USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, 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 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 74 ASN :FLIP amide:sc= -2.3! F(o=-3.3,f=-2.2!) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.0987 K(o=-2.2,f=-3.9) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= 0.843 F(o=-0.49,f=0.84) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 160:sc=-0.00563 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 9 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0458 K(o=-0.046,f=-5.3!) USER MOD Single : A 26 GLN : amide:sc= -0.113 K(o=-0.11,f=-3.6!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.31 F(o=-1,f=-0.31) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.0203 (180deg=-0.877) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= -1.93! (180deg=-1.95!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 2.45 (180deg=2.24) USER MOD Single : A 57 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-1.1) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.415 F(o=-2.4,f=-0.41) USER MOD Single : A 60 MET CE :methyl 147:sc= -0.191 (180deg=-0.423) 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 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.82) USER MOD Single : A 84 ASN : amide:sc= 0.609 K(o=0.61,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0059) USER MOD Single : A 87 SER OG : rot 59:sc= 0.0409 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 89:sc= 0.066 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 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 100:sc= 0 USER MOD Single : A 111 MET CE :methyl 157:sc= -1.63 (180deg=-2.98!) USER MOD Single : A 113 TYR OH : rot 169:sc= 1.16 USER MOD Single : A 115 SER OG : rot 76:sc= 1.21 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN :FLIP amide:sc= 0.412 F(o=-0.18,f=0.41) USER MOD Single : B 183 MET CE :methyl -165:sc= -0.118 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.401 -27.693 -3.555 1.00 41.31 N ATOM 2 CA GLY A 1 -7.170 -27.017 -3.967 1.00 24.22 C ATOM 3 C GLY A 1 -7.234 -25.546 -3.602 1.00 33.22 C ATOM 4 O GLY A 1 -8.202 -24.848 -3.939 1.00 60.31 O ATOM 0 H1 GLY A 1 -8.346 -28.700 -3.810 1.00 41.31 H new ATOM 0 H2 GLY A 1 -8.519 -27.602 -2.526 1.00 41.31 H new ATOM 0 H3 GLY A 1 -9.214 -27.258 -4.036 1.00 41.31 H new ATOM 0 HA2 GLY A 1 -6.311 -27.482 -3.483 1.00 