM 439 CB GLN A 26 -15.553 7.531 1.534 1.00 31.34 C ATOM 440 CG GLN A 26 -14.452 6.548 1.139 1.00 73.22 C ATOM 441 CD GLN A 26 -14.795 5.083 1.399 1.00 5.22 C ATOM 442 OE1 GLN A 26 -14.102 4.393 2.133 1.00 53.32 O ATOM 443 NE2 GLN A 26 -15.837 4.551 0.786 1.00 52.03 N ATOM 0 H GLN A 26 -14.956 8.200 -0.795 1.00 42.25 H new ATOM 0 HA GLN A 26 -16.185 9.575 1.383 1.00 44.44 H new ATOM 0 HB2 GLN A 26 -15.679 7.496 2.616 1.00 31.34 H new ATOM 0 HB3 GLN A 26 -16.492 7.197 1.092 1.00 31.34 H new ATOM 0 HG2 GLN A 26 -14.231 6.675 0.079 1.00 73.22 H new ATOM 0 HG3 GLN A 26 -13.543 6.799 1.686 1.00 73.22 H new ATOM 0 HE21 GLN A 26 -16.416 5.125 0.173 1.00 52.03 H new ATOM 0 HE22 GLN A 26 -16.063 3.566 0.925 1.00 52.03 H new ATOM 452 N HIS A 27 -12.910 9.431 1.351 1.00 42.45 N ATOM 453 CA HIS A 27 -11.657 9.891 1.932 1.00 42.04 C ATOM 454 C HIS A 27 -10.854 10.654 0.858 1.00 32.21 C ATOM 455 O HIS A 27 -9.865 10.141 0.328 1.00 62.13 O ATOM 456 CB HIS A 27 -10.925 8.652 2.485 1.00 65.14 C ATOM 457 CG HIS A 27 -11.708 7.816 3.478 1.00 13.04 C ATOM 458 ND1 HIS A 27 -11.829 6.452 3.461 1.00 65.41 N flip ATOM 459 CD2 HIS A 27 -12.471 8.273 4.534 1.00 2.13 C flip ATOM 460 CE1 HIS A 27 -12.669 6.081 4.511 1.00 33.20 C flip ATOM 461 NE2 HIS A 27 -13.044 7.210 5.124 1.00 54.12 N flip ATOM 0 H HIS A 27 -12.772 8.948 0.463 1.00 42.45 H new ATOM 0 HA HIS A 27 -11.807 10.590 2.755 1.00 42.04 H new ATOM 0 HB2 HIS A 27 -10.641 8.016 1.647 1.00 65.14 H new ATOM 0 HB3 HIS A 27 -10.002 8.981 2.963 1.00 65.14 H new ATOM 0 HD2 HIS A 27 -12.587 9.304 4.834 1.00 2.13 H new ATOM 0 HE1 HIS A 27 -12.961 5.076 4.778 1.00 33.20 H new ATOM 0 HE2 HIS A 27 -13.674 7.257 5.924 1.00 54.12 H new ATOM 469 N PRO A 28 -11.225 11.908 0.536 1.00 25.32 N ATOM 470 CA PRO A 28 -10.553 12.704 -0.491 1.00 62.13 C ATOM 471 C PRO A 28 -9.100 13.059 -0.195 1.00 51.05 C ATOM 472 O PRO A 28 -8.305 13.163 -1.129 1.00 44.21 O ATOM 473 CB PRO A 28 -11.424 13.952 -0.677 1.00 41.05 C ATOM 474 CG PRO A 28 -12.153 14.092 0.657 1.00 21.50 C ATOM 475 CD PRO A 28 -12.354 12.642 1.086 1.00 30.50 C ATOM 0 HA PRO A 28 -10.465 12.113 -1.402 1.00 62.13 H new ATOM 0 HB2 PRO A 28 -10.820 14.832 -0.896 1.00 41.05 H new ATOM 0 HB3 PRO A 28 -12.124 13.831 -1.504 1.00 41.05 H new ATOM 0 HG2 PRO A 28 -11.563 14.651 1.384 1.00 21.50 H new ATOM 0 HG3 PRO A 28 -13.102 14.616 0.546 1.00 21.50 H new ATOM 0 HD2 PRO A 28 -12.385 12.556 2.172 1.00 30.50 H new ATOM 0 HD3 PRO A 28 -13.298 12.249 0.708 1.00 30.50 H new ATOM 483 N THR A 29 -8.720 13.196 1.071 1.00 1.30 N ATOM 484 CA THR A 29 -7.356 13.543 1.448 1.00 32.54 C ATOM 485 C THR A 29 -6.491 12.294 1.689 1.00 33.43 C ATOM 486 O THR A 29 -5.371 12.406 2.199 1.00 51.41 O ATOM 487 CB THR A 29 -7.419 14.548 2.605 1.00 63.22 C ATOM 488 OG1 THR A 29 -8.194 14.009 3.660 1.00 65.55 O ATOM 489 CG2 THR A 29 -8.078 15.856 2.142 1.00 43.02 C ATOM 0 H THR A 29 -9.349 13.069 1.864 1.00 1.30 H new ATOM 0 HA THR A 29 -6.835 14.039 0.629 1.00 32.54 H new ATOM 0 HB THR A 29 -6.402 14.748 2.943 1.00 63.22 H new ATOM 0 HG1 THR A 29 -8.232 14.651 4.399 1.00 65.55 H new ATOM 0 HG21 THR A 29 -8.115 16.559 2.974 1.00 43.02 H new ATOM 0 HG22 THR A 29 -7.496 16.288 1.328 1.00 43.02 H new ATOM 0 HG23 THR A 29 -9.091 15.650 1.795 1.00 43.02 H new ATOM 497 N LYS A 30 -6.989 11.088 1.367 1.00 10.31 N ATOM 498 CA LYS A 30 -6.238 9.848 1.520 1.00 45.11 C ATOM 499 C LYS A 30 -5.874 9.442 0.099 1.00 45.01 C ATOM 500 O LYS A 30 -6.644 9.610 -0.857 1.00 1.24 O ATOM 501 CB LYS A 30 -7.036 8.719 2.200 1.00 23.21 C ATOM 502 CG LYS A 30 -7.219 8.796 3.730 1.00 52.43 C ATOM 503 CD LYS A 30 -5.900 8.884 4.523 1.00 51.02 C ATOM 504 CE LYS A 30 -5.897 8.228 5.920 1.00 41.25 C ATOM 505 NZ LYS A 30 -7.072 8.578 6.757 1.00 21.54 N ATOM 0 H LYS A 30 -7.928 10.954 0.992 1.00 10.31 H new ATOM 0 HA LYS A 30 -5.377 10.010 2.168 1.00 45.11 H new ATOM 0 HB2 LYS A 30 -8.026 8.685 1.744 1.00 23.21 H new ATOM 0 HB3 LYS A 30 -6.546 7.774 1.967 1.00 23.21 H new ATOM 0 HG2 LYS A 30 -7.831 9.666 3.968 1.00 52.43 H new ATOM 0 HG3 LYS A 30 -7.771 7.917 4.063 1.00 52.43 H new ATOM 0 HD2 LYS A 30 -5.111 8.424 3.927 1.00 51.02 H new ATOM 0 HD3 LYS A 30 -5.640 9.936 4.639 1.00 51.02 H new ATOM 0 HE2 LYS A 30 -5.859 7.145 5.801 1.00 41.25 H new ATOM 0 HE3 LYS A 30 -4.989 8.523 6.446 1.00 41.25 H new ATOM 0 HZ1 LYS A 30 -6.997 8.100 7.678 1.00 21.54 H new ATOM 0 HZ2 LYS A 30 -7.100 9.607 6.903 1.00 21.54 H new ATOM 0 HZ3 LYS A 30 -7.943 8.272 6.278 1.00 21.54 H new ATOM 519 N ILE A 31 -4.676 8.904 -0.044 1.00 2.40 N ATOM 520 CA ILE A 31 -4.121 8.456 -1.295 1.00 62.45 C ATOM 521 C ILE A 31 -4.263 6.927 -1.319 1.00 45.34 C ATOM 522 O ILE A 31 -3.810 6.274 -0.366 1.00 11.33 O ATOM 523 CB ILE A 31 -2.644 8.899 -1.409 1.00 31.40 C ATOM 524 CG1 ILE A 31 -2.391 10.399 -1.122 1.00 41.03 C ATOM 525 CG2 ILE A 31 -2.097 8.533 -2.793 1.00 50.04 C ATOM 526 CD1 ILE A 31 -3.255 11.373 -1.926 1.00 52.04 C ATOM 0 H ILE A 31 -4.043 8.765 0.744 1.00 2.40 H new ATOM 0 HA ILE A 31 -4.643 8.891 -2.147 1.00 62.45 H new ATOM 0 HB ILE A 31 -2.114 8.359 -0.625 1.00 31.40 H new ATOM 0 HG12 ILE A 31 -2.558 10.582 -0.061 1.00 41.03 H new ATOM 0 HG13 ILE A 31 -1.342 10.619 -1.322 1.00 41.03 H new ATOM 0 HG21 ILE A 31 -1.056 8.848 -2.868 1.00 50.04 H new ATOM 0 HG22 ILE A 31 -2.161 7.454 -2.936 1.00 50.04 H new ATOM 0 HG23 ILE A 31 -2.684 9.037 -3.561 1.00 50.04 H new ATOM 0 HD11 ILE A 31 -3.001 12.397 -1.651 1.00 52.04 H new ATOM 0 HD12 ILE A 31 -3.073 11.227 -2.991 1.00 52.04 H new ATOM 0 HD13 ILE A 31 -4.307 11.190 -1.709 1.00 52.04 H new ATOM 538 N PRO A 32 -4.893 6.362 -2.368 1.00 62.41 N ATOM 539 CA PRO A 32 -5.060 4.926 -2.541 1.00 32.20 C ATOM 540 C PRO A 32 -3.742 4.363 -3.103 1.00 62.22 C ATOM 541 O PRO A 32 -3.410 4.554 -4.280 1.00 51.41 O ATOM 542 CB PRO A 32 -6.230 4.793 -3.519 1.00 1.11 C ATOM 543 CG PRO A 32 -6.141 6.040 -4.398 1.00 22.40 C ATOM 544 CD PRO A 32 -5.481 7.077 -3.499 1.00 45.41 C ATOM 0 HA PRO A 32 -5.274 4.374 -1.626 1.00 32.20 H new ATOM 0 HB2 PRO A 32 -6.149 3.883 -4.113 1.00 1.11 H new ATOM 0 HB3 PRO A 32 -7.183 4.746 -2.993 1.00 1.11 H new ATOM 0 HG2 PRO A 32 -5.550 5.855 -5.295 1.00 22.40 H new ATOM 0 HG3 PRO A 32 -7.127 6.367 -4.728 1.00 22.40 H new ATOM 0 HD2 PRO A 32 -4.715 7.627 -4.046 1.00 45.41 H new ATOM 0 HD3 PRO A 32 -6.213 7.807 -3.153 1.00 45.41 H new ATOM 552 N VAL A 33 -2.985 3.638 -2.282 1.00 70.43 N ATOM 553 CA VAL A 33 -1.704 3.063 -2.658 1.00 21.10 C ATOM 554 C VAL A 33 -1.781 1.534 -2.456 1.00 72.54 C ATOM 555 O VAL A 33 -2.546 1.052 -1.609 1.00 5.04 O ATOM 556 CB VAL A 33 -0.619 3.760 -1.801 1.00 25.33 C ATOM 557 CG1 VAL A 33 -0.737 5.290 -1.853 1.00 72.41 C ATOM 558 CG2 VAL A 33 -0.618 3.323 -0.329 1.00 41.34 C ATOM 0 H VAL A 33 -3.254 3.432 -1.320 1.00 70.43 H new ATOM 0 HA VAL A 33 -1.448 3.223 -3.705 1.00 21.10 H new ATOM 0 HB VAL A 33 0.322 3.443 -2.251 1.00 25.33 H new ATOM 0 HG11 VAL A 33 0.044 5.736 -1.237 1.00 72.41 H new ATOM 0 HG12 VAL A 33 -0.625 5.629 -2.883 1.00 72.41 H new ATOM 0 HG13 VAL A 33 -1.714 5.593 -1.475 1.00 72.41 H new ATOM 0 HG21 VAL A 33 0.169 3.854 0.208 1.00 41.34 H new ATOM 0 HG22 VAL A 33 -1.584 3.555 0.120 1.00 41.34 H new ATOM 0 HG23 VAL A 33 -0.438 2.250 -0.268 1.00 41.34 H new ATOM 568 N ILE A 34 -1.039 0.761 -3.244 1.00 10.43 N ATOM 569 CA ILE A 34 -0.945 -0.693 -3.194 1.00 30.14 C ATOM 570 C ILE A 34 0.463 -0.960 -2.679 1.00 30.15 C ATOM 571 O ILE A 34 1.408 -0.324 -3.138 1.00 14.15 O ATOM 572 CB ILE A 34 -1.153 -1.343 -4.584 1.00 25.50 C ATOM 573 CG1 ILE A 34 -2.498 -0.976 -5.238 1.00 41.05 C ATOM 574 CG2 ILE A 34 -1.007 -2.878 -4.526 1.00 25.34 C ATOM 575 CD1 ILE A 34 -3.736 -1.387 -4.430 1.00 65.31 C ATOM 0 H ILE A 34 -0.453 1.158 -3.978 1.00 10.43 H new ATOM 0 HA ILE A 34 -1.720 -1.123 -2.560 1.00 30.14 H new ATOM 0 HB ILE A 34 -0.362 -0.930 -5.210 1.00 25.50 H new ATOM 0 HG12 ILE A 34 -2.527 0.102 -5.398 1.00 41.05 H new ATOM 0 HG13 ILE A 34 -2.549 -1.446 -6.220 1.00 41.05 H new ATOM 0 HG21 ILE A 34 -1.160 -3.296 -5.521 1.00 25.34 H new ATOM 0 HG22 ILE A 34 -0.008 -3.135 -4.174 1.00 25.34 H new ATOM 0 HG23 ILE A 34 -1.750 -3.289 -3.842 1.00 25.34 H new ATOM 0 HD11 ILE A 34 -4.636 -1.089 -4.967 1.00 65.31 H new ATOM 0 HD12 ILE A 34 -3.738 -2.468 -4.291 1.00 65.31 H new ATOM 0 HD13 ILE A 34 -3.715 -0.897 -3.457 1.00 65.31 H new ATOM 587 N ILE A 35 0.602 -1.851 -1.704 1.00 50.12 N ATOM 588 CA ILE A 35 1.862 -2.243 -1.102 1.00 3.21 C ATOM 589 C ILE A 35 1.873 -3.755 -1.285 1.00 42.24 C ATOM 590 O ILE A 35 1.088 -4.455 -0.645 1.00 25.55 O ATOM 591 CB ILE A 35 1.931 -1.754 0.365 1.00 22.54 C ATOM 592 CG1 ILE A 35 1.954 -0.205 0.379 1.00 73.52 C ATOM 593 CG2 ILE A 35 3.142 -2.337 1.116 1.00 11.13 C ATOM 594 CD1 ILE A 35 2.101 0.438 1.761 1.00 22.42 C ATOM 0 H ILE A 35 -0.197 -2.338 -1.297 1.00 50.12 H new ATOM 0 HA ILE A 35 2.751 -1.800 -1.551 1.00 3.21 H new ATOM 0 HB ILE A 35 1.046 -2.111 0.892 1.00 22.54 H new ATOM 0 HG12 ILE A 35 2.777 0.135 -0.250 1.00 73.52 H new ATOM 0 HG13 ILE A 35 1.033 0.159 -0.076 1.00 73.52 H new ATOM 0 HG21 ILE A 35 3.148 -1.965 2.141 1.00 11.13 H new ATOM 0 HG22 ILE A 35 3.075 -3.425 1.125 1.00 11.13 H new ATOM 0 HG23 ILE A 35 4.061 -2.034 0.615 1.00 11.13 H new ATOM 0 HD11 ILE A 35 2.106 1.523 1.659 1.00 22.42 H new ATOM 0 HD12 ILE A 35 1.266 0.137 2.393 1.00 22.42 H new ATOM 0 HD13 ILE A 35 3.036 0.112 2.216 1.00 22.42 H new ATOM 606 N GLU A 36 2.753 -4.247 -2.156 1.00 11.21 N ATOM 607 CA GLU A 36 2.883 -5.668 -2.457 1.00 11.31 C ATOM 608 C GLU A 36 4.350 -6.080 -2.263 1.00 42.22 C ATOM 609 O GLU A 36 5.280 -5.307 -2.515 1.00 71.42 O ATOM 610 CB GLU A 36 2.330 -5.901 -3.879 1.00 70.42 C ATOM 611 CG GLU A 36 1.914 -7.347 -4.198 1.00 64.20 C ATOM 612 CD GLU A 36 1.153 -7.493 -5.531 1.00 41.31 C ATOM 613 OE1 GLU A 36 1.376 -6.692 -6.472 1.00 3.21 O ATOM 614 OE2 GLU A 36 0.319 -8.432 -5.639 1.00 12.00 O ATOM 0 H GLU A 36 3.403 -3.660 -2.678 1.00 11.21 H new ATOM 0 HA GLU A 36 2.304 -6.302 -1.785 1.00 11.31 H new ATOM 0 HB2 GLU A 36 1.466 -5.252 -4.025 1.00 70.42 H new ATOM 0 HB3 GLU A 36 3.087 -5.592 -4.600 1.00 70.42 H new ATOM 0 HG2 GLU A 36 2.805 -7.974 -4.228 1.00 64.20 H new ATOM 0 HG3 GLU A 36 1.287 -7.722 -3.389 1.00 64.20 H new ATOM 621 N ARG A 37 4.558 -7.270 -1.713 1.00 11.22 N ATOM 622 CA ARG A 37 5.862 -7.857 -1.448 1.00 65.22 C ATOM 623 C ARG A 37 6.356 -8.457 -2.756 1.00 41.13 C ATOM 624 O ARG A 37 5.576 -9.122 -3.437 1.00 63.40 O ATOM 625 CB ARG A 37 5.692 -8.930 -0.366 1.00 22.22 C ATOM 626 CG ARG A 37 7.033 -9.586 0.014 1.00 61.51 C ATOM 627 CD ARG A 37 6.896 -11.036 0.492 1.00 24.25 C ATOM 628 NE ARG A 37 6.161 -11.829 -0.504 1.00 23.32 N ATOM 629 CZ ARG A 37 5.564 -13.013 -0.310 1.00 4.01 C ATOM 630 NH1 ARG A 37 5.709 -13.699 0.816 1.00 73.31 N ATOM 631 NH2 ARG A 37 4.790 -13.505 -1.259 1.00 21.24 N ATOM 0 H ARG A 37 3.789 -7.876 -1.428 1.00 11.22 H new ATOM 0 HA ARG A 37 6.586 -7.125 -1.091 1.00 65.22 H new ATOM 0 HB2 ARG A 37 5.244 -8.482 0.521 1.00 22.22 H new ATOM 0 HB3 ARG A 37 5.002 -9.696 -0.720 1.00 22.22 H new ATOM 0 HG2 ARG A 37 7.698 -9.559 -0.849 1.00 61.51 H new ATOM 0 HG3 ARG A 37 7.506 -8.997 0.800 1.00 61.51 H new ATOM 0 HD2 ARG A 37 7.883 -11.468 0.656 1.00 24.25 H new ATOM 0 HD3 ARG A 37 6.373 -11.064 1.448 1.00 24.25 H new ATOM 0 HE ARG A 37 6.099 -11.436 -1.443 1.00 23.32 H new ATOM 0 HH11 ARG A 37 6.290 -13.328 1.568 1.00 73.31 H new ATOM 0 HH12 ARG A 37 5.240 -14.597 0.930 1.00 73.31 H new ATOM 0 HH21 ARG A 37 4.653 -12.985 -2.126 1.00 21.24 H new ATOM 0 HH22 ARG A 37 4.329 -14.405 -1.126 1.00 21.24 H new ATOM 645 N TYR A 38 7.634 -8.262 -3.092 1.00 45.03 N ATOM 646 CA TYR A 38 8.172 -8.820 -4.324 1.00 52.40 C ATOM 647 C TYR A 38 8.026 -10.341 -4.323 1.00 24.15 C ATOM 648 O TYR A 38 8.173 -10.986 -3.283 1.00 45.14 O ATOM 649 CB TYR A 38 9.652 -8.447 -4.515 1.00 41.03 C ATOM 650 CG TYR A 38 10.230 -8.777 -5.891 1.00 21.45 C ATOM 651 CD1 TYR A 38 9.466 -8.595 -7.062 1.00 44.43 C ATOM 652 CD2 TYR A 38 11.553 -9.255 -6.010 1.00 14.05 C ATOM 653 CE1 TYR A 38 10.018 -8.862 -8.325 1.00 30.44 C ATOM 654 CE2 TYR A 38 12.118 -9.497 -7.279 1.00 31.44 C ATOM 655 CZ TYR A 38 11.351 -9.299 -8.449 1.00 61.10 C ATOM 656 OH TYR A 38 11.840 -9.545 -9.697 1.00 42.03 O ATOM 0 H TYR A 38 8.302 -7.730 -2.535 1.00 45.03 H new ATOM 0 HA TYR A 38 7.603 -8.397 -5.152 1.00 52.40 H new ATOM 0 HB2 TYR A 38 9.767 -7.378 -4.336 1.00 41.03 H new ATOM 0 HB3 TYR A 38 10.242 -8.963 -3.757 1.00 41.03 H new ATOM 0 HD1 TYR A 38 8.446 -8.247 -6.987 1.00 44.43 H new ATOM 0 HD2 TYR A 38 12.138 -9.437 -5.121 1.00 14.05 H new ATOM 0 HE1 TYR A 38 9.414 -8.731 -9.211 1.00 30.44 H new ATOM 0 HE2 TYR A 38 13.141 -9.835 -7.357 1.00 