24.22 H new ATOM 0 HA3 GLY A 1 -7.028 -27.127 -5.042 1.00 24.22 H new ATOM 8 N ALA A 2 -6.207 -25.077 -2.896 1.00 14.50 N ATOM 9 CA ALA A 2 -6.060 -23.700 -2.451 1.00 54.21 C ATOM 10 C ALA A 2 -5.920 -22.744 -3.634 1.00 44.45 C ATOM 11 O ALA A 2 -5.620 -23.170 -4.756 1.00 43.41 O ATOM 12 CB ALA A 2 -4.801 -23.611 -1.593 1.00 13.50 C ATOM 0 H ALA A 2 -5.428 -25.670 -2.610 1.00 14.50 H new ATOM 0 HA ALA A 2 -6.948 -23.414 -1.887 1.00 54.21 H new ATOM 0 HB1 ALA A 2 -4.669 -22.586 -1.247 1.00 13.50 H new ATOM 0 HB2 ALA A 2 -4.898 -24.275 -0.734 1.00 13.50 H new ATOM 0 HB3 ALA A 2 -3.935 -23.909 -2.185 1.00 13.50 H new ATOM 18 N MET A 3 -6.135 -21.455 -3.382 1.00 53.42 N ATOM 19 CA MET A 3 -6.026 -20.402 -4.374 1.00 13.52 C ATOM 20 C MET A 3 -5.879 -19.084 -3.616 1.00 75.45 C ATOM 21 O MET A 3 -6.836 -18.605 -2.994 1.00 35.12 O ATOM 22 CB MET A 3 -7.242 -20.393 -5.317 1.00 62.44 C ATOM 23 CG MET A 3 -6.847 -19.821 -6.681 1.00 2.34 C ATOM 24 SD MET A 3 -5.779 -20.911 -7.663 1.00 13.14 S ATOM 25 CE MET A 3 -4.451 -19.753 -8.090 1.00 74.44 C ATOM 0 H MET A 3 -6.396 -21.111 -2.458 1.00 53.42 H new ATOM 0 HA MET A 3 -5.158 -20.563 -5.014 1.00 13.52 H new ATOM 0 HB2 MET A 3 -7.627 -21.406 -5.436 1.00 62.44 H new ATOM 0 HB3 MET A 3 -8.044 -19.797 -4.883 1.00 62.44 H new ATOM 0 HG2 MET A 3 -7.752 -19.609 -7.250 1.00 2.34 H new ATOM 0 HG3 MET A 3 -6.336 -18.870 -6.530 1.00 2.34 H new ATOM 0 HE1 MET A 3 -3.704 -20.264 -8.697 1.00 74.44 H new ATOM 0 HE2 MET A 3 -4.865 -18.916 -8.652 1.00 74.44 H new ATOM 0 HE3 MET A 3 -3.984 -19.382 -7.177 1.00 74.44 H new ATOM 35 N GLY A 4 -4.674 -18.522 -3.610 1.00 71.05 N ATOM 36 CA GLY A 4 -4.403 -17.271 -2.932 1.00 71.25 C ATOM 37 C GLY A 4 -4.791 -16.139 -3.860 1.00 73.33 C ATOM 38 O GLY A 4 -3.986 -15.728 -4.699 1.00 53.42 O ATOM 0 H GLY A 4 -3.862 -18.926 -4.077 1.00 71.05 H new ATOM 0 HA2 GLY A 4 -4.969 -17.212 -2.002 1.00 71.25 H new ATOM 0 HA3 GLY A 4 -3.348 -17.202 -2.668 1.00 71.25 H new ATOM 42 N LYS A 5 -5.988 -15.590 -3.667 1.00 52.45 N ATOM 43 CA LYS A 5 -6.509 -14.506 -4.486 1.00 43.25 C ATOM 44 C LYS A 5 -6.126 -13.145 -3.914 1.00 3.41 C ATOM 45 O LYS A 5 -6.547 -12.795 -2.810 1.00 0.51 O ATOM 46 CB LYS A 5 -8.015 -14.709 -4.729 1.00 35.14 C ATOM 47 CG LYS A 5 -8.909 -14.706 -3.476 1.00 20.01 C ATOM 48 CD LYS A 5 -10.321 -15.201 -3.822 1.00 11.33 C ATOM 49 CE LYS A 5 -11.363 -14.754 -2.791 1.00 3.42 C ATOM 50 NZ LYS A 5 -11.176 -15.352 -1.454 1.00 12.20 N ATOM 0 H LYS A 5 -6.627 -15.890 -2.930 1.00 52.45 H new ATOM 0 HA LYS A 5 -6.042 -14.526 -5.471 1.00 43.25 H new ATOM 0 HB2 LYS A 5 -8.363 -13.924 -5.401 1.00 35.14 H new ATOM 0 HB3 LYS A 5 -8.154 -15.658 -5.248 1.00 35.14 H new ATOM 0 HG2 LYS A 5 -8.471 -15.344 -2.708 1.00 20.01 H new ATOM 0 HG3 LYS A 5 -8.961 -13.699 -3.062 1.00 20.01 H new ATOM 0 HD2 LYS A 5 -10.604 -14.827 -4.806 1.00 11.33 H new ATOM 0 HD3 LYS A 5 -10.317 -16.289 -3.883 1.00 11.33 H new ATOM 0 HE2 LYS A 5 -11.328 -13.668 -2.701 1.00 3.42 H new ATOM 0 HE3 LYS A 5 -12.357 -15.012 -3.158 1.00 3.42 H new ATOM 0 HZ1 LYS A 5 -11.916 -15.004 -0.811 1.00 12.20 H new ATOM 0 HZ2 LYS A 5 -11.238 -16.388 -1.525 1.00 12.20 H new ATOM 0 HZ3 LYS A 5 -10.242 -15.086 -1.082 1.00 12.20 H new ATOM 64 N THR A 6 -5.301 -12.392 -4.643 1.00 31.11 N ATOM 65 CA THR A 6 -4.859 -11.061 -4.230 1.00 41.22 C ATOM 66 C THR A 6 -6.059 -10.100 -4.210 1.00 42.24 C ATOM 67 O THR A 6 -7.153 -10.423 -4.691 1.00 31.11 O ATOM 68 CB THR A 6 -3.729 -10.568 -5.165 1.00 21.22 C ATOM 69 OG1 THR A 6 -3.176 -9.350 -4.703 1.00 71.21 O ATOM 70 CG2 THR A 6 -4.191 -10.373 -6.609 1.00 62.43 C ATOM 0 H THR A 6 -4.919 -12.690 -5.541 1.00 31.11 H new ATOM 0 HA THR A 6 -4.451 -11.099 -3.220 1.00 41.22 H new ATOM 0 HB THR A 6 -2.975 -11.355 -5.149 1.00 21.22 H new ATOM 0 HG1 THR A 6 -2.286 -9.225 -5.095 1.00 71.21 H new ATOM 0 HG21 THR A 6 -3.354 -10.027 -7.215 1.00 62.43 H new ATOM 0 HG22 THR A 6 -4.558 -11.320 -7.005 1.00 62.43 H new ATOM 0 HG23 THR A 6 -4.991 -9.633 -6.638 1.00 62.43 H new ATOM 78 N PHE A 7 -5.841 -8.877 -3.723 1.00 24.34 N ATOM 79 CA PHE A 7 -6.849 -7.831 -3.636 1.00 72.22 C ATOM 80 C PHE A 7 -7.499 -7.607 -5.007 1.00 15.42 C ATOM 81 O PHE A 7 -8.725 -7.590 -5.099 1.00 15.22 O ATOM 82 CB PHE A 7 -6.254 -6.531 -3.068 1.00 1.54 C ATOM 83 CG PHE A 7 -5.388 -5.760 -4.044 1.00 62.02 C ATOM 84 CD1 PHE A 7 -4.069 -6.180 -4.294 1.00 13.44 C ATOM 85 CD2 PHE A 7 -5.928 -4.681 -4.772 1.00 72.32 C ATOM 86 CE1 PHE A 7 -3.293 -5.530 -5.264 1.00 63.45 C ATOM 87 CE2 PHE A 7 -5.153 -4.038 -5.751 1.00 62.22 C ATOM 88 CZ PHE A 7 -3.838 -4.465 -5.997 1.00 35.20 C ATOM 0 H PHE A 7 -4.930 -8.583 -3.369 1.00 24.34 H new ATOM 0 HA PHE A 7 -7.626 -8.154 -2.943 1.00 72.22 H new ATOM 0 HB2 PHE A 7 -7.069 -5.887 -2.737 1.00 1.54 H new ATOM 0 HB3 PHE A 7 -5.660 -6.772 -2.186 1.00 1.54 H new ATOM 0 