31.44 H new ATOM 0 HH TYR A 38 12.773 -9.839 -9.631 1.00 42.03 H new ATOM 666 N LYS A 39 7.822 -10.935 -5.498 1.00 71.34 N ATOM 667 CA LYS A 39 7.686 -12.383 -5.638 1.00 12.25 C ATOM 668 C LYS A 39 8.942 -13.105 -5.148 1.00 34.55 C ATOM 669 O LYS A 39 8.835 -14.149 -4.506 1.00 21.44 O ATOM 670 CB LYS A 39 7.351 -12.733 -7.099 1.00 4.14 C ATOM 671 CG LYS A 39 8.523 -12.438 -8.055 1.00 72.30 C ATOM 672 CD LYS A 39 8.067 -12.284 -9.501 1.00 5.31 C ATOM 673 CE LYS A 39 9.281 -11.900 -10.357 1.00 31.15 C ATOM 674 NZ LYS A 39 8.859 -11.282 -11.622 1.00 72.52 N ATOM 0 H LYS A 39 7.746 -10.426 -6.379 1.00 71.34 H new ATOM 0 HA LYS A 39 6.864 -12.727 -5.010 1.00 12.25 H new ATOM 0 HB2 LYS A 39 7.087 -13.789 -7.166 1.00 4.14 H new ATOM 0 HB3 LYS A 39 6.476 -12.165 -7.415 1.00 4.14 H new ATOM 0 HG2 LYS A 39 9.027 -11.526 -7.737 1.00 72.30 H new ATOM 0 HG3 LYS A 39 9.253 -13.245 -7.991 1.00 72.30 H new ATOM 0 HD2 LYS A 39 7.629 -13.215 -9.861 1.00 5.31 H new ATOM 0 HD3 LYS A 39 7.294 -11.519 -9.575 1.00 5.31 H new ATOM 0 HE2 LYS A 39 9.916 -11.208 -9.804 1.00 31.15 H new ATOM 0 HE3 LYS A 39 9.880 -12.787 -10.563 1.00 31.15 H new ATOM 0 HZ1 LYS A 39 9.698 -11.031 -12.183 1.00 72.52 H new ATOM 0 HZ2 LYS A 39 8.272 -11.953 -12.158 1.00 72.52 H new ATOM 0 HZ3 LYS A 39 8.307 -10.423 -11.422 1.00 72.52 H new ATOM 688 N GLY A 40 10.123 -12.542 -5.413 1.00 51.40 N ATOM 689 CA GLY A 40 11.392 -13.119 -5.012 1.00 25.51 C ATOM 690 C GLY A 40 11.716 -12.864 -3.546 1.00 45.13 C ATOM 691 O GLY A 40 12.717 -13.393 -3.059 1.00 12.42 O ATOM 0 H GLY A 40 10.218 -11.661 -5.919 1.00 51.40 H new ATOM 0 HA2 GLY A 40 11.372 -14.194 -5.194 1.00 25.51 H new ATOM 0 HA3 GLY A 40 12.187 -12.706 -5.633 1.00 25.51 H new ATOM 695 N GLU A 41 10.931 -12.044 -2.845 1.00 2.43 N ATOM 696 CA GLU A 41 11.167 -11.751 -1.446 1.00 11.42 C ATOM 697 C GLU A 41 10.851 -13.008 -0.642 1.00 23.24 C ATOM 698 O GLU A 41 9.807 -13.646 -0.827 1.00 64.21 O ATOM 699 CB GLU A 41 10.304 -10.560 -1.028 1.00 31.54 C ATOM 700 CG GLU A 41 10.615 -10.035 0.374 1.00 22.44 C ATOM 701 CD GLU A 41 12.119 -9.990 0.620 1.00 10.22 C ATOM 702 OE1 GLU A 41 12.807 -9.108 0.072 1.00 62.30 O ATOM 703 OE2 GLU A 41 12.619 -10.933 1.263 1.00 65.14 O ATOM 0 H GLU A 41 10.118 -11.570 -3.238 1.00 2.43 H new ATOM 0 HA GLU A 41 12.206 -11.476 -1.262 1.00 11.42 H new ATOM 0 HB2 GLU A 41 10.442 -9.753 -1.747 1.00 31.54 H new ATOM 0 HB3 GLU A 41 9.254 -10.850 -1.073 1.00 31.54 H new ATOM 0 HG2 GLU A 41 10.193 -9.037 0.494 1.00 22.44 H new ATOM 0 HG3 GLU A 41 10.140 -10.674 1.119 1.00 22.44 H new ATOM 710 N LYS A 42 11.805 -13.398 0.200 1.00 34.35 N ATOM 711 CA LYS A 42 11.735 -14.575 1.053 1.00 13.12 C ATOM 712 C LYS A 42 12.343 -14.329 2.429 1.00 1.04 C ATOM 713 O LYS A 42 12.171 -15.191 3.292 1.00 40.00 O ATOM 714 CB LYS A 42 12.454 -15.743 0.354 1.00 33.15 C ATOM 715 CG LYS A 42 11.781 -16.229 -0.940 1.00 62.33 C ATOM 716 CD LYS A 42 10.429 -16.928 -0.742 1.00 21.14 C ATOM 717 CE LYS A 42 10.602 -18.291 -0.071 1.00 62.21 C ATOM 718 NZ LYS A 42 11.143 -19.305 -1.000 1.00 71.14 N ATOM 0 H LYS A 42 12.678 -12.882 0.309 1.00 34.35 H new ATOM 0 HA LYS A 42 10.684 -14.818 1.211 1.00 13.12 H new ATOM 0 HB2 LYS A 42 13.475 -15.438 0.124 1.00 33.15 H new ATOM 0 HB3 LYS A 42 12.520 -16.580 1.050 1.00 33.15 H new ATOM 0 HG2 LYS A 42 11.638 -15.374 -1.601 1.00 62.33 H new ATOM 0 HG3 LYS A 42 12.458 -16.916 -1.448 1.00 62.33 H new ATOM 0 HD2 LYS A 42 9.778 -16.300 -0.133 1.00 21.14 H new ATOM 0 HD3 LYS A 42 9.938 -17.055 -1.707 1.00 21.14 H new ATOM 0 HE2 LYS A 42 11.270 -18.191 0.784 1.00 62.21 H new ATOM 0 HE3 LYS A 42 9.640 -18.630 0.314 1.00 62.21 H new ATOM 0 HZ1 LYS A 42 11.180 -20.228 -0.523 1.00 71.14 H new ATOM 0 HZ2 LYS A 42 10.529 -19.372 -1.837 1.00 71.14 H new ATOM 0 HZ3 LYS A 42 12.101 -19.029 -1.295 1.00 71.14 H new ATOM 732 N GLN A 43 13.076 -13.237 2.658 1.00 43.43 N ATOM 733 CA GLN A 43 13.665 -12.934 3.950 1.00 15.03 C ATOM 734 C GLN A 43 12.745 -11.977 4.710 1.00 71.52 C ATOM 735 O GLN A 43 12.709 -12.036 5.938 1.00 11.43 O ATOM 736 CB GLN A 43 15.093 -12.380 3.807 1.00 31.25 C ATOM 737 CG GLN A 43 15.252 -11.107 2.954 1.00 25.13 C ATOM 738 CD GLN A 43 15.703 -11.312 1.498 1.00 24.33 C ATOM 739 OE1 GLN A 43 16.283 -10.419 0.896 1.00 42.00 O ATOM 740 NE2 GLN A 43 15.465 -12.448 0.859 1.00 25.31 N ATOM 0 H GLN A 43 13.275 -12.538 1.942 1.00 43.43 H new ATOM 0 HA GLN A 43 13.758 -13.855 4.526 1.00 15.03 H new ATOM 0 HB2 GLN A 43 15.481 -12.173 4.805 1.00 31.25 H new ATOM 0 HB3 GLN A 43 15.721 -13.160 3.376 1.00 31.25 H new ATOM 0 HG2 GLN A 43 14.298 -10.580 2.945 1.00 25.13 H new ATOM 0 HG3 GLN A 43 15.972 -10.454 3.446 1.00 25.13 H new ATOM 0 HE21 GLN A 43 14.983 -13.210 1.336 1.00 25.31 H new ATOM 0 HE22 GLN A 43 15.764 -12.560 -0.110 1.00 25.31 H new ATOM 749 N LEU A 44 12.002 -11.108 4.012 1.00 0.41 N ATOM 750 CA LEU A 44 11.092 -10.157 4.645 1.00 63.33 C ATOM 751 C LEU A 44 9.686 -10.764 4.723 1.00 53.02 C ATOM 752 O LEU A 44 9.292 -11.474 3.791 1.00 50.20 O ATOM 753 CB LEU A 44 10.996 -8.838 3.853 1.00 21.55 C ATOM 754 CG LEU A 44 12.316 -8.089 3.639 1.00 70.41 C ATOM 755 CD1 LEU A 44 11.994 -6.803 2.881 1.00 51.40 C ATOM 756 CD2 LEU A 44 13.047 -7.771 4.947 1.00 51.00 C ATOM 0 H LEU A 44 12.018 -11.048 2.994 1.00 0.41 H new ATOM 0 HA LEU A 44 11.487 -9.945 5.639 1.00 63.33 H new ATOM 0 HB2 LEU A 44 10.560 -9.053 2.877 1.00 21.55 H new ATOM 0 HB3 LEU A 44 10.304 -8.175 4.372 1.00 21.55 H new ATOM 0 HG LEU A 44 12.994 -8.728 3.073 1.00 70.41 H new ATOM 0 HD11 LEU A 44 12.913 -6.242 2.710 1.00 51.40 H new ATOM 0 HD12 LEU A 44 11.536 -7.050 1.923 1.00 51.40 H new ATOM 0 HD13 LEU A 44 11.303 -6.198 3.468 1.00 51.40 H new ATOM 0 HD21 LEU A 44 13.973 -7.241 4.726 1.00 51.00 H new ATOM 0 HD22 LEU A 44 12.412 -7.147 5.576 1.00 51.00 H new ATOM 0 HD23 LEU A 44 13.276 -8.699 5.471 1.00 51.00 H new ATOM 768 N PRO A 45 8.901 -10.500 5.784 1.00 63.14 N ATOM 769 CA PRO A 45 7.547 -11.024 5.891 1.00 63.24 C ATOM 770 C PRO A 45 6.613 -10.273 4.920 1.00 35.53 C ATOM 771 O PRO A 45 6.986 -9.232 4.365 1.00 4.42 O ATOM 772 CB PRO A 45 7.160 -10.889 7.365 1.00 3.13 C ATOM 773 CG PRO A 45 8.075 -9.803 7.924 1.00 35.44 C ATOM 774 CD PRO A 45 9.242 -9.694 6.942 1.00 1.31 C ATOM 0 HA PRO A 45 7.467 -12.071 5.599 1.00 63.24 H new ATOM 0 HB2 PRO A 45 6.111 -10.613 7.473 1.00 3.13 H new ATOM 0 HB3 PRO A 45 7.298 -11.831 7.896 1.00 3.13 H new ATOM 0 HG2 PRO A 45 7.547 -8.853 8.010 1.00 35.44 H new ATOM 0 HG3 PRO A 45 8.427 -10.064 8.922 1.00 35.44 H new ATOM 0 HD2 PRO A 45 9.407 -8.656 6.654 1.00 1.31 H new ATOM 0 HD3 PRO A 45 10.165 -10.049 7.400 1.00 1.31 H new ATOM 782 N VAL A 46 5.407 -10.801 4.693 1.00 52.24 N ATOM 783 CA VAL A 46 4.399 -10.231 3.795 1.00 3.02 C ATOM 784 C VAL A 46 3.336 -9.465 4.593 1.00 40.14 C ATOM 785 O VAL A 46 3.093 -9.765 5.763 1.00 2.24 O ATOM 786 CB VAL A 46 3.840 -11.348 2.884 1.00 74.52 C ATOM 787 CG1 VAL A 46 3.046 -12.438 3.608 1.00 33.11 C ATOM 788 CG2 VAL A 46 2.996 -10.804 1.723 1.00 1.15 C ATOM 0 H VAL A 46 5.096 -11.662 5.142 1.00 52.24 H new ATOM 0 HA VAL A 46 4.844 -9.487 3.134 1.00 3.02 H new ATOM 0 HB VAL A 46 4.744 -11.814 2.493 1.00 74.52 H new ATOM 0 HG11 VAL A 46 2.696 -13.175 2.885 1.00 33.11 H new ATOM 0 HG12 VAL A 46 3.686 -12.927 4.343 1.00 33.11 H new ATOM 0 HG13 VAL A 46 2.190 -11.990 4.113 1.00 33.11 H new ATOM 0 HG21 VAL A 46 2.631 -11.634 1.118 1.00 1.15 H new ATOM 0 HG22 VAL A 46 2.149 -10.244 2.120 1.00 1.15 H new ATOM 0 HG23 VAL A 46 3.608 -10.147 1.105 1.00 1.15 H new ATOM 798 N LEU A 47 2.726 -8.437 3.987 1.00 24.14 N ATOM 799 CA LEU A 47 1.686 -7.657 4.644 1.00 10.01 C ATOM 800 C LEU A 47 0.399 -8.481 4.657 1.00 11.34 C ATOM 801 O LEU A 47 0.121 -9.257 3.740 1.00 23.41 O ATOM 802 CB LEU A 47 1.404 -6.328 3.911 1.00 50.20 C ATOM 803 CG LEU A 47 2.245 -5.097 4.287 1.00 44.01 C ATOM 804 CD1 LEU A 47 2.219 -4.782 5.789 1.00 35.13 C ATOM 805 CD2 LEU A 47 3.685 -5.226 3.815 1.00 41.04 C ATOM 0 H LEU A 47 2.941 -8.131 3.038 1.00 24.14 H new ATOM 0 HA LEU A 47 2.028 -7.422 5.652 1.00 10.01 H new ATOM 0 HB2 LEU A 47 1.531 -6.504 2.843 1.00 50.20 H new ATOM 0 HB3 LEU A 47 0.356 -6.076 4.070 1.00 50.20 H new ATOM 0 HG LEU A 47 1.775 -4.262 3.767 1.00 44.01 H new ATOM 0 HD11 LEU A 47 2.832 -3.903 5.987 1.00 35.13 H new ATOM 0 HD12 LEU A 47 1.193 -4.587 6.102 1.00 35.13 H new ATOM 0 HD13 LEU A 47 2.613 -5.632 6.346 1.00 35.13 H new ATOM 0 HD21 LEU A 47 4.243 -4.335 4.102 1.00 41.04 H new ATOM 0 HD22 LEU A 47 4.141 -6.103 4.274 1.00 41.04 H new ATOM 0 HD23 LEU A 47 3.704 -5.333 2.730 1.00 41.04 H new ATOM 817 N ASP A 48 -0.434 -8.212 5.664 1.00 72.44 N ATOM 818 CA ASP A 48 -1.723 -8.881 5.858 1.00 41.21 C ATOM 819 C ASP A 48 -2.777 -8.488 4.813 1.00 14.03 C ATOM 820 O ASP A 48 -3.756 -9.204 4.611 1.00 0.10 O ATOM 821 CB ASP A 48 -2.229 -8.509 7.256 1.00 34.53 C ATOM 822 CG ASP A 48 -3.474 -9.291 7.677 1.00 52.42 C ATOM 823 OD1 ASP A 48 -3.505 -10.531 7.480 1.00 0.43 O ATOM 824 OD2 ASP A 48 -4.369 -8.639 8.266 1.00 11.44 O ATOM 0 H ASP A 48 -0.230 -7.513 6.378 1.00 72.44 H new ATOM 0 HA ASP A 48 -1.569 -9.954 5.747 1.00 41.21 H new ATOM 0 HB2 ASP A 48 -1.435 -8.686 7.981 1.00 34.53 H new ATOM 0 HB3 ASP A 48 -2.452 -7.442 7.282 1.00 34.53 H new ATOM 829 N LYS A 49 -2.604 -7.320 4.190 1.00 1.22 N ATOM 830 CA LYS A 49 -3.458 -6.727 3.164 1.00 1.43 C ATOM 831 C LYS A 49 -2.556 -6.194 2.062 1.00 45.15 C ATOM 832 O LYS A 49 -1.348 -6.067 2.262 1.00 65.33 O ATOM 833 CB LYS A 49 -4.266 -5.546 3.735 1.00 12.31 C ATOM 834 CG LYS A 49 -5.489 -5.917 4.579 1.00 21.20 C ATOM 835 CD LYS A 49 -5.159 -6.336 6.013 1.00 22.33 C ATOM 836 CE LYS A 49 -6.371 -6.079 6.908 1.00 74.22 C ATOM 837 NZ LYS A 49 -6.695 -7.252 7.746 1.00 21.50 N ATOM 0 H LYS A 49 -1.806 -6.723 4.406 1.00 1.22 H new ATOM 0 HA LYS A 49 -4.152 -7.482 2.794 1.00 1.43 H new ATOM 0 HB2 LYS A 49 -3.599 -4.936 4.345 1.00 12.31 H new ATOM 0 HB3 LYS A 49 -4.598 -4.923 2.905 1.00 12.31 H new ATOM 0 HG2 LYS A 49 -6.168 -5.065 4.609 1.00 21.20 H new ATOM 0 HG3 LYS A 49 -6.021 -6.732 4.088 1.00 21.20 H new ATOM 0 HD2 LYS A 49 -4.889 -7.392 6.042 1.00 22.33 H new ATOM 0 HD3 LYS A 49 -4.298 -5.776 6.378 1.00 22.33 H new ATOM 0 HE2 LYS A 49 -6.174 -5.219 7.548 1.00 74.22 H new ATOM 0 HE3 LYS A 49 -7.232 -5.826 6.289 1.00 74.22 H new ATOM 0 HZ1 LYS A 49 -7.015 -6.932 8.682 1.00 21.50 H new ATOM 0 HZ2 LYS A 49 -7.450 -7.805 7.292 1.00 21.50 H new ATOM 0 HZ3 LYS A 49 -5.848 -7.846 7.854 1.00 21.50 H new ATOM 851 N THR A 50 -3.142 -5.808 0.930 1.00 22.43 N ATOM 852 CA THR A 50 -2.398 -5.269 -0.203 1.00 64.35 C ATOM 853 C THR A 50 -2.676 -3.776 -0.421 1.00 54.33 C ATOM 854 O THR A 50 -1.836 -3.083 -0.987 1.00 44.13 O ATOM 855 CB THR A 50 -2.667 -6.091 -1.481 1.00 3.10 C ATOM 856 OG1 THR A 50 -3.146 -7.403 -1.213 1.00 74.54 O ATOM 857 CG2 THR A 50 -1.402 -6.224 -2.335 1.00 4.41 C ATOM 0 H THR A 50 -4.149 -5.861 0.774 1.00 22.43 H new ATOM 0 HA THR A 50 -1.338 -5.356 0.034 1.00 64.35 H new ATOM 0 HB THR A 50 -3.439 -5.536 -2.015 1.00 3.10 H new ATOM 0 HG1 THR A 50 -3.300 -7.874 -2.058 1.00 74.54 H new ATOM 0 HG21 THR A 50 -1.625 -6.808 -3.228 1.00 4.41 H new ATOM 0 HG22 THR A 50 -1.055 -5.233 -2.628 1.00 4.41 H new ATOM 0 HG23 THR A 50 -0.625 -6.725 -1.758 1.00 4.41 H new ATOM 865 N LYS A 51 -3.855 -3.264 -0.047 1.00 73.11 N ATOM 866 CA LYS A 51 -4.212 -1.858 -0.250 1.00 50.41 C ATOM 867 C LYS A 51 -4.062 -1.045 1.039 1.00 43.22 C ATOM 868 O LYS A 51 -4.433 -1.528 2.109 1.00 61.31 O ATOM 869 CB LYS A 51 -5.654 -1.769 -0.779 1.00 62.31 C ATOM 870 CG LYS A 51 -6.061 -2.839 -1.811 1.00 25.14 C ATOM 871 CD LYS A 51 -7.368 -2.490 -2.535 1.00 14.20 C ATOM 872 CE LYS A 51 -8.521 -2.249 -1.552 1.00 10.21 C ATOM 873 NZ LYS A 51 -9.816 -2.117 -2.241 1.00 30.53 N ATOM 0 H LYS A 51 -4.586 -3.814 0.404 1.00 73.11 H new ATOM 0 HA LYS A 51 -3.527 -1.431 -0.982 1.00 50.41 H new ATOM 0 HB2 LYS A 51 -6.336 -1.832 0.069 1.00 62.31 H new ATOM 0 HB3 LYS A 51 -5.795 -0.786 -1.229 1.00 62.31 H new ATOM 0 HG2 LYS A 51 -5.263 -2.954 -2.544 1.00 25.14 H new ATOM 0 HG3 LYS A 51 -6.173 -3.800 -1.308 1.00 25.14 H new ATOM 0 HD2 LYS A 51 -7.218 -1.599 -3.144 1.00 14.20 H new ATOM 0 HD3 LYS A 51 -7.634 -3.300 -3.215 1.00 14.20 H new ATOM 0 HE2 LYS A 51 -8.571 -3.075 -0.842 1.00 10.21 H new ATOM 0 HE3 LYS A 51 -8.323 -1.345 -0.976 1.00 10.21 H new ATOM 0 HZ1 LYS A 51 -10.568 -2.519 -1.646 1.00 30.53 H new ATOM 0 HZ2 LYS A 51 -10.014 -1.112 -2.418 1.00 30.53 H new ATOM 0 HZ3 LYS A 51 -9.781 -2.627 -3.146 1.00 30.53 H new ATOM 887 N PHE A 52 -3.555 0.188 0.955 1.00 41.14 N ATOM 888 CA PHE A 52 -3.373 1.076 2.101 1.00 11.32 C ATOM 889 C PHE A 52 -3.917 2.468 1.761 1.00 64.35 C ATOM 890 O PHE A 52 -4.003 2.856 0.592 1.00 52.11 O ATOM 891 CB PHE A 52 -1.905 1.135 2.578 1.00 44.22 C ATOM 892 CG PHE A 52 -1.379 -0.147 3.206 1.00 5.24 C ATOM 893 CD1 PHE A 52 -1.132 -1.291 2.421 1.00 3.03 C ATOM 894 CD2 PHE A 52 -1.150 -0.202 4.596 1.00 43.45 C ATOM 895 CE1 PHE A 52 -0.724 -2.492 3.027 1.00 42.02 C ATOM 896 CE2 PHE A 52 -0.723 -1.397 5.202 1.00 61.15 C ATOM 897 CZ PHE A 52 -0.533 -2.547 4.417 1.00 25.31 C ATOM 0 H PHE A 52 -3.255 0.602 0.072 1.00 41.14 H new ATOM 0 HA PHE A 52 -3.939 0.669 2.939 1.00 11.32 H new ATOM 0 HB2 PHE A 52 -1.273 1.391 1.728 1.00 44.22 H new ATOM 0 HB3 PHE A 52 -1.807 1.943 3.303 1.00 44.22 H new ATOM 0 HD1 PHE A 52 -1.257 -1.245 1.349 1.00 3.03 H new ATOM 0 HD2 PHE A 52 -1.304 0.680 5.200 1.00 43.45 H new ATOM 0 HE1 PHE A 52 -0.558 -3.372 2.424 1.00 42.02 H new ATOM 0 HE2 PHE A 52 -0.542 -1.431 6.266 1.00 61.15 H new ATOM 0 HZ PHE A 52 -0.239 -3.475 4.884 1.00 25.31 H new ATOM 907 N LEU A 53 -4.273 3.218 2.807 1.00 45.04 N ATOM 908 CA LEU A 53 -4.816 4.577 2.763 1.00 64.54 C ATOM 909 C LEU A 53 -3.808 5.450 3.471 1.00 34.53 C ATOM 910 O LEU A 53 -3.716 5.415 4.702 1.00 11.12 O ATOM 911 CB LEU A 53 -6.190 4.649 3.457 1.00 3.43 C ATOM 912 CG LEU A 53 -7.371 4.678 2.486 1.00 1.23 C ATOM 913 CD1 LEU A 53 -7.241 3.598 1.420 1.00 64.53 C ATOM 914 CD2 LEU A 53 -8.663 4.514 3.281 1.00 53.35 C ATOM 0 H LEU A 53 -4.185 2.872 3.763 1.00 45.04 H new ATOM 0 HA LEU A 53 -4.975 4.905 1.736 1.00 64.54 H new ATOM 0 HB2 LEU A 53 -6.297 3.790 4.120 1.00 3.43 H new ATOM 0 HB3 LEU A 53 -6.224 5.541 4.083 1.00 3.43 H new ATOM 0 HG LEU A 53 -7.383 5.635 1.964 1.00 1.23 H new ATOM 0 HD11 LEU A 53 -8.097 3.647 0.747 1.00 64.53 H new ATOM 0 HD12 LEU A 53 -6.324 3.755 0.853 1.00 64.53 H new ATOM 0 HD13 LEU A 53 -7.210 2.618 1.897 1.00 64.53 H new ATOM 0 HD21 LEU A 53 -9.514 4.533 2.600 1.00 53.35 H new ATOM 0 HD22 LEU A 53 -8.645 3.563 3.813 1.00 53.35 H new ATOM 0 HD23 LEU A 53 -8.754 5.329 3.999 1.00 53.35 H new ATOM 926 N VAL A 54 -3.066 6.241 2.708 1.00 11.34 N ATOM 927 CA VAL A 54 -2.036 7.098 3.286 1.00 3.04 C ATOM 928 C VAL A 54 -2.445 8.566 3.124 1.00 21.22 C ATOM 929 O VAL A 54 -2.854 8.940 2.030 1.00 2.04 O ATOM 930 CB VAL A 54 -0.675 6.702 2.682 1.00 23.34 C ATOM 931 CG1 VAL A 54 -0.410 5.194 2.876 1.00 2.42 C ATOM 932 CG2 VAL A 54 -0.595 6.956 1.189 1.00 1.12 C ATOM 0 H VAL A 54 -3.156 6.308 1.694 1.00 11.34 H new ATOM 0 HA VAL A 54 -1.928 6.961 4.362 1.00 3.04 H new ATOM 0 HB VAL A 54 0.059 7.318 3.202 1.00 23.34 H new ATOM 0 HG11 VAL A 54 0.556 4.936 2.442 1.00 2.42 H new ATOM 0 HG12 VAL A 54 -0.404 4.960 3.940 1.00 2.42 H new ATOM 0 HG13 VAL A 54 -1.194 4.620 2.382 1.00 2.42 H new ATOM 0 HG21 VAL A 54 0.387 6.657 0.821 1.00 1.12 H new ATOM 0 HG22 VAL A 54 -1.365 6.377 0.680 1.00 1.12 H new ATOM 0 HG23 VAL A 54 -0.749 8.017 0.992 1.00 1.12 H new ATOM 942 N PRO A 55 -2.450 9.391 4.185 1.00 43.12 N ATOM 943 CA PRO A 55 -2.832 10.789 4.061 1.00 5.34 C ATOM 944 C PRO A 55 -1.874 11.552 3.135 1.00 52.11 C ATOM 945 O PRO A 55 -0.668 11.332 3.140 1.00 13.23 O ATOM 946 CB PRO A 55 -2.867 11.346 5.488 1.00 12.11 C ATOM 947 CG PRO A 55 -2.093 10.355 6.353 1.00 43.45 C ATOM 948 CD PRO A 55 -2.018 9.070 5.533 1.00 14.01 C ATOM 0 HA PRO A 55 -3.810 10.903 3.593 1.00 5.34 H new ATOM 0 HB2 PRO A 55 -2.413 12.336 5.530 1.00 12.11 H new ATOM 0 HB3 PRO A 55 -3.893 11.450 5.840 1.00 12.11 H new ATOM 0 HG2 PRO A 55 -1.097 10.731 6.585 1.00 43.45 H new ATOM 0 HG3 PRO A 55 -2.599 10.185 7.303 1.00 43.45 H new ATOM 0 HD2 PRO A 55 -1.001 8.677 5.527 1.00 14.01 H new ATOM 0 HD3 PRO A 55 -2.655 8.300 5.967 1.00 14.01 H new ATOM 956 N ASP A 56 -2.415 12.502 2.381 1.00 70.13 N ATOM 957 CA ASP A 56 -1.732 13.367 1.418 1.00 30.50 C ATOM 958 C ASP A 56 -0.658 14.284 2.008 1.00 33.12 C ATOM 959 O ASP A 56 0.009 14.982 1.244 1.00 34.41 O ATOM 960 CB ASP A 56 -2.791 14.197 0.649 1.00 30.41 C ATOM 961 CG ASP A 56 -3.606 15.213 1.484 1.00 54.22 C ATOM 962 OD1 ASP A 56 -3.368 15.398 2.703 1.00 44.24 O ATOM 963 OD2 ASP A 56 -4.607 15.738 0.942 1.00 71.51 O ATOM 0 H ASP A 56 -3.414 12.705 2.428 1.00 70.13 H new ATOM 0 HA ASP A 56 -1.184 12.703 0.749 1.00 30.50 H new ATOM 0 HB2 ASP A 56 -2.286 14.739 -0.151 1.00 30.41 H new ATOM 0 HB3 ASP A 56 -3.488 13.506 0.175 1.00 30.41 H new ATOM 968 N HIS A 57 -0.451 14.296 3.324 1.00 31.24 N ATOM 969 CA HIS A 57 0.555 15.135 3.963 1.00 53.32 C ATOM 970 C HIS A 57 1.728 14.353 4.574 1.00 52.40 C ATOM 971 O HIS A 57 2.704 14.989 4.982 1.00 10.42 O ATOM 972 CB HIS A 57 -0.145 16.075 4.951 1.00 45.30 C ATOM 973 CG HIS A 57 -0.704 15.412 6.180 1.00 4.05 C ATOM 974 ND1 HIS A 57 -1.996 14.963 6.352 1.00 44.04 N ATOM 975 CD2 HIS A 57 -0.032 15.229 7.359 1.00 45.02 C ATOM 976 CE1 HIS A 57 -2.099 14.513 7.613 1.00 24.12 C ATOM 977 NE2 HIS A 57 -0.934 14.670 8.270 1.00 44.22 N ATOM 0 H HIS A 57 -0.981 13.720 3.978 1.00 31.24 H new ATOM 0 HA HIS A 57 1.043 15.735 3.195 1.00 53.32 H new ATOM 0 HB2 HIS A 57 0.564 16.842 5.262 1.00 45.30 H new ATOM 0 HB3 HIS A 57 -0.957 16.583 4.431 1.00 45.30 H new ATOM 0 HD2 HIS A 57 1.003 15.471 7.550 1.00 45.02 H new ATOM 0 HE1 HIS A 57 -2.993 14.084 8.041 1.00 24.12 H new ATOM 0 HE2 HIS A 57 -0.746 14.428 9.243 1.00 44.22 H new ATOM 985 N VAL A 58 1.668 13.019 4.681 1.00 71.42 N ATOM 986 CA VAL A 58 2.778 12.253 5.261 1.00 10.25 C ATOM 987 C VAL A 58 3.851 11.923 4.219 1.00 54.04 C ATOM 988 O VAL A 58 3.592 11.910 3.010 1.00 50.03 O ATOM 989 CB VAL A 58 2.294 10.994 6.008 1.00 52.00 C ATOM 990 CG1 VAL A 58 1.515 11.396 7.272 1.00 54.04 C ATOM 991 CG2 VAL A 58 1.483 10.015 5.158 1.00 10.04 C ATOM 0 H VAL A 58 0.874 12.455 4.378 1.00 71.42 H new ATOM 0 HA VAL A 58 3.244 12.897 6.007 1.00 10.25 H new ATOM 0 HB VAL A 58 3.197 10.447 6.281 1.00 52.00 H new ATOM 0 HG11 VAL A 58 1.178 10.499 7.792 1.00 54.04 H new ATOM 0 HG12 VAL A 58 2.163 11.975 7.930 1.00 54.04 H new ATOM 0 HG13 VAL A 58 0.651 11.999 6.991 1.00 54.04 H new ATOM 0 HG21 VAL A 58 1.187 9.162 5.768 1.00 10.04 H new ATOM 0 HG22 VAL A 58 0.593 10.515 4.777 1.00 10.04 H new ATOM 0 HG23 VAL A 58 2.091 9.669 4.322 1.00 10.04 H new ATOM 1001 N ASN A 59 5.056 11.628 4.712 1.00 13.23 N ATOM 1002 CA ASN A 59 6.214 11.278 3.893 1.00 42.00 C ATOM 1003 C ASN A 59 6.456 9.774 3.852 1.00 64.14 C ATOM 1004 O ASN A 59 5.956 8.997 4.676 1.00 72.14 O ATOM 1005 CB ASN A 59 7.501 11.991 4.350 1.00 11.13 C ATOM 1006 CG ASN A 59 8.207 11.469 5.571 1.00 51.44 C ATOM 1007 OD1 ASN A 59 9.426 11.544 5.687 1.00 65.24 O ATOM 1008 ND2 ASN A 59 7.529 10.925 6.534 1.00 72.44 N ATOM 0 H ASN A 59 5.256 11.626 5.712 1.00 13.23 H new ATOM 0 HA ASN A 59 5.970 11.622 2.888 1.00 42.00 H new ATOM 0 HB2 ASN A 59 8.208 11.966 3.521 1.00 11.13 H new ATOM 0 HB3 ASN A 59 7.256 13.038 4.529 1.00 11.13 H new ATOM 0 HD21 ASN A 59 8.011 10.573 7.361 1.00 72.44 H new ATOM 0 HD22 ASN A 59 6.514 10.850 6.464 1.00 72.44 H new ATOM 1015 N MET A 60 7.321 9.374 2.920 1.00 73.20 N ATOM 1016 CA MET A 60 7.656 7.973 2.741 1.00 45.10 C ATOM 1017 C MET A 60 8.332 7.386 3.982 1.00 25.42 C ATOM 1018 O MET A 60 8.063 6.234 4.303 1.00 64.52 O ATOM 1019 CB MET A 60 8.489 7.749 1.468 1.00 14.12 C ATOM 1020 CG MET A 60 7.819 8.368 0.232 1.00 3.04 C ATOM 1021 SD MET A 60 8.528 7.885 -1.358 1.00 1.14 S ATOM 1022 CE MET A 60 7.650 6.326 -1.625 1.00 14.05 C ATOM 0 H MET A 60 7.800 10.007 2.279 1.00 73.20 H new ATOM 0 HA MET A 60 6.720 7.431 2.609 1.00 45.10 H new ATOM 0 HB2 MET A 60 9.480 8.184 1.601 1.00 14.12 H new ATOM 0 HB3 MET A 60 8.629 6.680 1.309 1.00 14.12 H new ATOM 0 HG2 MET A 60 6.763 8.096 0.237 1.00 3.04 H new ATOM 0 HG3 MET A 60 7.869 9.453 0.318 1.00 3.04 H new ATOM 0 HE1 MET A 60 8.156 5.752 -2.401 1.00 14.05 H new ATOM 0 HE2 MET A 60 7.638 5.752 -0.698 1.00 14.05 H new ATOM 0 HE3 MET A 60 6.626 6.534 -1.937 1.00 14.05 H new ATOM 1032 N SER A 61 9.117 8.156 4.746 1.00 30.43 N ATOM 1033 CA SER A 61 9.798 7.662 5.939 1.00 43.22 C ATOM 1034 C SER A 61 8.807 7.166 6.982 1.00 12.43 C ATOM 1035 O SER A 61 8.998 6.078 7.520 1.00 23.11 O ATOM 1036 CB SER A 61 10.710 8.739 6.540 1.00 21.12 C ATOM 1037 OG SER A 61 11.734 8.165 7.341 1.00 52.11 O ATOM 0 H SER A 61 9.295 9.141 4.550 1.00 30.43 H new ATOM 0 HA SER A 61 10.416 6.818 5.632 1.00 43.22 H new ATOM 0 HB2 SER A 61 11.159 9.326 5.739 1.00 21.12 H new ATOM 0 HB3 SER A 61 10.116 9.425 7.143 1.00 21.12 H new ATOM 0 HG SER A 61 12.299 8.876 7.708 1.00 52.11 H new ATOM 1043 N GLU A 62 7.778 7.950 7.318 1.00 21.13 N ATOM 1044 CA GLU A 62 6.810 7.502 8.308 1.00 12.25 C ATOM 1045 C GLU A 62 5.969 6.373 7.739 1.00 61.31 C ATOM 1046 O GLU A 62 5.640 5.468 8.498 1.00 32.54 O ATOM 1047 CB GLU A 62 6.019 8.633 8.942 1.00 44.00 C ATOM 1048 CG GLU A 62 4.965 9.254 8.037 1.00 74.40 C ATOM 1049 CD GLU A 62 4.739 10.685 8.484 1.00 11.41 C ATOM 1050 OE1 GLU A 62 4.358 10.871 9.663 1.00 24.41 O ATOM 1051 OE2 GLU A 62 5.029 11.594 7.669 1.00 23.55 O ATOM 0 H GLU A 62 7.601 8.875 6.927 1.00 21.13 H new ATOM 0 HA GLU A 62 7.355 7.090 9.157 1.00 12.25 H new ATOM 0 HB2 GLU A 62 5.531 8.258 9.842 1.00 44.00 H new ATOM 0 HB3 GLU A 62 6.713 9.412 9.257 1.00 44.00 H new ATOM 0 HG2 GLU A 62 5.293 9.228 6.998 1.00 74.40 H new ATOM 0 HG3 GLU A 62 4.035 8.687 8.092 1.00 74.40 H new ATOM 1058 N LEU A 63 5.619 6.407 6.442 1.00 14.13 N ATOM 1059 CA LEU A 63 4.861 5.316 5.819 1.00 52.30 C ATOM 1060 C LEU A 63 5.675 4.038 6.054 1.00 73.42 C ATOM 1061 O LEU A 63 5.163 3.066 6.614 1.00 32.22 O ATOM 1062 CB LEU A 63 4.610 5.644 4.335 1.00 1.32 C ATOM 1063 CG LEU A 63 4.166 4.517 3.373 1.00 12.14 C ATOM 1064 CD1 LEU A 63 5.340 3.869 2.625 1.00 14.43 C ATOM 1065 CD2 LEU A 63 3.306 3.402 3.985 1.00 14.44 C ATOM 0 H LEU A 63 5.849 7.174 5.810 1.00 14.13 H new ATOM 0 HA LEU A 63 3.870 5.178 6.251 1.00 52.30 H new ATOM 0 HB2 LEU A 63 3.851 6.425 4.296 1.00 1.32 H new ATOM 0 HB3 LEU A 63 5.529 6.073 3.935 1.00 1.32 H new ATOM 0 HG LEU A 63 3.527 5.063 2.679 1.00 12.14 H new ATOM 0 HD11 LEU A 63 4.964 3.086 1.966 1.00 14.43 H new ATOM 0 HD12 LEU A 63 5.856 4.625 2.033 1.00 14.43 H new ATOM 0 HD13 LEU A 63 6.035 3.435 3.344 1.00 14.43 H new ATOM 0 HD21 LEU A 63 3.057 2.671 3.216 1.00 14.44 H new ATOM 0 HD22 LEU A 63 3.861 2.912 4.785 1.00 14.44 H new ATOM 0 HD23 LEU A 63 2.389 3.830 4.389 1.00 14.44 H new ATOM 1077 N ILE A 64 6.964 4.076 5.708 1.00 74.52 N ATOM 1078 CA ILE A 64 7.908 2.985 5.883 1.00 34.51 C ATOM 1079 C ILE A 64 7.933 2.618 7.376 1.00 23.33 C ATOM 1080 O ILE A 64 7.821 1.436 7.693 1.00 53.41 O ATOM 1081 CB ILE A 64 9.295 3.369 5.295 1.00 54.02 C ATOM 1082 CG1 ILE A 64 9.319 3.227 3.750 1.00 3.44 C ATOM 1083 CG2 ILE A 64 10.402 2.508 5.917 1.00 44.24 C ATOM 1084 CD1 ILE A 64 10.422 4.057 3.076 1.00 13.23 C ATOM 0 H ILE A 64 7.388 4.901 5.283 1.00 74.52 H new ATOM 0 HA ILE A 64 7.605 2.096 5.330 1.00 34.51 H new ATOM 0 HB ILE A 64 9.475 4.415 5.542 1.00 54.02 H new ATOM 0 HG12 ILE A 64 9.456 2.177 3.492 1.00 3.44 H new ATOM 0 HG13 ILE A 64 8.351 3.530 3.350 1.00 3.44 H new ATOM 0 HG21 ILE A 64 11.365 2.792 5.493 1.00 44.24 H new ATOM 0 HG22 ILE A 64 10.421 2.663 6.996 1.00 44.24 H new ATOM 0 HG23 ILE A 64 10.208 1.457 5.705 1.00 44.24 H new ATOM 0 HD11 ILE A 64 10.380 3.910 1.997 1.00 13.23 H new ATOM 0 HD12 ILE A 64 10.274 5.112 3.304 1.00 13.23 H new ATOM 0 HD13 ILE A 64 11.396 3.738 3.448 1.00 13.23 H new ATOM 1096 N LYS A 65 8.040 3.574 8.313 1.00 35.33 N ATOM 1097 CA LYS A 65 8.059 3.273 9.748 1.00 24.34 C ATOM 1098 C LYS A 65 6.804 2.509 10.139 1.00 14.23 C ATOM 1099 O LYS A 65 6.924 1.468 10.773 1.00 13.14 O ATOM 1100 CB LYS A 65 8.152 4.548 10.617 1.00 22.25 C ATOM 1101 CG LYS A 65 8.238 4.203 12.126 1.00 1.01 C ATOM 1102 CD LYS A 65 7.754 5.296 13.095 1.00 35.43 C ATOM 1103 CE LYS A 65 6.273 5.667 12.916 1.00 51.00 C ATOM 1104 NZ LYS A 65 5.788 6.576 13.976 1.00 33.52 N ATOM 0 H LYS A 65 8.115 4.568 8.097 1.00 35.33 H new ATOM 0 HA LYS A 65 8.949 2.670 9.930 1.00 24.34 H new ATOM 0 HB2 LYS A 65 9.029 5.126 10.324 1.00 22.25 H new ATOM 0 HB3 LYS A 65 7.281 5.177 10.436 1.00 22.25 H new ATOM 0 HG2 LYS A 65 7.654 3.301 12.306 1.00 1.01 H new ATOM 0 HG3 LYS A 65 9.274 3.965 12.366 1.00 1.01 H new ATOM 0 HD2 LYS A 65 7.914 4.958 14.119 1.00 35.43 H new ATOM 0 HD3 LYS A 65 8.363 6.189 12.955 1.00 35.43 H new ATOM 0 HE2 LYS A 65 6.135 6.140 11.944 1.00 51.00 H new ATOM 0 HE3 LYS A 65 5.671 4.758 12.917 1.00 51.00 H new ATOM 0 HZ1 LYS A 65 4.785 6.797 13.812 1.00 33.52 H new ATOM 0 HZ2 LYS A 65 5.894 6.116 14.903 1.00 33.52 H new ATOM 0 HZ3 LYS A 65 6.343 7.455 13.960 1.00 33.52 H new ATOM 1118 N ILE A 66 5.618 3.006 9.792 1.00 4.21 N ATOM 1119 CA ILE A 66 4.343 2.387 10.123 1.00 53.04 C ATOM 1120 C ILE A 66 4.352 0.961 9.589 1.00 63.10 