HD1 PHE A 7 -3.653 -7.006 -3.737 1.00 13.44 H new ATOM 0 HD2 PHE A 7 -6.937 -4.349 -4.577 1.00 72.32 H new ATOM 0 HE1 PHE A 7 -2.277 -5.849 -5.447 1.00 63.45 H new ATOM 0 HE2 PHE A 7 -5.568 -3.215 -6.314 1.00 62.22 H new ATOM 0 HZ PHE A 7 -3.244 -3.972 -6.753 1.00 35.20 H new ATOM 98 N LYS A 8 -6.709 -7.537 -6.092 1.00 34.04 N ATOM 99 CA LYS A 8 -7.274 -7.302 -7.423 1.00 44.55 C ATOM 100 C LYS A 8 -8.139 -8.452 -7.937 1.00 23.40 C ATOM 101 O LYS A 8 -8.936 -8.258 -8.843 1.00 53.11 O ATOM 102 CB LYS A 8 -6.195 -6.890 -8.441 1.00 4.41 C ATOM 103 CG LYS A 8 -5.369 -8.032 -9.061 1.00 31.22 C ATOM 104 CD LYS A 8 -4.986 -7.724 -10.512 1.00 72.33 C ATOM 105 CE LYS A 8 -3.831 -6.728 -10.635 1.00 51.34 C ATOM 106 NZ LYS A 8 -2.541 -7.347 -10.269 1.00 41.44 N ATOM 0 H LYS A 8 -5.694 -7.638 -6.071 1.00 34.04 H new ATOM 0 HA LYS A 8 -7.954 -6.458 -7.307 1.00 44.55 H new ATOM 0 HB2 LYS A 8 -6.679 -6.341 -9.249 1.00 4.41 H new ATOM 0 HB3 LYS A 8 -5.509 -6.199 -7.951 1.00 4.41 H new ATOM 0 HG2 LYS A 8 -4.466 -8.191 -8.471 1.00 31.22 H new ATOM 0 HG3 LYS A 8 -5.942 -8.959 -9.024 1.00 31.22 H new ATOM 0 HD2 LYS A 8 -4.711 -8.652 -11.013 1.00 72.33 H new ATOM 0 HD3 LYS A 8 -5.857 -7.326 -11.034 1.00 72.33 H new ATOM 0 HE2 LYS A 8 -3.779 -6.354 -11.657 1.00 51.34 H new ATOM 0 HE3 LYS A 8 -4.020 -5.869 -9.991 1.00 51.34 H new ATOM 0 HZ1 LYS A 8 -1.768 -6.678 -10.460 1.00 41.44 H new ATOM 0 HZ2 LYS A 8 -2.547 -7.590 -9.258 1.00 41.44 H new ATOM 0 HZ3 LYS A 8 -2.398 -8.210 -10.831 1.00 41.44 H new ATOM 120 N GLN A 9 -7.930 -9.670 -7.431 1.00 11.52 N ATOM 121 CA GLN A 9 -8.711 -10.832 -7.831 1.00 51.12 C ATOM 122 C GLN A 9 -10.019 -10.839 -7.050 1.00 11.23 C ATOM 123 O GLN A 9 -11.063 -11.192 -7.588 1.00 42.41 O ATOM 124 CB GLN A 9 -7.918 -12.116 -7.579 1.00 52.25 C ATOM 125 CG GLN A 9 -6.863 -12.334 -8.658 1.00 32.14 C ATOM 126 CD GLN A 9 -6.011 -13.556 -8.367 1.00 1.42 C ATOM 127 OE1 GLN A 9 -6.453 -14.534 -7.779 1.00 62.25 O ATOM 128 NE2 GLN A 9 -4.767 -13.515 -8.777 1.00 40.21 N ATOM 0 H GLN A 9 -7.214 -9.873 -6.733 1.00 11.52 H new ATOM 0 HA GLN A 9 -8.931 -10.781 -8.897 1.00 51.12 H new ATOM 0 HB2 GLN A 9 -7.437 -12.064 -6.602 1.00 52.25 H new ATOM 0 HB3 GLN A 9 -8.598 -12.968 -7.554 1.00 52.25 H new ATOM 0 HG2 GLN A 9 -7.350 -12.452 -9.626 1.00 32.14 H new ATOM 0 HG3 GLN A 9 -6.225 -11.453 -8.727 1.00 32.14 H new ATOM 0 HE21 GLN A 9 -4.418 -12.690 -9.265 1.00 40.21 