C ATOM 1121 O ILE A 66 3.980 0.046 10.322 1.00 52.24 O ATOM 1122 CB ILE A 66 3.170 3.257 9.611 1.00 42.41 C ATOM 1123 CG1 ILE A 66 3.150 4.605 10.370 1.00 1.01 C ATOM 1124 CG2 ILE A 66 1.813 2.547 9.786 1.00 13.21 C ATOM 1125 CD1 ILE A 66 2.406 5.707 9.615 1.00 62.10 C ATOM 0 H ILE A 66 5.518 3.871 9.260 1.00 4.21 H new ATOM 0 HA ILE A 66 4.196 2.327 11.201 1.00 53.04 H new ATOM 0 HB ILE A 66 3.324 3.430 8.546 1.00 42.41 H new ATOM 0 HG12 ILE A 66 2.682 4.460 11.344 1.00 1.01 H new ATOM 0 HG13 ILE A 66 4.175 4.927 10.554 1.00 1.01 H new ATOM 0 HG21 ILE A 66 1.015 3.190 9.415 1.00 13.21 H new ATOM 0 HG22 ILE A 66 1.816 1.612 9.225 1.00 13.21 H new ATOM 0 HG23 ILE A 66 1.647 2.335 10.842 1.00 13.21 H new ATOM 0 HD11 ILE A 66 2.428 6.627 10.199 1.00 62.10 H new ATOM 0 HD12 ILE A 66 2.888 5.877 8.652 1.00 62.10 H new ATOM 0 HD13 ILE A 66 1.372 5.403 9.454 1.00 62.10 H new ATOM 1137 N ILE A 67 4.789 0.743 8.346 1.00 14.14 N ATOM 1138 CA ILE A 67 4.839 -0.598 7.791 1.00 24.21 C ATOM 1139 C ILE A 67 5.859 -1.420 8.589 1.00 23.32 C ATOM 1140 O ILE A 67 5.469 -2.487 9.047 1.00 55.03 O ATOM 1141 CB ILE A 67 4.999 -0.569 6.254 1.00 43.04 C ATOM 1142 CG1 ILE A 67 3.622 -0.456 5.542 1.00 11.14 C ATOM 1143 CG2 ILE A 67 5.675 -1.844 5.713 1.00 12.41 C ATOM 1144 CD1 ILE A 67 2.619 0.565 6.102 1.00 53.21 C ATOM 0 H ILE A 67 5.110 1.477 7.714 1.00 14.14 H new ATOM 0 HA ILE A 67 3.891 -1.123 7.910 1.00 24.21 H new ATOM 0 HB ILE A 67 5.620 0.302 6.045 1.00 43.04 H new ATOM 0 HG12 ILE A 67 3.803 -0.211 4.495 1.00 11.14 H new ATOM 0 HG13 ILE A 67 3.150 -1.438 5.563 1.00 11.14 H new ATOM 0 HG21 ILE A 67 5.765 -1.776 4.629 1.00 12.41 H new ATOM 0 HG22 ILE A 67 6.667 -1.945 6.154 1.00 12.41 H new ATOM 0 HG23 ILE A 67 5.072 -2.714 5.973 1.00 12.41 H new ATOM 0 HD11 ILE A 67 1.704 0.538 5.511 1.00 53.21 H new ATOM 0 HD12 ILE A 67 2.389 0.318 7.139 1.00 53.21 H new ATOM 0 HD13 ILE A 67 3.052 1.564 6.054 1.00 53.21 H new ATOM 1156 N ARG A 68 7.102 -0.979 8.847 1.00 53.32 N ATOM 1157 CA ARG A 68 8.059 -1.768 9.620 1.00 35.44 C ATOM 1158 C ARG A 68 7.487 -2.118 10.998 1.00 72.34 C ATOM 1159 O ARG A 68 7.623 -3.255 11.440 1.00 52.11 O ATOM 1160 CB ARG A 68 9.394 -1.010 9.764 1.00 15.21 C ATOM 1161 CG ARG A 68 10.166 -0.823 8.447 1.00 34.51 C ATOM 1162 CD ARG A 68 11.469 -0.026 8.657 1.00 22.11 C ATOM 1163 NE ARG A 68 12.654 -0.879 8.475 1.00 33.33 N ATOM 1164 CZ ARG A 68 13.903 -0.606 8.901 1.00 54.12 C ATOM 1165 NH1 ARG A 68 14.229 0.634 9.270 1.00 14.21 N ATOM 1166 NH2 ARG A 68 14.825 -1.565 8.973 1.00 14.44 N ATOM 0 H ARG A 68 7.462 -0.079 8.529 1.00 53.32 H new ATOM 0 HA ARG A 68 8.247 -2.698 9.083 1.00 35.44 H new ATOM 0 HB2 ARG A 68 9.196 -0.029 10.197 1.00 15.21 H new ATOM 0 HB3 ARG A 68 10.028 -1.547 10.469 1.00 15.21 H new ATOM 0 HG2 ARG A 68 10.401 -1.799 8.021 1.00 34.51 H new ATOM 0 HG3 ARG A 68 9.535 -0.304 7.726 1.00 34.51 H new ATOM 0 HD2 ARG A 68 11.506 0.806 7.954 1.00 22.11 H new ATOM 0 HD3 ARG A 68 11.478 0.403 9.659 1.00 22.11 H new ATOM 0 HE ARG A 68 12.517 -1.760 7.980 1.00 33.33 H new ATOM 0 HH11 ARG A 68 13.532 1.378 9.230 1.00 14.21 H new ATOM 0 HH12 ARG A 68 15.175 0.838 9.592 1.00 14.21 H new ATOM 0 HH21 ARG A 68 14.589 -2.520 8.704 1.00 14.44 H new ATOM 0 HH22 ARG A 68 15.766 -1.344 9.297 1.00 14.44 H new ATOM 1180 N ARG A 69 6.776 -1.184 11.635 1.00 35.25 N ATOM 1181 CA ARG A 69 6.176 -1.332 12.956 1.00 31.22 C ATOM 1182 C ARG A 69 5.188 -2.480 13.019 1.00 3.01 C ATOM 1183 O ARG A 69 5.417 -3.449 13.738 1.00 52.04 O ATOM 1184 CB ARG A 69 5.456 -0.009 13.283 1.00 0.03 C ATOM 1185 CG ARG A 69 5.091 0.135 14.767 1.00 13.24 C ATOM 1186 CD ARG A 69 5.136 1.613 15.189 1.00 71.41 C ATOM 1187 NE ARG A 69 6.519 2.033 15.505 1.00 52.11 N ATOM 1188 CZ ARG A 69 7.058 2.109 16.733 1.00 52.03 C ATOM 1189 NH1 ARG A 69 6.333 1.904 17.824 1.00 44.32 N ATOM 1190 NH2 ARG A 69 8.344 2.381 16.883 1.00 43.11 N ATOM 0 H ARG A 69 6.598 -0.268 11.224 1.00 35.25 H new ATOM 0 HA ARG A 69 6.960 -1.557 13.679 1.00 31.22 H new ATOM 0 HB2 ARG A 69 6.094 0.825 12.991 1.00 0.03 H new ATOM 0 HB3 ARG A 69 4.548 0.059 12.685 1.00 0.03 H new ATOM 0 HG2 ARG A 69 4.095 -0.270 14.944 1.00 13.24 H new ATOM 0 HG3 ARG A 69 5.784 -0.445 15.376 1.00 13.24 H new ATOM 0 HD2 ARG A 69 4.737 2.236 14.388 1.00 71.41 H new ATOM 0 HD3 ARG A 69 4.498 1.766 16.059 1.00 71.41 H new ATOM 0 HE ARG A 69 7.117 2.288 14.719 1.00 52.11 H new ATOM 0 HH11 ARG A 69 5.341 1.682 17.743 1.00 44.32 H new ATOM 0 HH12 ARG A 69 6.768 1.968 18.745 1.00 44.32 H new ATOM 0 HH21 ARG A 69 8.932 2.534 16.064 1.00 43.11 H new ATOM 0 HH22 ARG A 69 8.748 2.437 17.818 1.00 43.11 H new ATOM 1204 N ARG A 70 4.129 -2.424 12.220 1.00 72.54 N ATOM 1205 CA ARG A 70 3.101 -3.464 12.195 1.00 54.03 C ATOM 1206 C ARG A 70 3.612 -4.747 11.575 1.00 14.23 C ATOM 1207 O ARG A 70 3.190 -5.822 11.974 1.00 22.53 O ATOM 1208 CB ARG A 70 1.861 -2.981 11.439 1.00 43.20 C ATOM 1209 CG ARG A 70 2.201 -2.380 10.060 1.00 55.34 C ATOM 1210 CD ARG A 70 1.780 -3.203 8.830 1.00 35.52 C ATOM 1211 NE ARG A 70 0.422 -3.750 8.944 1.00 42.32 N ATOM 1212 CZ ARG A 70 0.036 -5.032 9.009 1.00 51.21 C ATOM 1213 NH1 ARG A 70 0.911 -6.023 8.884 1.00 71.21 N ATOM 1214 NH2 ARG A 70 -1.245 -5.306 9.208 1.00 42.03 N ATOM 0 H ARG A 70 3.956 -1.657 11.570 1.00 72.54 H new ATOM 0 HA ARG A 70 2.832 -3.673 13.230 1.00 54.03 H new ATOM 0 HB2 ARG A 70 1.173 -3.816 11.307 1.00 43.20 H new ATOM 0 HB3 ARG A 70 1.343 -2.233 12.039 1.00 43.20 H new ATOM 0 HG2 ARG A 70 1.732 -1.398 9.991 1.00 55.34 H new ATOM 0 HG3 ARG A 70 3.279 -2.223 10.013 1.00 55.34 H new ATOM 0 HD2 ARG A 70 1.839 -2.575 7.941 1.00 35.52 H new ATOM 0 HD3 ARG A 70 2.485 -4.022 8.689 1.00 35.52 H new ATOM 0 HE ARG A 70 -0.329 -3.061 8.978 1.00 42.32 H new ATOM 0 HH11 ARG A 70 1.899 -5.816 8.735 1.00 71.21 H new ATOM 0 HH12 ARG A 70 0.596 -6.992 8.937 1.00 71.21 H new ATOM 0 HH21 ARG A 70 -1.919 -4.547 9.309 1.00 42.03 H new ATOM 0 HH22 ARG A 70 -1.557 -6.276 9.260 1.00 42.03 H new ATOM 1228 N LEU A 71 4.489 -4.655 10.579 1.00 31.43 N ATOM 1229 CA LEU A 71 5.054 -5.819 9.916 1.00 24.25 C ATOM 1230 C LEU A 71 6.112 -6.485 10.826 1.00 54.33 C ATOM 1231 O LEU A 71 6.615 -7.549 10.491 1.00 75.13 O ATOM 1232 CB LEU A 71 5.655 -5.355 8.576 1.00 63.44 C ATOM 1233 CG LEU A 71 6.195 -6.426 7.620 1.00 64.12 C ATOM 1234 CD1 LEU A 71 5.183 -7.545 7.347 1.00 1.15 C ATOM 1235 CD2 LEU A 71 6.576 -5.754 6.294 1.00 34.25 C ATOM 0 H LEU A 71 4.827 -3.766 10.210 1.00 31.43 H new ATOM 0 HA LEU A 71 4.288 -6.569 9.721 1.00 24.25 H new ATOM 0 HB2 LEU A 71 4.890 -4.789 8.045 1.00 63.44 H new ATOM 0 HB3 LEU A 71 6.468 -4.663 8.796 1.00 63.44 H new ATOM 0 HG LEU A 71 7.061 -6.887 8.095 1.00 64.12 H new ATOM 0 HD11 LEU A 71 5.621 -8.273 6.664 1.00 1.15 H new ATOM 0 HD12 LEU A 71 4.923 -8.037 8.284 1.00 1.15 H new ATOM 0 HD13 LEU A 71 4.285 -7.121 6.898 1.00 1.15 H new ATOM 0 HD21 LEU A 71 6.962 -6.504 5.604 1.00 34.25 H new ATOM 0 HD22 LEU A 71 5.695 -5.280 5.860 1.00 34.25 H new ATOM 0 HD23 LEU A 71 7.342 -5.000 6.475 1.00 34.25 H new ATOM 1247 N GLN A 72 6.426 -5.874 11.983 1.00 4.23 N ATOM 1248 CA GLN A 72 7.407 -6.313 12.976 1.00 0.42 C ATOM 1249 C GLN A 72 8.757 -6.595 12.300 1.00 53.31 C ATOM 1250 O GLN A 72 9.452 -7.544 12.650 1.00 71.12 O ATOM 1251 CB GLN A 72 6.852 -7.467 13.842 1.00 32.12 C ATOM 1252 CG GLN A 72 5.633 -7.095 14.713 1.00 24.13 C ATOM 1253 CD GLN A 72 5.987 -6.282 15.964 1.00 34.21 C ATOM 1254 OE1 GLN A 72 5.977 -6.767 17.091 1.00 3.22 O ATOM 1255 NE2 GLN A 72 6.249 -4.990 15.855 1.00 64.21 N ATOM 0 H GLN A 72 5.969 -5.006 12.261 1.00 4.23 H new ATOM 0 HA GLN A 72 7.599 -5.510 13.688 1.00 0.42 H new ATOM 0 HB2 GLN A 72 6.574 -8.293 13.187 1.00 32.12 H new ATOM 0 HB3 GLN A 72 7.648 -7.830 14.492 1.00 32.12 H new ATOM 0 HG2 GLN A 72 4.928 -6.524 14.109 1.00 24.13 H new ATOM 0 HG3 GLN A 72 5.124 -8.010 15.018 1.00 24.13 H new ATOM 0 HE21 GLN A 72 6.267 -4.549 14.935 1.00 64.21 H new ATOM 0 HE22 GLN A 72 6.433 -4.435 16.691 1.00 64.21 H new ATOM 1264 N LEU A 73 9.121 -5.772 11.306 1.00 12.42 N ATOM 1265 CA LEU A 73 10.362 -5.882 10.543 1.00 61.32 C ATOM 1266 C LEU A 73 11.535 -5.850 11.520 1.00 12.35 C ATOM 1267 O LEU A 73 11.523 -5.054 12.466 1.00 35.42 O ATOM 1268 CB LEU A 73 10.444 -4.730 9.529 1.00 22.14 C ATOM 1269 CG LEU A 73 11.193 -5.005 8.212 1.00 1.25 C ATOM 1270 CD1 LEU A 73 12.632 -5.513 8.334 1.00 73.43 C ATOM 1271 CD2 LEU A 73 10.381 -5.941 7.314 1.00 0.04 C ATOM 0 H LEU A 73 8.539 -4.990 11.006 1.00 12.42 H new ATOM 0 HA LEU A 73 10.393 -6.819 9.987 1.00 61.32 H new ATOM 0 HB2 LEU A 73 9.427 -4.424 9.282 1.00 22.14 H new ATOM 0 HB3 LEU A 73 10.922 -3.882 10.019 1.00 22.14 H new ATOM 0 HG LEU A 73 11.293 -4.017 7.762 1.00 1.25 H new ATOM 0 HD11 LEU A 73 13.049 -5.668 7.339 1.00 73.43 H new ATOM 0 HD12 LEU A 73 13.233 -4.778 8.869 1.00 73.43 H new ATOM 0 HD13 LEU A 73 12.640 -6.455 8.882 1.00 73.43 H new ATOM 0 HD21 LEU A 73 10.928 -6.123 6.389 1.00 0.04 H new ATOM 0 HD22 LEU A 73 10.216 -6.887 7.829 1.00 0.04 H new ATOM 0 HD23 LEU A 73 9.420 -5.481 7.083 1.00 0.04 H new ATOM 1283 N ASN A 74 12.535 -6.696 11.278 1.00 61.24 N ATOM 1284 CA ASN A 74 13.721 -6.836 12.095 1.00 61.42 C ATOM 1285 C ASN A 74 14.458 -5.521 12.242 1.00 40.31 C ATOM 1286 O ASN A 74 14.367 -4.623 11.404 1.00 24.52 O ATOM 1287 CB ASN A 74 14.652 -7.916 11.502 1.00 53.04 C ATOM 1288 CG ASN A 74 14.733 -9.174 12.352 1.00 22.41 C ATOM 1289 OD1 ASN A 74 15.423 -10.182 11.872 1.00 13.23 O flip ATOM 1290 ND2 ASN A 74 14.205 -9.250 13.457 1.00 64.30 N flip ATOM 0 H ASN A 74 12.533 -7.324 10.474 1.00 61.24 H new ATOM 0 HA ASN A 74 13.405 -7.147 13.091 1.00 61.42 H new ATOM 0 HB2 ASN A 74 14.300 -8.182 10.505 1.00 53.04 H new ATOM 0 HB3 ASN A 74 15.653 -7.499 11.386 1.00 53.04 H new ATOM 0 HD21 ASN A 74 13.671 -8.462 13.822 1.00 64.30 H new ATOM 0 HD22 ASN A 74 14.301 -10.101 14.010 1.00 64.30 H new ATOM 1297 N ALA A 75 15.198 -5.418 13.335 1.00 41.31 N ATOM 1298 CA ALA A 75 15.996 -4.251 13.666 1.00 11.45 C ATOM 1299 C ALA A 75 17.385 -4.411 13.066 1.00 44.32 C ATOM 1300 O ALA A 75 18.041 -3.423 12.742 1.00 32.52 O ATOM 1301 CB ALA A 75 16.103 -4.120 15.189 1.00 72.24 C ATOM 0 H ALA A 75 15.261 -6.161 14.031 1.00 41.31 H new ATOM 0 HA ALA A 75 15.525 -3.355 13.262 1.00 11.45 H new ATOM 0 HB1 ALA A 75 16.702 -3.244 15.438 1.00 72.24 H new ATOM 0 HB2 ALA A 75 15.106 -4.011 15.616 1.00 72.24 H new ATOM 0 HB3 ALA A 75 16.577 -5.012 15.598 1.00 72.24 H new ATOM 1307 N ASN A 76 17.813 -5.668 12.938 1.00 12.12 N ATOM 1308 CA ASN A 76 19.111 -6.061 12.405 1.00 72.50 C ATOM 1309 C ASN A 76 19.112 -6.067 10.888 1.00 55.30 C ATOM 1310 O ASN A 76 20.197 -6.139 10.305 1.00 75.52 O ATOM 1311 CB ASN A 76 19.536 -7.425 12.964 1.00 75.24 C ATOM 1312 CG ASN A 76 18.392 -8.415 12.937 1.00 73.42 C ATOM 1313 OD1 ASN A 76 17.571 -8.434 13.852 1.00 74.41 O ATOM 1314 ND2 ASN A 76 18.227 -9.139 11.858 1.00 61.21 N ATOM 0 H ASN A 76 17.242 -6.467 13.214 1.00 12.12 H new ATOM 0 HA ASN A 76 19.841 -5.318 12.726 1.00 72.50 H new ATOM 0 HB2 ASN A 76 20.370 -7.815 12.381 1.00 75.24 H new ATOM 0 HB3 ASN A 76 19.891 -7.305 13.988 1.00 75.24 H new ATOM 0 HD21 ASN A 76 17.404 -9.734 11.764 1.00 61.21 H new ATOM 0 HD22 ASN A 76 18.921 -9.107 11.111 1.00 61.21 H new ATOM 1321 N GLN A 77 17.942 -5.963 10.244 1.00 33.33 N ATOM 1322 CA GLN A 77 17.878 -5.948 8.786 1.00 4.01 C ATOM 1323 C GLN A 77 17.134 -4.715 8.281 1.00 31.52 C ATOM 1324 O GLN A 77 16.237 -4.193 8.948 1.00 15.02 O ATOM 1325 CB GLN A 77 17.351 -7.286 8.240 1.00 40.10 C ATOM 1326 CG GLN A 77 15.868 -7.310 7.841 1.00 54.41 C ATOM 1327 CD GLN A 77 15.481 -8.682 7.301 1.00 54.13 C ATOM 1328 OE1 GLN A 77 14.712 -9.413 7.917 1.00 12.32 O ATOM 1329 NE2 GLN A 77 16.008 -9.084 6.159 1.00 20.35 N ATOM 0 H GLN A 77 17.037 -5.889 10.709 1.00 33.33 H new ATOM 0 HA GLN A 77 18.887 -5.855 8.384 1.00 4.01 H new ATOM 0 HB2 GLN A 77 17.946 -7.561 7.369 1.00 40.10 H new ATOM 0 HB3 GLN A 77 17.517 -8.055 8.995 1.00 40.10 H new ATOM 0 HG2 GLN A 77 15.249 -7.065 8.704 1.00 54.41 H new ATOM 0 HG3 GLN A 77 15.677 -6.548 7.085 1.00 54.41 H new ATOM 0 HE21 GLN A 77 16.647 -8.474 5.649 1.00 20.35 H new ATOM 0 HE22 GLN A 77 15.776 -10.005 5.786 1.00 20.35 H new ATOM 1338 N ALA A 78 17.499 -4.274 7.081 1.00 64.52 N ATOM 1339 CA ALA A 78 16.924 -3.124 6.400 1.00 3.45 C ATOM 1340 C ALA A 78 16.212 -3.601 5.136 1.00 51.34 C ATOM 1341 O ALA A 78 16.251 -4.790 4.807 1.00 71.41 O ATOM 1342 CB ALA A 78 18.037 -2.109 6.116 1.00 2.45 C ATOM 0 H ALA A 78 18.233 -4.728 6.537 1.00 64.52 H new ATOM 0 HA ALA A 78 16.180 -2.623 7.019 1.00 3.45 H new ATOM 0 HB1 ALA A 78 17.617 -1.242 5.605 1.00 2.45 H new ATOM 0 HB2 ALA A 78 18.489 -1.793 7.056 1.00 2.45 H new ATOM 0 HB3 ALA A 78 18.797 -2.569 5.484 1.00 2.45 H new ATOM 1348 N PHE A 79 15.501 -2.704 4.454 1.00 54.10 N ATOM 1349 CA PHE A 79 14.793 -3.049 3.227 1.00 62.43 C ATOM 1350 C PHE A 79 14.644 -1.820 2.336 1.00 13.44 C ATOM 1351 O PHE A 79 14.958 -0.705 2.767 1.00 5.42 O ATOM 1352 CB PHE A 79 13.418 -3.641 3.571 1.00 14.13 C ATOM 1353 CG PHE A 79 12.313 -2.635 3.803 1.00 53.21 C ATOM 1354 CD1 PHE A 79 12.370 -1.763 4.901 1.00 5.32 C ATOM 1355 CD2 PHE A 79 11.251 -2.537 2.885 1.00 11.43 C ATOM 1356 CE1 PHE A 79 11.363 -0.807 5.082 1.00 12.11 C ATOM 1357 CE2 PHE A 79 10.231 -1.591 3.080 1.00 2.44 C ATOM 1358 CZ PHE A 79 10.281 -0.730 4.188 1.00 71.44 C ATOM 0 H PHE A 79 15.401 -1.728 4.734 1.00 54.10 H new ATOM 0 HA PHE A 79 15.369 -3.795 2.680 1.00 62.43 H new ATOM 0 HB2 PHE A 79 13.116 -4.306 2.762 1.00 14.13 H new ATOM 0 HB3 PHE A 79 13.520 -4.255 4.466 1.00 14.13 H new ATOM 0 HD1 PHE A 79 13.187 -1.829 5.604 1.00 5.32 H new ATOM 0 HD2 PHE A 79 11.220 -3.192 2.027 1.00 11.43 H new ATOM 0 HE1 PHE A 79 11.418 -0.123 5.916 1.00 12.11 H new ATOM 0 HE2 PHE A 79 9.411 -1.526 2.380 1.00 2.44 H new ATOM 0 HZ PHE A 79 9.492 -0.012 4.353 1.00 71.44 H new ATOM 1368 N PHE A 80 14.138 -2.003 1.117 1.00 14.43 N ATOM 1369 CA PHE A 80 13.904 -0.935 0.157 1.00 61.44 C ATOM 1370 C PHE A 80 12.505 -1.087 -0.420 1.00 52.43 C ATOM 1371 O PHE A 80 11.870 -2.147 -0.364 1.00 50.02 O ATOM 1372 CB PHE A 80 14.962 -0.920 -0.954 1.00 73.32 C ATOM 1373 CG PHE A 80 16.385 -0.754 -0.456 1.00 10.24 C ATOM 1374 CD1 PHE A 80 16.912 0.535 -0.247 1.00 51.43 C ATOM 1375 CD2 PHE A 80 17.190 -1.881 -0.212 1.00 32.42 C ATOM 1376 CE1 PHE A 80 18.236 0.696 0.197 1.00 25.42 C ATOM 1377 CE2 PHE A 80 18.522 -1.721 0.203 1.00 45.23 C ATOM 1378 CZ PHE A 80 19.041 -0.434 0.420 1.00 14.31 C ATOM 0 H PHE A 80 13.874 -2.923 0.765 1.00 14.43 H new ATOM 0 HA PHE A 80 13.985 0.022 0.672 1.00 61.44 H new ATOM 0 HB2 PHE A 80 14.893 -1.850 -1.519 1.00 73.32 H new ATOM 0 HB3 PHE A 80 14.734 -0.109 -1.646 1.00 73.32 H new ATOM 0 HD1 PHE A 80 16.296 1.404 -0.429 1.00 51.43 H new ATOM 0 HD2 PHE A 80 16.783 -2.872 -0.344 1.00 32.42 H new ATOM 0 HE1 PHE A 80 18.634 1.686 0.366 1.00 25.42 H new ATOM 0 HE2 PHE A 80 19.148 -2.588 0.355 1.00 45.23 H new ATOM 0 HZ PHE A 80 20.059 -0.313 0.758 1.00 14.31 H new ATOM 1388 N LEU A 81 12.035 0.015 -0.984 1.00 44.30 N ATOM 1389 CA LEU A 81 10.735 0.167 -1.589 1.00 63.54 C ATOM 1390 C LEU A 81 10.965 0.753 -2.978 1.00 21.42 C ATOM 1391 O LEU A 81 11.719 1.717 -3.131 1.00 54.32 O ATOM 1392 CB LEU A 81 9.920 1.067 -0.648 1.00 33.14 C ATOM 1393 CG LEU A 81 8.401 0.986 -0.836 1.00 51.31 C ATOM 1394 CD1 LEU A 81 7.714 1.725 0.320 1.00 50.12 C ATOM 1395 CD2 LEU A 81 7.940 1.567 -2.171 1.00 22.12 C ATOM 0 H LEU A 81 12.587 0.871 -1.031 1.00 44.30 H new ATOM 0 HA LEU A 81 10.176 -0.760 -1.719 1.00 63.54 H new ATOM 0 HB2 LEU A 81 10.159 0.802 0.382 1.00 33.14 H new ATOM 0 HB3 LEU A 81 10.235 2.100 -0.793 1.00 33.14 H new ATOM 0 HG LEU A 81 8.123 -0.068 -0.838 1.00 51.31 H new ATOM 0 HD11 LEU A 81 6.633 1.672 0.194 1.00 50.12 H new ATOM 0 HD12 LEU A 81 7.992 1.260 1.266 1.00 50.12 H new ATOM 0 HD13 LEU A 81 8.028 2.769 0.323 1.00 50.12 H new ATOM 0 HD21 LEU A 81 6.856 1.483 -2.250 1.00 22.12 H new ATOM 0 HD22 LEU A 81 8.228 2.617 -2.230 1.00 22.12 H new ATOM 0 HD23 LEU A 81 8.407 1.017 -2.988 1.00 22.12 H new ATOM 1407 N LEU A 82 10.404 0.110 -3.995 1.00 43.14 N ATOM 1408 CA LEU A 82 10.492 0.515 -5.388 1.00 12.04 C ATOM 1409 C LEU A 82 9.105 1.030 -5.763 1.00 54.13 C ATOM 1410 O LEU A 82 8.094 0.377 -5.483 1.00 22.45 O ATOM 1411 CB LEU A 82 10.954 -0.640 -6.287 1.00 73.14 C ATOM 1412 CG LEU A 82 12.220 -1.386 -5.809 1.00 25.51 C ATOM 1413 CD1 LEU A 82 11.855 -2.639 -5.003 1.00 23.11 C ATOM 1414 CD2 LEU A 82 13.052 -1.785 -7.035 1.00 22.14 C ATOM 0 H LEU A 82 9.855 -0.740 -3.864 1.00 43.14 H new ATOM 0 HA LEU A 82 11.242 1.293 -5.531 1.00 12.04 H new ATOM 0 HB2 LEU A 82 10.140 -1.359 -6.373 1.00 73.14 H new ATOM 0 HB3 LEU A 82 11.140 -0.248 -7.287 1.00 73.14 H new ATOM 0 HG LEU A 82 12.794 -0.724 -5.160 1.00 25.51 H new ATOM 0 HD11 LEU A 82 12.766 -3.142 -4.681 1.00 23.11 H new ATOM 0 HD12 LEU A 82 11.270 -2.352 -4.129 1.00 23.11 H new ATOM 0 HD13 LEU A 82 11.269 -3.314 -5.626 1.00 23.11 H new ATOM 0 HD21 LEU A 82 13.949 -2.313 -6.710 1.00 22.14 H new ATOM 0 HD22 LEU A 82 12.461 -2.436 -7.679 1.00 22.14 H new ATOM 0 HD23 LEU A 82 13.338 -0.890 -7.588 1.00 22.14 H new ATOM 1426 N VAL A 83 9.036 2.207 -6.374 1.00 70.41 N ATOM 1427 CA VAL A 83 7.775 2.830 -6.764 1.00 61.44 C ATOM 1428 C VAL A 83 7.529 2.441 -8.213 1.00 73.20 C ATOM 1429 O VAL A 83 8.417 2.581 -9.047 1.00 32.13 O ATOM 1430 CB VAL A 83 7.824 4.340 -6.480 1.00 53.12 C ATOM 1431 CG1 VAL A 83 6.407 4.915 -6.622 1.00 4.32 C ATOM 1432 CG2 VAL A 83 8.287 4.631 -5.041 1.00 71.21 C ATOM 0 H VAL A 83 9.858 2.760 -6.615 1.00 70.41 H new ATOM 0 HA VAL A 83 6.922 2.482 -6.182 1.00 61.44 H new ATOM 0 HB VAL A 83 8.524 4.789 -7.184 1.00 53.12 H new ATOM 0 HG11 VAL A 83 6.427 5.986 -6.423 1.00 4.32 H new ATOM 0 HG12 VAL A 83 6.044 4.741 -7.635 1.00 4.32 H new ATOM 0 HG13 VAL A 83 5.743 4.426 -5.909 1.00 4.32 H new ATOM 0 HG21 VAL A 83 8.309 5.708 -4.877 1.00 71.21 H new ATOM 0 HG22 VAL A 83 7.595 4.171 -4.336 1.00 71.21 H new ATOM 0 HG23 VAL A 83 9.285 4.220 -4.890 1.00 71.21 H new ATOM 1442 N ASN A 84 6.371 1.838 -8.505 1.00 21.12 N ATOM 1443 CA ASN A 84 5.968 1.328 -9.824 1.00 74.12 C ATOM 1444 C ASN A 84 6.863 0.162 -10.287 1.00 51.20 C ATOM 1445 O ASN A 84 6.502 -0.552 -11.220 1.00 42.12 O ATOM 1446 CB ASN A 84 5.843 2.435 -10.898 1.00 31.45 C ATOM 1447 CG ASN A 84 4.461 3.077 -10.919 1.00 45.32 C ATOM 1448 OD1 ASN A 84 3.455 2.390 -10.777 1.00 71.24 O ATOM 1449 ND2 ASN A 84 4.369 4.378 -11.114 1.00 64.30 N ATOM 0 H ASN A 84 5.654 1.684 -7.796 1.00 21.12 H new ATOM 0 HA ASN A 84 4.961 0.930 -9.697 1.00 74.12 H new ATOM 0 HB2 ASN A 84 6.594 3.203 -10.712 1.00 31.45 H new ATOM 0 HB3 ASN A 84 6.057 2.011 -11.879 1.00 31.45 H new ATOM 0 HD21 ASN A 84 3.453 4.825 -11.148 1.00 64.30 H new ATOM 0 HD22 ASN A 84 5.214 4.937 -11.231 1.00 64.30 H new ATOM 1456 N GLY A 85 7.954 -0.109 -9.565 1.00 23.55 N ATOM 1457 CA GLY A 85 8.964 -1.126 -9.795 1.00 4.21 C ATOM 1458 C GLY A 85 10.355 -0.499 -9.973 1.00 51.22 C ATOM 1459 O GLY A 85 11.303 -1.214 -10.315 1.00 73.32 O ATOM 0 H GLY A 85 8.165 0.434 -8.728 1.00 23.55 H new ATOM 0 HA2 GLY A 85 8.981 -1.822 -8.956 1.00 4.21 H new ATOM 0 HA3 GLY A 85 8.706 -1.704 -10.683 1.00 4.21 H new ATOM 1463 N HIS A 86 10.493 0.805 -9.692 1.00 45.22 N ATOM 1464 CA HIS A 86 11.705 1.599 -9.826 1.00 71.40 C ATOM 1465 C HIS A 86 11.997 2.339 -8.510 1.00 10.25 C ATOM 1466 O HIS A 86 11.176 3.095 -7.995 1.00 2.32 O ATOM 1467 CB HIS A 86 11.495 2.567 -11.009 1.00 33.51 C ATOM 1468 CG HIS A 86 10.926 1.904 -12.251 1.00 10.15 C ATOM 1469 ND1 HIS A 86 11.628 1.133 -13.148 1.00 10.01 N ATOM 1470 CD2 HIS A 86 9.609 1.887 -12.638 1.00 24.44 C ATOM 1471 CE1 HIS A 86 10.760 0.652 -14.052 1.00 30.34 C ATOM 1472 NE2 HIS A 86 9.516 1.103 -13.800 1.00 34.23 N ATOM 0 H HIS A 86 9.710 1.359 -9.345 1.00 45.22 H new ATOM 0 HA HIS A 86 12.573 0.972 -10.028 1.00 71.40 H new ATOM 0 HB2 HIS A 86 10.824 3.367 -10.696 1.00 33.51 H new ATOM 0 HB3 HIS A 86 12.449 3.030 -11.261 1.00 33.51 H new ATOM 0 HD2 HIS A 86 8.792 2.386 -12.139 1.00 24.44 H new ATOM 0 HE1 HIS A 86 11.023 -0.005 -14.868 1.00 30.34 H new ATOM 0 HE2 HIS A 86 8.674 0.913 -14.344 1.00 34.23 H new ATOM 1480 N SER A 87 13.146 2.082 -7.893 1.00 51.33 N ATOM 1481 CA SER A 87 13.573 2.707 -6.647 1.00 45.30 C ATOM 1482 C SER A 87 14.390 3.962 -6.993 1.00 4.34 C ATOM 1483 O SER A 87 15.617 3.880 -7.147 1.00 62.14 O ATOM 1484 CB SER A 87 14.356 1.673 -5.816 1.00 1.02 C ATOM 1485 OG SER A 87 14.106 1.806 -4.431 1.00 13.21 O ATOM 0 H SER A 87 13.825 1.414 -8.257 1.00 51.33 H new ATOM 0 HA SER A 87 12.729 3.027 -6.036 1.00 45.30 H new ATOM 0 HB2 SER A 87 14.084 0.668 -6.138 1.00 1.02 H new ATOM 0 HB3 SER A 87 15.423 1.790 -6.004 1.00 1.02 H new ATOM 0 HG SER A 87 13.145 1.715 -4.262 1.00 13.21 H new ATOM 1491 N MET A 88 13.727 5.115 -7.179 1.00 41.13 N ATOM 1492 CA MET A 88 14.426 6.370 -7.503 1.00 71.32 C ATOM 1493 C MET A 88 13.994 7.607 -6.702 1.00 10.41 C ATOM 1494 O MET A 88 14.422 8.705 -7.058 1.00 5.04 O ATOM 1495 CB MET A 88 14.415 6.631 -9.021 1.00 41.42 C ATOM 1496 CG MET A 88 13.028 6.947 -9.590 1.00 22.12 C ATOM 1497 SD MET A 88 13.091 7.868 -11.149 1.00 31.52 S ATOM 1498 CE MET A 88 11.327 8.091 -11.497 1.00 25.11 C ATOM 0 H MET A 88 12.713 5.205 -7.111 1.00 41.13 H new ATOM 0 HA MET A 88 15.452 6.205 -7.175 1.00 71.32 H new ATOM 0 HB2 MET A 88 15.084 7.463 -9.241 1.00 41.42 H new ATOM 0 HB3 MET A 88 14.815 5.756 -9.533 1.00 41.42 H new ATOM 0 HG2 MET A 88 12.486 6.015 -9.748 1.00 22.12 H new ATOM 0 HG3 MET A 88 12.464 7.524 -8.857 1.00 22.12 H new ATOM 0 HE1 MET A 88 11.207 8.643 -12.429 1.00 25.11 H new ATOM 0 HE2 MET A 88 10.848 7.116 -11.589 1.00 25.11 H new ATOM 0 HE3 MET A 88 10.863 8.648 -10.683 1.00 25.11 H new ATOM 1508 N VAL A 89 13.180 7.485 -5.646 1.00 50.44 N ATOM 1509 CA VAL A 89 12.726 8.648 -4.874 1.00 64.30 C ATOM 1510 C VAL A 89 13.187 8.591 -3.414 1.00 45.03 C ATOM 1511 O VAL A 89 13.277 7.516 -2.809 1.00 65.51 O ATOM 1512 CB VAL A 89 11.208 8.839 -5.092 1.00 4.11 C ATOM 1513 CG1 VAL A 89 10.354 7.615 -4.729 1.00 41.41 C ATOM 1514 CG2 VAL A 89 10.647 10.060 -4.356 1.00 61.14 C ATOM 0 H VAL A 89 12.822 6.592 -5.307 1.00 50.44 H new ATOM 0 HA VAL A 89 13.204 9.556 -5.242 1.00 64.30 H new ATOM 0 HB VAL A 89 11.133 8.994 -6.168 1.00 4.11 H new ATOM 0 HG11 VAL A 89 9.303 7.837 -4.913 1.00 41.41 H new ATOM 0 HG12 VAL A 89 10.658 6.765 -5.341 1.00 41.41 H new ATOM 0 HG13 VAL A 89 10.495 7.373 -3.676 1.00 41.41 H new ATOM 0 HG21 VAL A 89 9.577 10.141 -4.548 1.00 61.14 H new ATOM 0 HG22 VAL A 89 10.816 9.949 -3.285 1.00 61.14 H new ATOM 0 HG23 VAL A 89 11.148 10.961 -4.711 1.00 61.14 H new ATOM 1524 N SER A 90 13.468 9.772 -2.855 1.00 45.13 N ATOM 1525 CA SER A 90 13.928 10.010 -1.493 1.00 71.40 C ATOM 1526 C SER A 90 12.967 9.469 -0.431 1.00 13.43 C ATOM 1527 O SER A 90 11.823 9.106 -0.705 1.00 23.42 O ATOM 1528 CB SER A 90 14.116 11.520 -1.282 1.00 74.43 C ATOM 1529 OG SER A 90 15.163 12.031 -2.079 1.00 44.32 O ATOM 0 H SER A 90 13.372 10.641 -3.381 1.00 45.13 H new ATOM 0 HA SER A 90 14.870 9.475 -1.374 1.00 71.40 H new ATOM 0 HB2 SER A 90 13.188 12.040 -1.522 1.00 74.43 H new ATOM 0 HB3 SER A 90 14.329 11.717 -0.231 1.00 74.43 H new ATOM 0 HG SER A 90 15.254 12.994 -1.921 1.00 44.32 H new ATOM 1535 N VAL A 91 13.429 9.468 0.818 1.00 1.12 N ATOM 1536 CA VAL A 91 12.663 8.988 1.961 1.00 1.43 C ATOM 1537 C VAL A 91 11.765 10.102 2.554 1.00 71.50 C ATOM 1538 O VAL A 91 10.768 9.792 3.206 1.00 5.41 O ATOM 1539 CB VAL A 91 13.640 8.392 3.011 1.00 43.24 C ATOM 1540 CG1 VAL A 91 12.921 7.424 3.954 1.00 2.14 C ATOM 1541 CG2 VAL A 91 14.808 7.575 2.426 1.00 65.13 C ATOM 0 H VAL A 91 14.359 9.806 1.065 1.00 1.12 H new ATOM 0 HA VAL A 91 11.982 8.201 1.636 1.00 1.43 H new ATOM 0 HB VAL A 91 14.028 9.279 3.512 1.00 43.24 H new ATOM 0 HG11 VAL A 91 13.632 7.024 4.677 1.00 2.14 H new ATOM 0 HG12 VAL A 91 12.126 7.952 4.481 1.00 2.14 H new ATOM 0 HG13 VAL A 91 12.492 6.605 3.377 1.00 2.14 H new ATOM 0 HG21 VAL A 91 15.433 7.202 3.237 1.00 65.13 H new ATOM 0 HG22 VAL A 91 14.414 6.734 1.855 1.00 65.13 H new ATOM 0 HG23 VAL A 91 15.404 8.210 1.771 1.00 65.13 H new ATOM 1551 N SER A 92 12.038 11.392 2.319 1.00 43.40 N ATOM 1552 CA SER A 92 11.233 12.487 2.882 1.00 22.43 C ATOM 1553 C SER A 92 10.123 13.043 1.979 1.00 70.31 C ATOM 1554 O SER A 92 9.331 13.873 2.430 1.00 4.01 O ATOM 1555 CB SER A 92 12.163 13.617 3.322 1.00 11.05 C ATOM 1556 OG SER A 92 13.184 13.141 4.191 1.00 12.03 O ATOM 0 H SER A 92 12.816 11.706 1.739 1.00 43.40 H new ATOM 0 HA SER A 92 10.699 12.046 3.724 1.00 22.43 H new ATOM 0 HB2 SER A 92 12.616 14.080 2.445 1.00 11.05 H new ATOM 0 HB3 SER A 92 11.584 14.390 3.827 1.00 11.05 H new ATOM 0 HG SER A 92 13.764 13.886 4.454 1.00 12.03 H new ATOM 1562 N THR A 93 10.024 12.577 0.741 1.00 30.12 N ATOM 1563 CA THR A 93 9.049 13.012 -0.248 1.00 73.51 C ATOM 1564 C THR A 93 7.587 12.827 0.220 1.00 64.24 C ATOM 1565 O THR A 93 7.266 11.751 0.739 1.00 63.43 O ATOM 1566 CB THR A 93 9.318 12.188 -1.522 1.00 74.13 C ATOM 1567 OG1 THR A 93 10.711 12.032 -1.739 1.00 32.43 O ATOM 1568 CG2 THR A 93 8.724 12.842 -2.763 1.00 51.03 C ATOM 0 H THR A 93 10.649 11.854 0.384 1.00 30.12 H new ATOM 0 HA THR A 93 9.162 14.082 -0.422 1.00 73.51 H new ATOM 0 HB THR A 93 8.844 11.219 -1.362 1.00 74.13 H new ATOM 0 HG1 THR A 93 10.990 11.140 -1.445 1.00 32.43 H new ATOM 0 HG21 THR A 93 8.938 12.226 -3.637 1.00 51.03 H new ATOM 0 HG22 THR A 93 7.645 12.938 -2.643 1.00 51.03 H new ATOM 0 HG23 THR A 93 9.163 13.830 -2.899 1.00 51.03 H new ATOM 1576 N PRO A 94 6.693 13.826 0.050 1.00 11.15 N ATOM 1577 CA PRO A 94 5.291 13.699 0.434 1.00 10.02 C ATOM 1578 C PRO A 94 4.617 12.705 -0.519 1.00 12.04 C ATOM 1579 O PRO A 94 4.811 12.745 -1.747 1.00 43.23 O ATOM 1580 CB PRO A 94 4.668 15.091 0.326 1.00 72.41 C ATOM 1581 CG PRO A 94 5.587 15.840 -0.640 1.00 32.54 C ATOM 1582 CD PRO A 94 6.944 15.141 -0.523 1.00 3.02 C ATOM 0 HA PRO A 94 5.170 13.327 1.451 1.00 10.02 H new ATOM 0 HB2 PRO A 94 3.647 15.042 -0.053 1.00 72.41 H new ATOM 0 HB3 PRO A 94 4.624 15.584 1.297 1.00 72.41 H new ATOM 0 HG2 PRO A 94 5.207 15.795 -1.661 1.00 32.54 H new ATOM 0 HG3 PRO A 94 5.663 16.894 -0.375 1.00 32.54 H new ATOM 0 HD2 PRO A 94 7.419 15.052 -1.500 1.00 3.02 H new ATOM 0 HD3 PRO A 94 7.621 15.715 0.109 1.00 3.02 H new ATOM 1590 N ILE A 95 3.768 11.832 0.033 1.00 14.02 N ATOM 1591 CA ILE A 95 3.112 10.833 -0.792 1.00 72.24 C ATOM 1592 C ILE A 95 2.156 11.469 -1.804 1.00 45.24 C ATOM 1593 O ILE A 95 1.839 10.825 -2.801 1.00 2.41 O ATOM 1594 CB ILE A 95 2.546 9.699 0.087 1.00 44.44 C ATOM 1595 CG1 ILE A 95 2.344 8.367 -0.680 1.00 61.11 C ATOM 1596 CG2 ILE A 95 1.283 10.146 0.837 1.00 21.24 C ATOM 1597 CD1 ILE A 95 3.660 7.685 -1.083 1.00 1.02 C ATOM 0 H ILE A 95 3.528 11.802 1.024 1.00 14.02 H new ATOM 0 HA ILE A 95 3.839 10.337 -1.434 1.00 72.24 H new ATOM 0 HB ILE A 95 3.308 9.482 0.836 1.00 44.44 H new ATOM 0 HG12 ILE A 95 1.766 7.683 -0.059 1.00 61.11 H new ATOM 0 HG13 ILE A 95 1.754 8.559 -1.576 1.00 61.11 H new ATOM 0 HG21 ILE A 95 0.911 9.322 1.446 1.00 21.24 H new ATOM 0 HG22 ILE A 95 1.522 10.994 1.479 1.00 21.24 H new ATOM 0 HG23 ILE A 95 0.518 10.440 0.118 1.00 21.24 H new ATOM 0 HD11 ILE A 95 3.442 6.759 -1.615 1.00 1.02 H new ATOM 0 HD12 ILE A 95 4.231 8.350 -1.731 1.00 1.02 H new ATOM 0 HD13 ILE A 95 4.242 7.461 -0.189 1.00 1.02 H new ATOM 1609 N SER A 96 1.698 12.712 -1.589 1.00 31.53 N ATOM 1610 CA SER A 96 0.818 13.349 -2.557 1.00 24.51 C ATOM 1611 C SER A 96 1.625 13.671 -3.821 1.00 25.45 C ATOM 1612 O SER A 96 1.060 13.551 -4.908 1.00 54.31 O ATOM 1613 CB SER A 96 0.112 14.563 -1.954 1.00 51.41 C ATOM 1614 OG SER A 96 -1.003 14.964 -2.736 1.00 21.14 O ATOM 0 H SER A 96 1.921 13.278 -0.770 1.00 31.53 H new ATOM 0 HA SER A 96 0.015 12.669 -2.840 1.00 24.51 H new ATOM 0 HB2 SER A 96 -0.219 14.326 -0.943 1.00 51.41 H new ATOM 0 HB3 SER A 96 0.817 15.391 -1.873 1.00 51.41 H new ATOM 0 HG SER A 96 -1.431 15.741 -2.321 1.00 21.14 H new ATOM 1620 N GLU A 97 2.891 14.119 -3.729 1.00 1.11 N ATOM 1621 CA GLU A 97 3.647 14.387 -4.957 1.00 10.02 C ATOM 1622 C GLU A 97 3.966 13.042 -5.608 1.00 50.34 C ATOM 1623 O GLU A 97 3.864 12.916 -6.831 1.00 11.13 O ATOM 1624 CB GLU A 97 4.888 15.279 -4.793 1.00 41.42 C ATOM 1625 CG GLU A 97 6.151 14.575 -4.300 1.00 74.41 C ATOM 1626 CD GLU A 97 7.419 15.344 -4.647 1.00 10.21 C ATOM 1627 OE1 GLU A 97 7.691 16.365 -3.976 1.00 61.20 O ATOM 1628 OE2 GLU A 97 8.168 14.881 -5.545 1.00 10.02 O ATOM 0 H GLU A 97 3.390 14.295 -2.857 1.00 1.11 H new ATOM 0 HA GLU A 97 3.018 14.994 -5.608 1.00 10.02 H new ATOM 0 HB2 GLU A 97 5.106 15.746 -5.753 1.00 41.42 H new ATOM 0 HB3 GLU A 97 4.646 16.081 -4.096 1.00 41.42 H new ATOM 0 HG2 GLU A 97 6.093 14.445 -3.219 1.00 74.41 H new ATOM 0 HG3 GLU A 97 6.203 13.578 -4.738 1.00 74.41 H new ATOM 1635 N VAL A 98 4.303 12.025 -4.793 1.00 22.33 N ATOM 1636 CA VAL A 98 4.602 10.704 -5.347 1.00 11.43 C ATOM 1637 C VAL A 98 3.365 10.245 -6.129 1.00 62.10 C ATOM 1638 O VAL A 98 3.498 9.752 -7.243 1.00 74.51 O ATOM 1639 CB VAL A 98 5.035 9.718 -4.244 1.00 62.51 C ATOM 1640 CG1 VAL A 98 5.342 8.315 -4.792 1.00 23.44 C ATOM 1641 CG2 VAL A 98 6.303 10.202 -3.523 1.00 13.11 C ATOM 0 H VAL A 98 4.372 12.094 -3.778 1.00 22.33 H new ATOM 0 HA VAL A 98 5.452 10.746 -6.028 1.00 11.43 H new ATOM 0 HB VAL A 98 4.189 9.670 -3.558 1.00 62.51 H new ATOM 0 HG11 VAL A 98 5.642 7.662 -3.972 1.00 23.44 H new ATOM 0 HG12 VAL A 98 4.452 7.909 -5.272 1.00 23.44 H new ATOM 0 HG13 VAL A 98 6.151 8.378 -5.520 1.00 23.44 H new ATOM 0 HG21 VAL A 98 6.580 9.483 -2.752 1.00 13.11 H new ATOM 0 HG22 VAL A 98 7.117 10.295 -4.242 1.00 13.11 H new ATOM 0 HG23 VAL A 98 6.112 11.172 -3.063 1.00 13.11 H new ATOM 1651 N TYR A 99 2.163 10.478 -5.597 1.00 74.30 N ATOM 1652 CA TYR A 99 0.918 10.109 -6.238 1.00 73.40 C ATOM 1653 C TYR A 99 0.763 10.766 -7.600 1.00 30.53 C ATOM 1654 O TYR A 99 0.555 10.058 -8.575 1.00 61.11 O ATOM 1655 CB TYR A 99 -0.269 10.530 -5.370 1.00 71.14 C ATOM 1656 CG TYR A 99 -1.621 10.024 -5.844 1.00 23.51 C ATOM 1657 CD1 TYR A 99 -1.798 8.673 -6.206 1.00 12.40 C ATOM 1658 CD2 TYR A 99 -2.725 10.895 -5.863 1.00 72.21 C ATOM 1659 CE1 TYR A 99 -3.068 8.189 -6.556 1.00 13.42 C ATOM 1660 CE2 TYR A 99 -4.000 10.423 -6.221 1.00 62.53 C ATOM 1661 CZ TYR A 99 -4.179 9.063 -6.560 1.00 1.02 C ATOM 1662 OH TYR A 99 -5.420 8.601 -6.863 1.00 13.10 O ATOM 0 H TYR A 99 2.035 10.936 -4.695 1.00 74.30 H new ATOM 0 HA TYR A 99 0.939 9.027 -6.366 1.00 73.40 H new ATOM 0 HB2 TYR A 99 -0.101 10.175 -4.353 1.00 71.14 H new ATOM 0 HB3 TYR A 99 -0.300 11.619 -5.326 1.00 71.14 H new ATOM 0 HD1 TYR A 99 -0.949 8.005 -6.214 1.00 12.40 H new ATOM 0 HD2 TYR A 99 -2.592 11.934 -5.601 1.00 72.21 H new ATOM 0 HE1 TYR A 99 -3.196 7.150 -6.822 1.00 13.42 H new ATOM 0 HE2 TYR A 99 -4.842 11.099 -6.237 1.00 62.53 H new ATOM 0 HH TYR A 99 -5.352 7.913 -7.557 1.00 13.10 H new ATOM 1672 N GLU A 100 0.821 12.098 -7.691 1.00 34.25 N ATOM 1673 CA GLU A 100 0.645 12.748 -8.986 1.00 71.34 C ATOM 1674 C GLU A 100 1.751 12.421 -9.997 1.00 11.34 C ATOM 1675 O GLU A 100 1.480 12.521 -11.194 1.00 62.50 O ATOM 1676 CB GLU A 100 0.362 14.253 -8.868 1.00 25.11 C ATOM 1677 CG GLU A 100 1.393 15.000 -8.021 1.00 72.12 C ATOM 1678 CD GLU A 100 1.241 16.524 -8.083 1.00 43.12 C ATOM 1679 OE1 GLU A 100 1.078 17.108 -9.177 1.00 34.22 O ATOM 1680 OE2 GLU A 100 1.223 17.163 -7.004 1.00 51.14 O ATOM 0 H GLU A 100 0.984 12.729 -6.906 1.00 34.25 H new ATOM 0 HA GLU A 100 -0.259 12.306 -9.405 1.00 71.34 H new ATOM 0 HB2 GLU A 100 0.338 14.690 -9.866 1.00 25.11 H new ATOM 0 HB3 GLU A 100 -0.627 14.396 -8.433 1.00 25.11 H new ATOM 0 HG2 GLU A 100 1.305 14.675 -6.984 1.00 72.12 H new ATOM 0 HG3 GLU A 100 2.394 14.728 -8.356 1.00 72.12 H new ATOM 1687 N SER A 101 2.929 11.961 -9.568 1.00 34.12 N ATOM 1688 CA SER A 101 4.015 11.623 -10.481 1.00 5.25 C ATOM 1689 C SER A 101 4.047 10.123 -10.838 1.00 53.34 C ATOM 1690 O SER A 101 4.517 9.781 -11.922 1.00 13.43 O ATOM 1691 CB SER A 101 5.325 12.091 -9.830 1.00 44.04 C ATOM 1692 OG SER A 101 6.455 11.992 -10.679 1.00 74.11 O ATOM 0 H SER A 101 3.153 11.814 -8.584 1.00 34.12 H new ATOM 0 HA SER A 101 3.865 12.131 -11.434 1.00 5.25 H new ATOM 0 HB2 SER A 101 5.211 13.127 -9.512 1.00 44.04 H new ATOM 0 HB3 SER A 101 5.505 11.500 -8.932 1.00 44.04 H new ATOM 0 HG SER A 101 7.251 12.307 -10.202 1.00 74.11 H new ATOM 1698 N GLU A 102 3.462 9.234 -10.028 1.00 31.52 N ATOM 1699 CA GLU A 102 3.468 7.776 -10.237 1.00 30.43 C ATOM 1700 C GLU A 102 2.077 7.164 -10.459 1.00 13.05 C ATOM 1701 O GLU A 102 1.954 5.952 -10.648 1.00 32.23 O ATOM 1702 CB GLU A 102 4.156 7.133 -9.019 1.00 50.02 C ATOM 1703 CG GLU A 102 5.612 7.598 -8.831 1.00 50.23 C ATOM 1704 CD GLU A 102 6.646 6.732 -9.553 1.00 24.43 C ATOM 1705 OE1 GLU A 102 6.411 6.212 -10.666 1.00 72.51 O ATOM 1706 OE2 GLU A 102 7.749 6.582 -8.985 1.00 64.42 O ATOM 0 H GLU A 102 2.957 9.512 -9.186 1.00 31.52 H new ATOM 0 HA GLU A 102 4.010 7.573 -11.160 1.00 30.43 H new ATOM 0 HB2 GLU A 102 3.586 7.370 -8.120 1.00 50.02 H new ATOM 0 HB3 GLU A 102 4.139 6.049 -9.130 1.00 50.02 H new ATOM 0 HG2 GLU A 102 5.702 8.624 -9.187 1.00 50.23 H new ATOM 0 HG3 GLU A 102 5.843 7.608 -7.766 1.00 50.23 H new ATOM 1713 N LYS A 103 1.026 7.984 -10.431 1.00 30.31 N ATOM 1714 CA LYS A 103 -0.378 7.617 -10.631 1.00 44.00 C ATOM 1715 C LYS A 103 -0.563 6.779 -11.891 1.00 22.23 C ATOM 1716 O LYS A 103 -0.004 7.100 -12.941 1.00 30.33 O ATOM 1717 CB LYS A 103 -1.239 8.891 -10.831 1.00 2.10 C ATOM 1718 CG LYS A 103 -0.523 9.932 -11.724 1.00 54.04 C ATOM 1719 CD LYS A 103 -1.392 10.854 -12.575 1.00 52.25 C ATOM 1720 CE LYS A 103 -1.931 12.051 -11.800 1.00 51.31 C ATOM 1721 NZ LYS A 103 -2.318 13.135 -12.724 1.00 13.22 N ATOM 0 H LYS A 103 1.138 8.983 -10.258 1.00 30.31 H new ATOM 0 HA LYS A 103 -0.682 7.054 -9.748 1.00 44.00 H new ATOM 0 HB2 LYS A 103 -2.193 8.618 -11.283 1.00 2.10 H new ATOM 0 HB3 LYS A 103 -1.462 9.336 -9.861 1.00 2.10 H new ATOM 0 HG2 LYS A 103 0.098 10.556 -11.081 1.00 54.04 H new ATOM 0 HG3 LYS A 103 0.150 9.395 -12.392 1.00 54.04 H new ATOM 0 HD2 LYS A 103 -0.809 11.211 -13.424 1.00 52.25 H new ATOM 0 HD3 LYS A 103 -2.228 10.284 -12.979 1.00 52.25 H new ATOM 0 HE2 LYS A 103 -2.792 11.748 -11.205 1.00 51.31 H new ATOM 0 HE3 LYS A 103 -1.174 12.412 -11.104 1.00 51.31 H new ATOM 0 HZ1 LYS A 103 -2.683 13.942 -12.179 1.00 13.22 H new ATOM 0 HZ2 LYS A 103 -1.488 13.435 -13.274 1.00 13.22 H new ATOM 0 HZ3 LYS A 103 -3.056 12.792 -13.371 1.00 13.22 H new ATOM 1735 N ASP A 104 -1.355 5.719 -11.800 1.00 2.40 N ATOM 1736 CA ASP A 104 -1.624 4.909 -12.979 1.00 63.34 C ATOM 1737 C ASP A 104 -2.827 5.522 -13.689 1.00 62.52 C ATOM 1738 O ASP A 104 -3.481 6.414 -13.133 1.00 3.32 O ATOM 1739 CB ASP A 104 -2.025 3.485 -12.572 1.00 70.43 C ATOM 1740 CG ASP A 104 -1.619 2.452 -13.621 1.00 2.11 C ATOM 1741 OD1 ASP A 104 -0.645 2.680 -14.381 1.00 12.14 O ATOM 1742 OD2 ASP A 104 -2.328 1.430 -13.730 1.00 50.22 O ATOM 0 H ASP A 104 -1.812 5.406 -10.944 1.00 2.40 H new ATOM 0 HA ASP A 104 -0.733 4.878 -13.607 1.00 63.34 H new ATOM 0 HB2 ASP A 104 -1.558 3.236 -11.619 1.00 70.43 H new ATOM 0 HB3 ASP A 104 -3.103 3.442 -12.420 1.00 70.43 H new ATOM 1747 N GLU A 105 -3.190 5.039 -14.881 1.00 64.53 N ATOM 1748 CA GLU A 105 -4.387 5.562 -15.534 1.00 3.24 C ATOM 1749 C GLU A 105 -5.575 5.186 -14.637 1.00 62.21 C ATOM 1750 O GLU A 105 -6.540 5.945 -14.515 1.00 5.12 O ATOM 1751 CB GLU A 105 -4.607 4.960 -16.928 1.00 53.04 C ATOM 1752 CG GLU A 105 -5.881 5.564 -17.539 1.00 63.35 C ATOM 1753 CD GLU A 105 -6.125 5.123 -18.972 1.00 42.22 C ATOM 1754 OE1 GLU A 105 -5.495 5.710 -19.883 1.00 51.14 O ATOM 1755 OE2 GLU A 105 -7.012 4.268 -19.191 1.00 12.32 O ATOM 0 H GLU A 105 -2.691 4.313 -15.396 1.00 64.53 H new ATOM 0 HA GLU A 105 -4.282 6.639 -15.667 1.00 3.24 H new ATOM 0 HB2 GLU A 105 -3.749 5.167 -17.567 1.00 53.04 H new ATOM 0 HB3 GLU A 105 -4.700 3.876 -16.860 1.00 53.04 H new ATOM 0 HG2 GLU A 105 -6.738 5.282 -16.928 1.00 63.35 H new ATOM 0 HG3 GLU A 105 -5.811 6.651 -17.507 1.00 63.35 H new ATOM 1762 N ASP A 106 -5.466 4.036 -13.959 1.00 12.01 N ATOM 1763 CA ASP A 106 -6.484 3.495 -13.078 1.00 42.24 C ATOM 1764 C ASP A 106 -6.613 4.334 -11.798 1.00 13.34 C ATOM 1765 O ASP A 106 -7.557 4.135 -11.031 1.00 41.25 O ATOM 1766 CB ASP A 106 -6.225 2.024 -12.712 1.00 22.42 C ATOM 1767 CG ASP A 106 -5.773 1.028 -13.776 1.00 61.45 C ATOM 1768 OD1 ASP A 106 -5.446 1.383 -14.925 1.00 24.30 O ATOM 1769 OD2 ASP A 106 -5.714 -0.169 -13.414 1.00 10.22 O ATOM 0 H ASP A 106 -4.637 3.445 -14.017 1.00 12.01 H new ATOM 0 HA ASP A 106 -7.422 3.540 -13.632 1.00 42.24 H new ATOM 0 HB2 ASP A 106 -5.472 2.017 -11.924 1.00 22.42 H new ATOM 0 HB3 ASP A 106 -7.145 1.634 -12.277 1.00 22.42 H new ATOM 1774 N GLY A 107 -5.660 5.237 -11.532 1.00 23.43 N ATOM 1775 CA GLY A 107 -5.644 6.137 -10.385 1.00 73.22 C ATOM 1776 C GLY A 107 -5.054 5.553 -9.105 1.00 44.14 C ATOM 1777 O GLY A 107 -5.103 6.220 -8.071 1.00 50.44 O ATOM 0 H GLY A 107 -4.849 5.361 -12.138 1.00 23.43 H new ATOM 0 HA2 GLY A 107 -5.078 7.029 -10.652 1.00 73.22 H new ATOM 0 HA3 GLY A 107 -6.666 6.457 -10.181 1.00 73.22 H new ATOM 1781 N PHE A 108 -4.555 4.315 -9.119 1.00 31.12 N ATOM 1782 CA PHE A 108 -3.940 3.697 -7.943 1.00 45.45 C ATOM 1783 C PHE A 108 -2.440 4.007 -7.959 1.00 11.03 C ATOM 1784 O PHE A 108 -1.880 4.298 -9.022 1.00 25.33 O ATOM 1785 CB PHE A 108 -4.150 2.167 -7.947 1.00 50.22 C ATOM 1786 CG PHE A 108 -5.039 1.670 -6.822 1.00 10.32 C ATOM 1787 CD1 PHE A 108 -4.622 1.778 -5.481 1.00 53.03 C ATOM 1788 CD2 PHE A 108 -6.298 1.116 -7.108 1.00 3.44 C ATOM 1789 CE1 PHE A 108 -5.466 1.359 -4.437 1.00 23.34 C ATOM 1790 CE2 PHE A 108 -7.154 0.726 -6.065 1.00 52.44 C ATOM 1791 CZ PHE A 108 -6.742 0.847 -4.731 1.00 22.23 C ATOM 0 H PHE A 108 -4.566 3.715 -9.943 1.00 31.12 H new ATOM 0 HA PHE A 108 -4.406 4.100 -7.044 1.00 45.45 H new ATOM 0 HB2 PHE A 108 -4.587 1.872 -8.901 1.00 50.22 H new