H new ATOM 0 HE22 GLN A 9 -4.148 -14.308 -8.608 1.00 40.21 H new ATOM 137 N ARG A 10 -9.990 -10.479 -5.759 1.00 2.10 N ATOM 138 CA ARG A 10 -11.202 -10.444 -4.935 1.00 34.21 C ATOM 139 C ARG A 10 -12.018 -9.163 -5.149 1.00 1.13 C ATOM 140 O ARG A 10 -13.113 -9.064 -4.601 1.00 11.34 O ATOM 141 CB ARG A 10 -10.888 -10.710 -3.451 1.00 12.44 C ATOM 142 CG ARG A 10 -10.032 -9.625 -2.793 1.00 54.31 C ATOM 143 CD ARG A 10 -9.553 -10.021 -1.397 1.00 54.23 C ATOM 144 NE ARG A 10 -10.584 -9.846 -0.365 1.00 43.24 N ATOM 145 CZ ARG A 10 -10.454 -10.217 0.914 1.00 72.12 C ATOM 146 NH1 ARG A 10 -9.403 -10.938 1.308 1.00 15.12 N ATOM 147 NH2 ARG A 10 -11.378 -9.851 1.793 1.00 12.31 N ATOM 0 H ARG A 10 -9.140 -10.208 -5.265 1.00 2.10 H new ATOM 0 HA ARG A 10 -11.840 -11.261 -5.270 1.00 34.21 H new ATOM 0 HB2 ARG A 10 -11.825 -10.802 -2.902 1.00 12.44 H new ATOM 0 HB3 ARG A 10 -10.373 -11.667 -3.365 1.00 12.44 H new ATOM 0 HG2 ARG A 10 -9.168 -9.416 -3.424 1.00 54.31 H new ATOM 0 HG3 ARG A 10 -10.609 -8.702 -2.727 1.00 54.31 H new ATOM 0 HD2 ARG A 10 -9.234 -11.063 -1.411 1.00 54.23 H new ATOM 0 HD3 ARG A 10 -8.680 -9.423 -1.135 1.00 54.23 H new ATOM 0 HE ARG A 10 -11.463 -9.410 -0.644 1.00 43.24 H new ATOM 0 HH11 ARG A 10 -8.690 -11.211 0.632 1.00 15.12 H new ATOM 0 HH12 ARG A 10 -9.313 -11.216 2.285 1.00 15.12 H new ATOM 0 HH21 ARG A 10 -12.177 -9.293 1.491 1.00 12.31 H new ATOM 0 HH22 ARG A 10 -11.290 -10.128 2.771 1.00 12.31 H new ATOM 161 N ARG A 11 -11.510 -8.179 -5.897 1.00 21.32 N ATOM 162 CA ARG A 11 -12.196 -6.928 -6.189 1.00 22.34 C ATOM 163 C ARG A 11 -11.971 -6.654 -7.667 1.00 43.11 C ATOM 164 O ARG A 11 -10.848 -6.313 -8.061 1.00 21.04 O ATOM 165 CB ARG A 11 -11.676 -5.785 -5.296 1.00 2.44 C ATOM 166 CG ARG A 11 -12.021 -5.946 -3.803 1.00 0.31 C ATOM 167 CD ARG A 11 -13.525 -5.809 -3.544 1.00 15.30 C ATOM 168 NE ARG A 11 -13.852 -5.896 -2.112 1.00 23.33 N ATOM 169 CZ ARG A 11 -14.877 -5.290 -1.497 1.00 53.23 C ATOM 170 NH1 ARG A 11 -15.656 -4.419 -2.128 1.00 72.02 N ATOM 171 NH2 ARG A 11 -15.131 -5.571 -0.226 1.00 61.21 N ATOM 0 H ARG A 11 -10.586 -8.237 -6.325 1.00 21.32 H new ATOM 0 HA ARG A 11 -13.262 -6.998 -5.975 1.00 22.34 H new ATOM 0 HB2 ARG A 11 -10.593 -5.719 -5.403 1.00 2.44 H new ATOM 0 HB3 ARG A 11 -12.089 -4.842 -5.654 1.00 2.44 H new ATOM 0 HG2 ARG A 11 -11.681 -6.921 -3.455 1.00 0.31 H new ATOM 0 HG3 ARG A 11 -11.483 -5.195 -3.224 1.00 