ATOM 0 HB3 PHE A 108 -3.180 1.676 -7.875 1.00 50.22 H new ATOM 0 HD1 PHE A 108 -3.648 2.185 -5.253 1.00 53.03 H new ATOM 0 HD2 PHE A 108 -6.609 0.989 -8.134 1.00 3.44 H new ATOM 0 HE1 PHE A 108 -5.135 1.430 -3.412 1.00 23.34 H new ATOM 0 HE2 PHE A 108 -8.133 0.331 -6.292 1.00 52.44 H new ATOM 0 HZ PHE A 108 -7.403 0.548 -3.931 1.00 22.23 H new ATOM 1801 N LEU A 109 -1.800 3.933 -6.787 1.00 23.41 N ATOM 1802 CA LEU A 109 -0.363 4.149 -6.625 1.00 42.02 C ATOM 1803 C LEU A 109 0.277 2.775 -6.386 1.00 5.35 C ATOM 1804 O LEU A 109 0.055 2.215 -5.313 1.00 74.53 O ATOM 1805 CB LEU A 109 -0.092 5.103 -5.452 1.00 30.45 C ATOM 1806 CG LEU A 109 1.132 5.988 -5.671 1.00 63.11 C ATOM 1807 CD1 LEU A 109 1.369 6.875 -4.442 1.00 1.41 C ATOM 1808 CD2 LEU A 109 2.417 5.222 -6.000 1.00 21.45 C ATOM 0 H LEU A 109 -2.276 3.718 -5.911 1.00 23.41 H new ATOM 0 HA LEU A 109 0.065 4.613 -7.514 1.00 42.02 H new ATOM 0 HB2 LEU A 109 -0.966 5.735 -5.296 1.00 30.45 H new ATOM 0 HB3 LEU A 109 0.047 4.520 -4.542 1.00 30.45 H new ATOM 0 HG LEU A 109 0.902 6.592 -6.549 1.00 63.11 H new ATOM 0 HD11 LEU A 109 2.245 7.502 -4.609 1.00 1.41 H new ATOM 0 HD12 LEU A 109 0.497 7.507 -4.276 1.00 1.41 H new ATOM 0 HD13 LEU A 109 1.534 6.247 -3.567 1.00 1.41 H new ATOM 0 HD21 LEU A 109 3.236 5.928 -6.140 1.00 21.45 H new ATOM 0 HD22 LEU A 109 2.657 4.545 -5.180 1.00 21.45 H new ATOM 0 HD23 LEU A 109 2.274 4.647 -6.915 1.00 21.45 H new ATOM 1820 N TYR A 110 1.011 2.191 -7.330 1.00 74.12 N ATOM 1821 CA TYR A 110 1.630 0.881 -7.140 1.00 71.21 C ATOM 1822 C TYR A 110 3.007 1.013 -6.490 1.00 2.04 C ATOM 1823 O TYR A 110 3.901 1.671 -7.024 1.00 21.34 O ATOM 1824 CB TYR A 110 1.722 0.141 -8.477 1.00 73.43 C ATOM 1825 CG TYR A 110 0.373 -0.276 -9.032 1.00 63.22 C ATOM 1826 CD1 TYR A 110 -0.267 -1.425 -8.529 1.00 45.15 C ATOM 1827 CD2 TYR A 110 -0.242 0.475 -10.051 1.00 64.52 C ATOM 1828 CE1 TYR A 110 -1.507 -1.832 -9.050 1.00 3.20 C ATOM 1829 CE2 TYR A 110 -1.483 0.073 -10.573 1.00 11.32 C ATOM 1830 CZ TYR A 110 -2.117 -1.089 -10.080 1.00 45.45 C ATOM 1831 OH TYR A 110 -3.298 -1.509 -10.609 1.00 63.55 O ATOM 0 H TYR A 110 1.193 2.609 -8.243 1.00 74.12 H new ATOM 0 HA TYR A 110 1.003 0.298 -6.465 1.00 71.21 H new ATOM 0 HB2 TYR A 110 2.223 0.781 -9.204 1.00 73.43 H new ATOM 0 HB3 TYR A 110 2.344 -0.745 -8.351 1.00 73.43 H new ATOM 0 HD1 TYR A 110 0.197 -1.996 -7.739 1.00 45.15 H new ATOM 0 HD2 TYR A 110 0.241 1.362 -10.433 1.00 64.52 H new ATOM 0 HE1 TYR A 110 -1.993 -2.715 -8.661 1.00 3.20 H new ATOM 0 HE2 TYR A 110 -1.953 0.654 -11.353 1.00 11.32 H new ATOM 0 HH TYR A 110 -3.584 -0.884 -11.308 1.00 63.55 H new ATOM 1841 N MET A 111 3.212 0.352 -5.348 1.00 50.42 N ATOM 1842 CA MET A 111 4.466 0.359 -4.607 1.00 34.24 C ATOM 1843 C MET A 111 4.795 -1.088 -4.245 1.00 74.34 C ATOM 1844 O MET A 111 3.972 -1.823 -3.692 1.00 61.30 O ATOM 1845 CB MET A 111 4.315 1.266 -3.373 1.00 24.53 C ATOM 1846 CG MET A 111 4.544 2.736 -3.745 1.00 21.11 C ATOM 1847 SD MET A 111 3.963 3.953 -2.528 1.00 42.44 S ATOM 1848 CE MET A 111 5.219 3.774 -1.238 1.00 44.03 C ATOM 0 H MET A 111 2.489 -0.216 -4.906 1.00 50.42 H new ATOM 0 HA MET A 111 5.291 0.761 -5.195 1.00 34.24 H new ATOM 0 HB2 MET A 111 3.319 1.145 -2.947 1.00 24.53 H new ATOM 0 HB3 MET A 111 5.028 0.965 -2.606 1.00 24.53 H new ATOM 0 HG2 MET A 111 5.611 2.890 -3.905 1.00 21.11 H new ATOM 0 HG3 MET A 111 4.048 2.933 -4.695 1.00 21.11 H new ATOM 0 HE1 MET A 111 5.186 4.639 -0.576 1.00 44.03 H new ATOM 0 HE2 MET A 111 5.023 2.869 -0.663 1.00 44.03 H new ATOM 0 HE3 MET A 111 6.205 3.706 -1.697 1.00 44.03 H new ATOM 1858 N VAL A 112 6.037 -1.501 -4.475 1.00 70.22 N ATOM 1859 CA VAL A 112 6.506 -2.859 -4.207 1.00 12.31 C ATOM 1860 C VAL A 112 7.729 -2.792 -3.294 1.00 2.44 C ATOM 1861 O VAL A 112 8.478 -1.821 -3.359 1.00 73.24 O ATOM 1862 CB VAL A 112 6.729 -3.612 -5.546 1.00 52.44 C ATOM 1863 CG1 VAL A 112 5.426 -4.282 -5.995 1.00 34.13 C ATOM 1864 CG2 VAL A 112 7.246 -2.734 -6.700 1.00 43.34 C ATOM 0 H VAL A 112 6.759 -0.892 -4.859 1.00 70.22 H new ATOM 0 HA VAL A 112 5.759 -3.444 -3.670 1.00 12.31 H new ATOM 0 HB VAL A 112 7.508 -4.344 -5.333 1.00 52.44 H new ATOM 0 HG11 VAL A 112 5.592 -4.808 -6.935 1.00 34.13 H new ATOM 0 HG12 VAL A 112 5.101 -4.992 -5.235 1.00 34.13 H new ATOM 0 HG13 VAL A 112 4.656 -3.523 -6.135 1.00 34.13 H new ATOM 0 HG21 VAL A 112 7.372 -3.345 -7.594 1.00 43.34 H new ATOM 0 HG22 VAL A 112 6.528 -1.939 -6.902 1.00 43.34 H new ATOM 0 HG23 VAL A 112 8.205 -2.296 -6.422 1.00 43.34 H new ATOM 1874 N TYR A 113 7.932 -3.764 -2.400 1.00 70.40 N ATOM 1875 CA TYR A 113 9.084 -3.758 -1.492 1.00 64.22 C ATOM 1876 C TYR A 113 9.780 -5.115 -1.441 1.00 44.11 C ATOM 1877 O TYR A 113 9.164 -6.144 -1.733 1.00 25.53 O ATOM 1878 CB TYR A 113 8.658 -3.306 -0.091 1.00 12.11 C ATOM 1879 CG TYR A 113 7.923 -4.361 0.714 1.00 4.03 C ATOM 1880 CD1 TYR A 113 6.569 -4.626 0.446 1.00 24.42 C ATOM 1881 CD2 TYR A 113 8.602 -5.103 1.703 1.00 43.11 C ATOM 1882 CE1 TYR A 113 5.900 -5.636 1.151 1.00 73.54 C ATOM 1883 CE2 TYR A 113 7.934 -6.111 2.420 1.00 54.12 C ATOM 1884 CZ TYR A 113 6.576 -6.381 2.141 1.00 30.15 C ATOM 1885 OH TYR A 113 5.909 -7.362 2.802 1.00 3.44 O ATOM 0 H TYR A 113 7.313 -4.566 -2.285 1.00 70.40 H new ATOM 0 HA TYR A 113 9.808 -3.044 -1.884 1.00 64.22 H new ATOM 0 HB2 TYR A 113 9.545 -2.997 0.463 1.00 12.11 H new ATOM 0 HB3 TYR A 113 8.019 -2.428 -0.185 1.00 12.11 H new ATOM 0 HD1 TYR A 113 6.044 -4.052 -0.303 1.00 24.42 H new ATOM 0 HD2 TYR A 113 9.641 -4.895 1.911 1.00 43.11 H new ATOM 0 HE1 TYR A 113 4.863 -5.845 0.936 1.00 73.54 H new ATOM 0 HE2 TYR A 113 8.456 -6.675 3.179 1.00 54.12 H new ATOM 0 HH TYR A 113 6.529 -7.838 3.394 1.00 3.44 H new ATOM 1895 N ALA A 114 11.075 -5.088 -1.129 1.00 72.43 N ATOM 1896 CA ALA A 114 11.972 -6.232 -0.985 1.00 42.24 C ATOM 1897 C ALA A 114 13.243 -5.796 -0.239 1.00 61.44 C ATOM 1898 O ALA A 114 13.423 -4.623 0.092 1.00 64.14 O ATOM 1899 CB ALA A 114 12.365 -6.755 -2.373 1.00 14.22 C ATOM 0 H ALA A 114 11.557 -4.206 -0.959 1.00 72.43 H new ATOM 0 HA ALA A 114 11.465 -7.017 -0.425 1.00 42.24 H new ATOM 0 HB1 ALA A 114 13.034 -7.608 -2.264 1.00 14.22 H new ATOM 0 HB2 ALA A 114 11.469 -7.063 -2.913 1.00 14.22 H new ATOM 0 HB3 ALA A 114 12.871 -5.966 -2.929 1.00 14.22 H new ATOM 1905 N SER A 115 14.153 -6.734 -0.007 1.00 51.11 N ATOM 1906 CA SER A 115 15.424 -6.539 0.657 1.00 70.41 C ATOM 1907 C SER A 115 16.499 -6.703 -0.423 1.00 72.22 C ATOM 1908 O SER A 115 17.173 -7.727 -0.501 1.00 31.12 O ATOM 1909 CB SER A 115 15.494 -7.552 1.817 1.00 63.23 C ATOM 1910 OG SER A 115 16.806 -7.845 2.243 1.00 25.42 O ATOM 0 H SER A 115 14.011 -7.702 -0.295 1.00 51.11 H new ATOM 0 HA SER A 115 15.568 -5.556 1.106 1.00 70.41 H new ATOM 0 HB2 SER A 115 14.927 -7.161 2.662 1.00 63.23 H new ATOM 0 HB3 SER A 115 15.008 -8.477 1.508 1.00 63.23 H new ATOM 0 HG SER A 115 17.050 -8.748 1.952 1.00 25.42 H new ATOM 1916 N GLN A 116 16.663 -5.664 -1.241 1.00 52.42 N ATOM 1917 CA GLN A 116 17.630 -5.548 -2.325 1.00 21.25 C ATOM 1918 C GLN A 116 17.533 -4.103 -2.800 1.00 12.12 C ATOM 1919 O GLN A 116 16.419 -3.603 -3.004 1.00 61.20 O ATOM 1920 CB GLN A 116 17.358 -6.547 -3.473 1.00 33.33 C ATOM 1921 CG GLN A 116 18.511 -7.560 -3.537 1.00 4.41 C ATOM 1922 CD GLN A 116 18.381 -8.583 -4.656 1.00 63.43 C ATOM 1923 OE1 GLN A 116 17.972 -9.723 -4.438 1.00 1.33 O ATOM 1924 NE2 GLN A 116 18.765 -8.238 -5.870 1.00 74.20 N ATOM 0 H GLN A 116 16.085 -4.828 -1.156 1.00 52.42 H new ATOM 0 HA GLN A 116 18.634 -5.795 -1.980 1.00 21.25 H new ATOM 0 HB2 GLN A 116 16.412 -7.063 -3.307 1.00 33.33 H new ATOM 0 HB3 GLN A 116 17.270 -6.016 -4.421 1.00 33.33 H new ATOM 0 HG2 GLN A 116 19.449 -7.019 -3.662 1.00 4.41 H new ATOM 0 HG3 GLN A 116 18.571 -8.086 -2.584 1.00 4.41 H new ATOM 0 HE21 GLN A 116 19.104 -7.293 -6.048 1.00 74.20 H new ATOM 0 HE22 GLN A 116 18.723 -8.917 -6.630 1.00 74.20 H new ATOM 1933 N GLU A 117 18.669 -3.426 -2.948 1.00 50.00 N ATOM 1934 CA GLU A 117 18.715 -2.041 -3.398 1.00 72.12 C ATOM 1935 C GLU A 117 18.493 -1.995 -4.912 1.00 2.45 C ATOM 1936 O GLU A 117 17.902 -1.042 -5.427 1.00 33.12 O ATOM 1937 CB GLU A 117 20.035 -1.385 -2.962 1.00 21.22 C ATOM 1938 CG GLU A 117 19.930 0.147 -3.052 1.00 51.43 C ATOM 1939 CD GLU A 117 20.882 0.902 -2.117 1.00 70.40 C ATOM 1940 OE1 GLU A 117 21.947 0.363 -1.735 1.00 62.30 O ATOM 1941 OE2 GLU A 117 20.560 2.055 -1.743 1.00 51.22 O ATOM 0 H GLU A 117 19.587 -3.827 -2.758 1.00 50.00 H new ATOM 0 HA GLU A 117 17.916 -1.463 -2.934 1.00 72.12 H new ATOM 0 HB2 GLU A 117 20.274 -1.680 -1.940 1.00 21.22 H new ATOM 0 HB3 GLU A 117 20.850 -1.738 -3.595 1.00 21.22 H new ATOM 0 HG2 GLU A 117 20.130 0.453 -4.079 1.00 51.43 H new ATOM 0 HG3 GLU A 117 18.906 0.443 -2.825 1.00 51.43 H new ATOM 1948 N THR A 118 18.923 -3.038 -5.616 1.00 34.34 N ATOM 1949 CA THR A 118 18.799 -3.223 -7.045 1.00 51.04 C ATOM 1950 C THR A 118 18.362 -4.672 -7.242 1.00 3.34 C ATOM 1951 O THR A 118 18.869 -5.549 -6.536 1.00 45.40 O ATOM 1952 CB THR A 118 20.147 -2.939 -7.732 1.00 22.35 C ATOM 1953 OG1 THR A 118 21.202 -3.730 -7.203 1.00 74.41 O ATOM 1954 CG2 THR A 118 20.558 -1.466 -7.627 1.00 2.34 C ATOM 0 H THR A 118 19.397 -3.823 -5.168 1.00 34.34 H new ATOM 0 HA THR A 118 18.075 -2.539 -7.488 1.00 51.04 H new ATOM 0 HB THR A 118 19.988 -3.198 -8.779 1.00 22.35 H new ATOM 0 HG1 THR A 118 22.037 -3.517 -7.670 1.00 74.41 H new ATOM 0 HG21 THR A 118 21.515 -1.319 -8.127 1.00 2.34 H new ATOM 0 HG22 THR A 118 19.801 -0.842 -8.102 1.00 2.34 H new ATOM 0 HG23 THR A 118 20.651 -1.188 -6.577 1.00 2.34 H new ATOM 1962 N PHE A 119 17.446 -4.939 -8.175 1.00 1.22 N ATOM 1963 CA PHE A 119 16.988 -6.293 -8.433 1.00 25.35 C ATOM 1964 C PHE A 119 17.938 -6.932 -9.421 1.00 51.13 C ATOM 1965 O PHE A 119 17.691 -6.841 -10.645 1.00 73.21 O ATOM 1966 CB PHE A 119 15.547 -6.307 -8.948 1.00 44.11 C ATOM 1967 CG PHE A 119 14.458 -6.120 -7.922 1.00 70.13 C ATOM 1968 CD1 PHE A 119 14.497 -6.812 -6.696 1.00 2.05 C ATOM 1969 CD2 PHE A 119 13.350 -5.315 -8.242 1.00 32.53 C ATOM 1970 CE1 PHE A 119 13.439 -6.682 -5.787 1.00 13.35 C ATOM 1971 CE2 PHE A 119 12.280 -5.210 -7.342 1.00 71.54 C ATOM 1972 CZ PHE A 119 12.323 -5.894 -6.117 1.00 65.11 C ATOM 0 H PHE A 119 17.010 -4.229 -8.763 1.00 1.22 H new ATOM 0 HA PHE A 119 16.986 -6.865 -7.505 1.00 25.35 H new ATOM 0 HB2 PHE A 119 15.446 -5.522 -9.698 1.00 44.11 H new ATOM 0 HB3 PHE A 119 15.377 -7.256 -9.456 1.00 44.11 H new ATOM 0 HD1 PHE A 119 15.341 -7.442 -6.457 1.00 2.05 H new ATOM 0 HD2 PHE A 119 13.323 -4.779 -9.179 1.00 32.53 H new ATOM 0 HE1 PHE A 119 13.481 -7.187 -4.833 1.00 13.35 H new ATOM 0 HE2 PHE A 119 11.422 -4.603 -7.591 1.00 71.54 H new ATOM 0 HZ PHE A 119 11.496 -5.815 -5.426 1.00 65.11 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -14.652 -12.670 14.209 1.00 33.21 N ATOM 1984 CA ASN B 169 -15.821 -12.655 15.107 1.00 53.25 C ATOM 1985 C ASN B 169 -15.632 -11.478 16.053 1.00 74.41 C ATOM 1986 O ASN B 169 -15.714 -10.360 15.559 1.00 43.34 O ATOM 1987 CB ASN B 169 -16.077 -14.014 15.784 1.00 41.04 C ATOM 1988 CG ASN B 169 -16.203 -15.158 14.775 1.00 52.21 C ATOM 1989 OD1 ASN B 169 -16.570 -16.350 15.210 1.00 0.20 O flip ATOM 1990 ND2 ASN B 169 -15.939 -15.003 13.584 1.00 62.21 N flip ATOM 0 HA ASN B 169 -16.746 -12.508 14.550 1.00 53.25 H new ATOM 0 HB2 ASN B 169 -15.262 -14.231 16.475 1.00 41.04 H new ATOM 0 HB3 ASN B 169 -16.990 -13.955 16.377 1.00 41.04 H new ATOM 0 HD21 ASN B 169 -15.655 -14.086 13.240 1.00 62.21 H new ATOM 0 HD22 ASN B 169 -16.004 -15.792 12.940 1.00 62.21 H new HETATM 1997 N SEP B 170 -15.350 -11.662 17.352 1.00 1.44 N HETATM 1998 CA SEP B 170 -15.124 -10.605 18.347 1.00 54.21 C HETATM 1999 CB SEP B 170 -15.232 -11.227 19.748 1.00 23.44 C HETATM 2000 OG SEP B 170 -14.428 -12.395 19.849 1.00 24.30 O HETATM 2001 C SEP B 170 -13.777 -9.871 18.132 1.00 40.21 C HETATM 2002 O SEP B 170 -12.944 -9.781 19.038 1.00 41.32 O HETATM 2003 P SEP B 170 -14.176 -13.111 21.252 1.00 13.44 P HETATM 2004 O1P SEP B 170 -13.522 -14.374 20.853 1.00 52.01 O HETATM 2005 O2P SEP B 170 -13.289 -12.168 21.974 1.00 60.31 O HETATM 2006 O3P SEP B 170 -15.522 -13.252 21.836 1.00 54.42 O HETATM 0 HB3 SEP B 170 -14.920 -10.500 20.498 1.00 23.44 H new HETATM 0 HB2 SEP B 170 -16.272 -11.477 19.960 1.00 23.44 H new HETATM 0 HA SEP B 170 -15.888 -9.836 18.234 1.00 54.21 H new HETATM 0 H SEP B 170 -15.539 -12.617 17.656 1.00 1.44 H new HETATM 2011 N SEP B 171 -13.439 -9.563 16.882 1.00 41.44 N HETATM 2012 CA SEP B 171 -12.222 -8.892 16.465 1.00 43.01 C HETATM 2013 CB SEP B 171 -11.770 -9.490 15.134 1.00 40.21 C HETATM 2014 OG SEP B 171 -11.203 -10.766 15.375 1.00 20.34 O HETATM 2015 C