0.31 H new ATOM 0 HD2 ARG A 11 -13.874 -4.854 -3.937 1.00 15.30 H new ATOM 0 HD3 ARG A 11 -14.058 -6.591 -4.085 1.00 15.30 H new ATOM 0 HE ARG A 11 -13.241 -6.472 -1.533 1.00 23.33 H new ATOM 0 HH11 ARG A 11 -15.482 -4.195 -3.108 1.00 72.02 H new ATOM 0 HH12 ARG A 11 -16.429 -3.974 -1.633 1.00 72.02 H new ATOM 0 HH21 ARG A 11 -14.549 -6.243 0.274 1.00 61.21 H new ATOM 0 HH22 ARG A 11 -15.909 -5.115 0.251 1.00 61.21 H new ATOM 185 N THR A 12 -13.015 -6.835 -8.477 1.00 62.35 N ATOM 186 CA THR A 12 -12.966 -6.622 -9.922 1.00 33.13 C ATOM 187 C THR A 12 -12.577 -5.168 -10.232 1.00 4.40 C ATOM 188 O THR A 12 -12.546 -4.329 -9.331 1.00 3.54 O ATOM 189 CB THR A 12 -14.305 -7.065 -10.547 1.00 53.33 C ATOM 190 OG1 THR A 12 -14.152 -7.214 -11.939 1.00 14.42 O ATOM 191 CG2 THR A 12 -15.466 -6.106 -10.277 1.00 73.04 C ATOM 0 H THR A 12 -13.930 -7.138 -8.142 1.00 62.35 H new ATOM 0 HA THR A 12 -12.190 -7.236 -10.379 1.00 33.13 H new ATOM 0 HB THR A 12 -14.560 -8.012 -10.071 1.00 53.33 H new ATOM 0 HG1 THR A 12 -15.003 -7.497 -12.333 1.00 14.42 H new ATOM 0 HG21 THR A 12 -16.371 -6.488 -10.749 1.00 73.04 H new ATOM 0 HG22 THR A 12 -15.626 -6.022 -9.202 1.00 73.04 H new ATOM 0 HG23 THR A 12 -15.230 -5.124 -10.687 1.00 73.04 H new ATOM 199 N PHE A 13 -12.279 -4.851 -11.495 1.00 21.20 N ATOM 200 CA PHE A 13 -11.888 -3.502 -11.902 1.00 63.13 C ATOM 201 C PHE A 13 -12.940 -2.464 -11.488 1.00 23.02 C ATOM 202 O PHE A 13 -12.582 -1.430 -10.929 1.00 61.44 O ATOM 203 CB PHE A 13 -11.600 -3.462 -13.405 1.00 53.32 C ATOM 204 CG PHE A 13 -10.956 -2.163 -13.838 1.00 40.21 C ATOM 205 CD1 PHE A 13 -11.758 -1.042 -14.113 1.00 61.43 C ATOM 206 CD2 PHE A 13 -9.556 -2.060 -13.945 1.00 60.44 C ATOM 207 CE1 PHE A 13 -11.170 0.165 -14.515 1.00 3.34 C ATOM 208 CE2 PHE A 13 -8.966 -0.845 -14.333 1.00 72.14 C ATOM 209 CZ PHE A 13 -9.771 0.269 -14.618 1.00 13.30 C ATOM 0 H PHE A 13 -12.302 -5.523 -12.262 1.00 21.20 H new ATOM 0 HA PHE A 13 -10.968 -3.237 -11.380 1.00 63.13 H new ATOM 0 HB2 PHE A 13 -10.946 -4.293 -13.668 1.00 53.32 H new ATOM 0 HB3 PHE A 13 -12.531 -3.603 -13.954 1.00 53.32 H new ATOM 0 HD1 PHE A 13 -12.831 -1.111 -14.014 1.00 61.43 H new ATOM 0 HD2 PHE A 13 -8.934 -2.916 -13.729 1.00 60.44 H new ATOM 0 HE1 PHE A 13 -11.792 1.017 -14.746 1.00 3.34 H new ATOM 0 HE2 PHE A 13 -7.892 -0.768 -14.412 1.00 72.14 H new ATOM 0 HZ PHE A 13 -9.318 1.203 -14.915 1.00 13.30 H new ATOM 