SEP B 171 -12.429 -7.390 16.322 1.00 1.20 C HETATM 2016 O SEP B 171 -11.557 -6.630 16.748 1.00 23.13 O HETATM 2017 P SEP B 171 -10.780 -11.726 14.169 1.00 4.01 P HETATM 2018 O1P SEP B 171 -9.686 -10.973 13.523 1.00 72.13 O HETATM 2019 O2P SEP B 171 -10.378 -12.951 14.887 1.00 32.30 O HETATM 2020 O3P SEP B 171 -12.025 -11.827 13.386 1.00 32.51 O HETATM 0 HB3 SEP B 171 -12.616 -9.576 14.452 1.00 40.21 H new HETATM 0 HB2 SEP B 171 -11.040 -8.837 14.656 1.00 40.21 H new HETATM 0 HA SEP B 171 -11.458 -9.041 17.228 1.00 43.01 H new HETATM 0 H SEP B 171 -13.839 -10.300 16.302 1.00 41.44 H new ATOM 2025 N GLY B 172 -13.454 -6.965 15.586 1.00 23.34 N ATOM 2026 CA GLY B 172 -13.760 -5.568 15.353 1.00 14.00 C ATOM 2027 C GLY B 172 -14.949 -5.449 14.408 1.00 63.42 C ATOM 2028 O GLY B 172 -15.581 -6.446 14.054 1.00 42.33 O ATOM 0 H GLY B 172 -14.105 -7.602 15.128 1.00 23.34 H new ATOM 0 HA2 GLY B 172 -13.984 -5.073 16.298 1.00 14.00 H new ATOM 0 HA3 GLY B 172 -12.893 -5.063 14.927 1.00 14.00 H new HETATM 2032 N SEP B 173 -15.258 -4.215 14.037 1.00 43.44 N HETATM 2033 CA SEP B 173 -16.317 -3.819 13.129 1.00 75.41 C HETATM 2034 CB SEP B 173 -17.507 -3.230 13.894 1.00 43.24 C HETATM 2035 OG SEP B 173 -18.079 -4.193 14.764 1.00 13.24 O HETATM 2036 C SEP B 173 -15.678 -2.793 12.198 1.00 62.34 C HETATM 2037 O SEP B 173 -15.450 -1.658 12.625 1.00 12.10 O HETATM 2038 P SEP B 173 -19.431 -3.900 15.557 1.00 21.53 P HETATM 2039 O1P SEP B 173 -19.106 -2.739 16.409 1.00 15.04 O HETATM 2040 O2P SEP B 173 -20.447 -3.656 14.517 1.00 1.24 O HETATM 2041 O3P SEP B 173 -19.641 -5.144 16.316 1.00 22.52 O HETATM 0 HB3 SEP B 173 -17.181 -2.363 14.469 1.00 43.24 H new HETATM 0 HB2 SEP B 173 -18.260 -2.879 13.188 1.00 43.24 H new HETATM 0 HA SEP B 173 -16.719 -4.666 12.573 1.00 75.41 H new HETATM 2046 N SEP B 174 -15.010 -3.300 11.166 1.00 13.40 N HETATM 2047 CA SEP B 174 -14.316 -2.522 10.152 1.00 31.23 C HETATM 2048 CB SEP B 174 -12.830 -2.387 10.515 1.00 1.13 C HETATM 2049 OG SEP B 174 -12.619 -1.470 11.579 1.00 71.24 O HETATM 2050 C SEP B 174 -14.519 -3.234 8.810 1.00 31.53 C HETATM 2051 O SEP B 174 -15.240 -4.230 8.741 1.00 40.01 O HETATM 2052 P SEP B 174 -12.384 0.085 11.286 1.00 0.23 P HETATM 2053 O1P SEP B 174 -11.081 0.063 10.599 1.00 34.44 O HETATM 2054 O2P SEP B 174 -13.533 0.509 10.469 1.00 2.24 O HETATM 2055 O3P SEP B 174 -12.344 0.642 12.658 1.00 32.44 O HETATM 0 HB3 SEP B 174 -12.436 -3.364 10.796 1.00 1.13 H new HETATM 0 HB2 SEP B 174 -12.272 -2.058 9.638 1.00 1.13 H new HETATM 0 HA SEP B 174 -14.714 -1.509 10.088 1.00 31.23 H new ATOM 2060 N GLU B 175 -14.031 -2.645 7.725 1.00 41.13 N ATOM 2061 CA GLU B 175 -14.144 -3.171 6.377 1.00 13.21 C ATOM 2062 C GLU B 175 -12.757 -3.607 5.892 1.00 2.04 C ATOM 2063 O GLU B 175 -11.897 -2.777 5.602 1.00 23.32 O ATOM 2064 CB GLU B 175 -14.867 -2.153 5.481 1.00 33.11 C ATOM 2065 CG GLU B 175 -14.426 -0.687 5.651 1.00 51.01 C ATOM 2066 CD GLU B 175 -15.261 0.189 4.730 1.00 62.31 C ATOM 2067 OE1 GLU B 175 -14.929 0.243 3.522 1.00 31.22 O ATOM 2068 OE2 GLU B 175 -16.314 0.710 5.162 1.00 64.44 O ATOM 0 H GLU B 175 -13.529 -1.758 7.765 1.00 41.13 H new ATOM 0 HA GLU B 175 -14.764 -4.067 6.342 1.00 13.21 H new ATOM 0 HB2 GLU B 175 -14.717 -2.441 4.440 1.00 33.11 H new ATOM 0 HB3 GLU B 175 -15.937 -2.217 5.679 1.00 33.11 H new ATOM 0 HG2 GLU B 175 -14.553 -0.373 6.687 1.00 51.01 H new ATOM 0 HG3 GLU B 175 -13.367 -0.582 5.414 1.00 51.01 H new ATOM 2075 N ASP B 176 -12.544 -4.923 5.832 1.00 31.13 N ATOM 2076 CA ASP B 176 -11.313 -5.596 5.418 1.00 34.23 C ATOM 2077 C ASP B 176 -11.081 -5.466 3.908 1.00 14.21 C ATOM 2078 O ASP B 176 -11.535 -6.302 3.115 1.00 12.44 O ATOM 2079 CB ASP B 176 -11.376 -7.062 5.871 1.00 1.12 C ATOM 2080 CG ASP B 176 -10.041 -7.808 5.813 1.00 13.01 C ATOM 2081 OD1 ASP B 176 -9.179 -7.571 4.937 1.00 73.41 O ATOM 2082 OD2 ASP B 176 -9.852 -8.690 6.686 1.00 33.53 O ATOM 0 H ASP B 176 -13.273 -5.589 6.088 1.00 31.13 H new ATOM 0 HA ASP B 176 -10.458 -5.117 5.894 1.00 34.23 H new ATOM 0 HB2 ASP B 176 -11.751 -7.096 6.894 1.00 1.12 H new ATOM 0 HB3 ASP B 176 -12.099 -7.590 5.248 1.00 1.12 H new HETATM 2087 N SEP B 177 -10.499 -4.345 3.487 1.00 1.04 N HETATM 2088 CA SEP B 177 -10.165 -4.024 2.103 1.00 21.20 C HETATM 2089 CB SEP B 177 -11.333 -3.297 1.422 1.00 63.21 C HETATM 2090 OG SEP B 177 -11.815 -4.017 0.293 1.00 2.42 O HETATM 2091 C SEP B 177 -8.856 -3.232 2.068 1.00 3.20 C HETATM 2092 O SEP B 177 -7.932 -3.620 1.339 1.00 41.03 O HETATM 2093 P SEP B 177 -12.958 -3.370 -0.613 1.00 51.45 P HETATM 2094 O1P SEP B 177 -14.077 -3.121 0.307 1.00 1.03 O HETATM 2095 O2P SEP B 177 -12.307 -2.160 -1.142 1.00 13.12 O HETATM 2096 O3P SEP B 177 -13.207 -4.401 -1.642 1.00 73.43 O HETATM 0 HB3 SEP B 177 -12.143 -3.159 2.138 1.00 63.21 H new HETATM 0 HB2 SEP B 177 -11.011 -2.304 1.110 1.00 63.21 H new HETATM 0 HA SEP B 177 -10.006 -4.938 1.532 1.00 21.20 H new ATOM 2101 N PHE B 178 -8.776 -2.123 2.812 1.00 12.20 N ATOM 2102 CA PHE B 178 -7.607 -1.262 2.909 1.00 13.20 C ATOM 2103 C PHE B 178 -7.201 -1.079 4.370 1.00 74.25 C ATOM 2104 O PHE B 178 -8.002 -1.261 5.291 1.00 11.30 O ATOM 2105 CB PHE B 178 -7.852 0.151 2.337 1.00 32.51 C ATOM 2106 CG PHE B 178 -8.277 0.360 0.893 1.00 65.53 C ATOM 2107 CD1 PHE B 178 -9.637 0.283 0.537 1.00 5.03 C ATOM 2108 CD2 PHE B 178 -7.353 0.877 -0.040 1.00 5.14 C ATOM 2109 CE1 PHE B 178 -10.059 0.705 -0.737 1.00 23.53 C ATOM 2110 CE2 PHE B 178 -7.777 1.325 -1.303 1.00 43.22 C ATOM 2111 CZ PHE B 178 -9.134 1.227 -1.658 1.00 24.54 C ATOM 0 H PHE B 178 -9.556 -1.794 3.381 1.00 12.20 H new ATOM 0 HA PHE B 178 -6.829 -1.757 2.328 1.00 13.20 H new ATOM 0 HB2 PHE B 178 -8.613 0.618 2.962 1.00 32.51 H new ATOM 0 HB3 PHE B 178 -6.931 0.715 2.481 1.00 32.51 H new ATOM 0 HD1 PHE B 178 -10.358 -0.101 1.244 1.00 5.03 H new ATOM 0 HD2 PHE B 178 -6.306 0.929 0.220 1.00 5.14 H new ATOM 0 HE1 PHE B 178 -11.101 0.627 -1.009 1.00 23.53 H new ATOM 0 HE2 PHE B 178 -7.063 1.743 -1.998 1.00 43.22 H new ATOM 0 HZ PHE B 178 -9.464 1.551 -2.634 1.00 24.54 H new ATOM 2121 N VAL B 179 -5.971 -0.606 4.563 1.00 24.54 N ATOM 2122 CA VAL B 179 -5.374 -0.360 5.864 1.00 52.43 C ATOM 2123 C VAL B 179 -4.882 1.088 5.912 1.00 44.05 C ATOM 2124 O VAL B 179 -3.939 1.465 5.209 1.00 13.43 O ATOM 2125 CB VAL B 179 -4.266 -1.401 6.100 1.00 3.44 C ATOM 2126 CG1 VAL B 179 -3.685 -1.292 7.509 1.00 73.45 C ATOM 2127 CG2 VAL B 179 -4.764 -2.839 5.934 1.00 42.15 C ATOM 0 H VAL B 179 -5.346 -0.378 3.790 1.00 24.54 H new ATOM 0 HA VAL B 179 -6.093 -0.474 6.675 1.00 52.43 H new ATOM 0 HB VAL B 179 -3.508 -1.183 5.348 1.00 3.44 H new ATOM 0 HG11 VAL B 179 -2.905 -2.042 7.640 1.00 73.45 H new ATOM 0 HG12 VAL B 179 -3.260 -0.298 7.651 1.00 73.45 H new ATOM 0 HG13 VAL B 179 -4.475 -1.457 8.242 1.00 73.45 H new ATOM 0 HG21 VAL B 179 -3.941 -3.532 6.112 1.00 42.15 H new ATOM 0 HG22 VAL B 179 -5.563 -3.032 6.650 1.00 42.15 H new ATOM 0 HG23 VAL B 179 -5.143 -2.978 4.922 1.00 42.15 H new ATOM 2137 N GLU B 180 -5.557 1.945 6.675 1.00 21.11 N ATOM 2138 CA GLU B 180 -5.174 3.346 6.820 1.00 52.11 C ATOM 2139 C GLU B 180 -3.873 3.441 7.632 1.00 35.31 C ATOM 2140 O GLU B 180 -3.524 2.534 8.396 1.00 44.43 O ATOM 2141 CB GLU B 180 -6.300 4.280 7.329 1.00 64.22 C ATOM 2142 CG GLU B 180 -7.653 3.664 7.716 1.00 21.33 C ATOM 2143 CD GLU B 180 -7.557 2.892 9.030 1.00 72.32 C ATOM 2144 OE1 GLU B 180 -7.761 3.503 10.107 1.00 51.14 O ATOM 2145 OE2 GLU B 180 -7.128 1.716 9.018 1.00 1.04 O ATOM 0 H GLU B 180 -6.386 1.686 7.210 1.00 21.11 H new ATOM 0 HA GLU B 180 -4.986 3.736 5.820 1.00 52.11 H new ATOM 0 HB2 GLU B 180 -5.919 4.813 8.200 1.00 64.22 H new ATOM 0 HB3 GLU B 180 -6.486 5.025 6.556 1.00 64.22 H new ATOM 0 HG2 GLU B 180 -8.400 4.452 7.809 1.00 21.33 H new ATOM 0 HG3 GLU B 180 -7.991 2.996 6.923 1.00 21.33 H new ATOM 2152 N ILE B 181 -3.123 4.527 7.464 1.00 64.22 N ATOM 2153 CA ILE B 181 -1.852 4.763 8.147 1.00 72.32 C ATOM 2154 C ILE B 181 -2.113 5.197 9.589 1.00 11.24 C ATOM 2155 O ILE B 181 -2.770 6.200 9.852 1.00 33.50 O ATOM 2156 CB ILE B 181 -1.047 5.806 7.311 1.00 51.21 C ATOM 2157 CG1 ILE B 181 0.122 5.090 6.605 1.00 24.34 C ATOM 2158 CG2 ILE B 181 -0.637 7.117 8.025 1.00 21.10 C ATOM 2159 CD1 ILE B 181 0.961 6.070 5.780 1.00 12.33 C ATOM 0 H ILE B 181 -3.387 5.285 6.835 1.00 64.22 H new ATOM 0 HA ILE B 181 -1.251 3.856 8.215 1.00 72.32 H new ATOM 0 HB ILE B 181 -1.744 6.199 6.570 1.00 51.21 H new ATOM 0 HG12 ILE B 181 0.754 4.603 7.348 1.00 24.34 H new ATOM 0 HG13 ILE B 181 -0.268 4.306 5.956 1.00 24.34 H new ATOM 0 HG21 ILE B 181 -0.084 7.751 7.332 1.00 21.10 H new ATOM 0 HG22 ILE B 181 -1.530 7.642 8.364 1.00 21.10 H new ATOM 0 HG23 ILE B 181 -0.007 6.882 8.883 1.00 21.10 H new ATOM 0 HD11 ILE B 181 1.776 5.533 5.296 1.00 12.33 H new ATOM 0 HD12 ILE B 181 0.333 6.537 5.021 1.00 12.33 H new ATOM 0 HD13 ILE B 181 1.371 6.839 6.435 1.00 12.33 H new ATOM 2171 N ARG B 182 -1.639 4.383 10.531 1.00 2.21 N ATOM 2172 CA ARG B 182 -1.774 4.640 11.958 1.00 41.05 C ATOM 2173 C ARG B 182 -0.763 5.709 12.320 1.00 11.03 C ATOM 2174 O ARG B 182 0.412 5.587 11.966 1.00 31.35 O ATOM 2175 CB ARG B 182 -1.559 3.345 12.739 1.00 64.23 C ATOM 2176 CG ARG B 182 -2.838 2.513 12.611 1.00 32.34 C ATOM 2177 CD ARG B 182 -2.638 1.093 13.134 1.00 73.24 C ATOM 2178 NE ARG B 182 -3.890 0.309 13.204 1.00 62.24 N ATOM 2179 CZ ARG B 182 -5.018 0.580 13.881 1.00 71.24 C ATOM 2180 NH1 ARG B 182 -5.152 1.657 14.647 1.00 55.45 N ATOM 2181 NH2 ARG B 182 -6.057 -0.237 13.797 1.00 20.11 N ATOM 0 H ARG B 182 -1.145 3.516 10.319 1.00 2.21 H new ATOM 0 HA ARG B 182 -2.773 4.994 12.213 1.00 41.05 H new ATOM 0 HB2 ARG B 182 -0.704 2.797 12.344 1.00 64.23 H new ATOM 0 HB3 ARG B 182 -1.344 3.560 13.786 1.00 64.23 H new ATOM 0 HG2 ARG B 182 -3.644 2.995 13.165 1.00 32.34 H new ATOM 0 HG3 ARG B 182 -3.146 2.477 11.566 1.00 32.34 H new ATOM 0 HD2 ARG B 182 -1.929 0.573 12.490 1.00 73.24 H new ATOM 0 HD3 ARG B 182 -2.192 1.140 14.127 1.00 73.24 H new ATOM 0 HE ARG B 182 -3.898 -0.556 12.664 1.00 62.24 H new ATOM 0 HH11 ARG B 182 -4.380 2.317 14.738 1.00 55.45 H new ATOM 0 HH12 ARG B 182 -6.027 1.824 15.144 1.00 55.45 H new ATOM 0 HH21 ARG B 182 -6.002 -1.074 13.217 1.00 20.11 H new ATOM 0 HH22 ARG B 182 -6.912 -0.029 14.312 1.00 20.11 H new ATOM 2195 N MET B 183 -1.213 6.777 12.962 1.00 23.53 N ATOM 2196 CA MET B 183 -0.359 7.888 13.346 1.00 73.31 C ATOM 2197 C MET B 183 0.180 7.670 14.757 1.00 62.12 C ATOM 2198 O MET B 183 -0.223 6.743 15.469 1.00 54.13 O ATOM 2199 CB MET B 183 -1.112 9.209 13.141 1.00 22.30 C ATOM 2200 CG MET B 183 -1.572 9.330 11.676 1.00 20.22 C ATOM 2201 SD MET B 183 -2.499 10.820 11.247 1.00 15.30 S ATOM 2202 CE MET B 183 -4.033 10.524 12.171 1.00 23.24 C ATOM 0 H MET B 183 -2.189 6.897 13.233 1.00 23.53 H new ATOM 0 HA MET B 183 0.522 7.944 12.706 1.00 73.31 H new ATOM 0 HB2 MET B 183 -1.974 9.253 13.807 1.00 22.30 H new ATOM 0 HB3 MET B 183 -0.467 10.049 13.399 1.00 22.30 H new ATOM 0 HG2 MET B 183 -0.691 9.279 11.036 1.00 20.22 H new ATOM 0 HG3 MET B 183 -2.189 8.463 11.439 1.00 20.22 H new ATOM 0 HE1 MET B 183 -4.765 11.291 11.917 1.00 23.24 H new ATOM 0 HE2 MET B 183 -4.430 9.543 11.912 1.00 23.24 H new ATOM 0 HE3 MET B 183 -3.826 10.560 13.241 1.00 23.24 H new ATOM 2212 N ALA B 184 1.134 8.502 15.157 1.00 21.41 N ATOM 2213 CA ALA B 184 1.797 8.450 16.442 1.00 44.20 C ATOM 2214 C ALA B 184 1.641 9.775 17.167 1.00 60.21 C ATOM 2215 O ALA B 184 2.276 10.761 16.786 1.00 1.34 O ATOM 2216 CB ALA B 184 3.277 8.114 16.231 1.00 1.41 C ATOM 0 H ALA B 184 1.476 9.260 14.566 1.00 21.41 H new ATOM 0 HA ALA B 184 1.342 7.675 17.059 1.00 44.20 H new ATOM 0 HB1 ALA B 184 3.782 8.073 17.196 1.00 1.41 H new ATOM 0 HB2 ALA B 184 3.364 7.147 15.735 1.00 1.41 H new ATOM 0 HB3 ALA B 184 3.740 8.882 15.611 1.00 1.41 H new ATOM 2222 N GLU B 185 0.695 9.823 18.101 1.00 12.14 N ATOM 2223 CA GLU B 185 0.480 11.002 18.925 1.00 35.53 C ATOM 2224 C GLU B 185 1.498 10.922 20.065 1.00 42.11 C ATOM 2225 O GLU B 185 1.541 11.882 20.854 1.00 64.53 O ATOM 2226 CB GLU B 185 -0.983 11.161 19.405 1.00 64.41 C ATOM 2227 CG GLU B 185 -1.817 9.918 19.758 1.00 23.42 C ATOM 2228 CD GLU B 185 -1.255 9.038 20.879 1.00 4.43 C ATOM 2229 OE1 GLU B 185 -1.329 9.401 22.076 1.00 60.22 O ATOM 2230 OE2 GLU B 185 -0.819 7.907 20.543 1.00 44.11 O ATOM 0 H GLU B 185 0.062 9.050 18.305 1.00 12.14 H new ATOM 0 HA GLU B 185 0.638 11.909 18.342 1.00 35.53 H new ATOM 0 HB2 GLU B 185 -0.967 11.801 20.287 1.00 64.41 H new ATOM 0 HB3 GLU B 185 -1.522 11.703 18.628 1.00 64.41 H new ATOM 0 HG2 GLU B 185 -2.817 10.243 20.043 1.00 23.42 H new ATOM 0 HG3 GLU B 185 -1.924 9.308 18.861 1.00 23.42 H new TER 2237 GLU B 185