219 N GLU A 14 -14.228 -2.757 -11.703 1.00 3.10 N ATOM 220 CA GLU A 14 -15.333 -1.866 -11.339 1.00 41.53 C ATOM 221 C GLU A 14 -15.277 -1.571 -9.838 1.00 62.33 C ATOM 222 O GLU A 14 -15.221 -0.417 -9.416 1.00 41.52 O ATOM 223 CB GLU A 14 -16.672 -2.512 -11.729 1.00 32.34 C ATOM 224 CG GLU A 14 -16.862 -2.641 -13.240 1.00 21.10 C ATOM 225 CD GLU A 14 -16.773 -1.314 -13.996 1.00 15.50 C ATOM 226 OE1 GLU A 14 -17.146 -0.237 -13.466 1.00 60.41 O ATOM 227 OE2 GLU A 14 -16.394 -1.346 -15.185 1.00 21.11 O ATOM 0 H GLU A 14 -14.534 -3.627 -12.138 1.00 3.10 H new ATOM 0 HA GLU A 14 -15.242 -0.923 -11.879 1.00 41.53 H new ATOM 0 HB2 GLU A 14 -16.736 -3.501 -11.276 1.00 32.34 H new ATOM 0 HB3 GLU A 14 -17.488 -1.919 -11.316 1.00 32.34 H new ATOM 0 HG2 GLU A 14 -16.108 -3.322 -13.633 1.00 21.10 H new ATOM 0 HG3 GLU A 14 -17.834 -3.094 -13.436 1.00 21.10 H new ATOM 234 N GLN A 15 -15.231 -2.633 -9.027 1.00 2.50 N ATOM 235 CA GLN A 15 -15.148 -2.528 -7.577 1.00 2.31 C ATOM 236 C GLN A 15 -13.916 -1.704 -7.184 1.00 61.24 C ATOM 237 O GLN A 15 -13.947 -1.012 -6.172 1.00 3.43 O ATOM 238 CB GLN A 15 -15.032 -3.936 -6.970 1.00 24.00 C ATOM 239 CG GLN A 15 -16.375 -4.600 -6.643 1.00 4.51 C ATOM 240 CD GLN A 15 -16.144 -6.014 -6.114 1.00 23.12 C ATOM 241 OE1 GLN A 15 -15.510 -6.830 -6.782 1.00 44.11 O ATOM 242 NE2 GLN A 15 -16.583 -6.331 -4.907 1.00 72.43 N ATOM 0 H GLN A 15 -15.251 -3.595 -9.367 1.00 2.50 H new ATOM 0 HA GLN A 15 -16.045 -2.036 -7.201 1.00 2.31 H new ATOM 0 HB2 GLN A 15 -14.485 -4.574 -7.665 1.00 24.00 H new ATOM 0 HB3 GLN A 15 -14.439 -3.877 -6.058 1.00 24.00 H new ATOM 0 HG2 GLN A 15 -16.911 -4.008 -5.901 1.00 4.51 H new ATOM 0 HG3 GLN A 15 -17.000 -4.634 -7.535 1.00 4.51 H new ATOM 0 HE21 GLN A 15 -17.108 -5.649 -4.360 1.00 72.43 H new ATOM 0 HE22 GLN A 15 -16.397 -7.258 -4.524 1.00 72.43 H new ATOM 251 N ARG A 16 -12.826 -1.781 -7.956 1.00 60.33 N ATOM 252 CA ARG A 16 -11.590 -1.060 -7.699 1.00 44.12 C ATOM 253 C ARG A 16 -11.756 0.441 -7.901 1.00 33.40 C ATOM 254 O ARG A 16 -11.412 1.182 -6.986 1.00 42.35 O ATOM 255 CB ARG A 16 -10.468 -1.580 -8.618 1.00 14.44 C ATOM 256 CG ARG A 16 -9.132 -1.752 -7.883 1.00 24.42 C ATOM 257 CD ARG A 16 -8.829 -3.211 -7.491 1.00 24.01 C ATOM 258 NE ARG A 16 -8.888 -4.157 -8.626 1.00 54.33 N ATOM 259 CZ ARG A 16 -8.149 -4.118 -9.746 1.00 33.40 C ATOM 260 NH1 ARG A 16 -7.159 -3.242 -9.895 1.00 20.30 N ATOM 261 NH2 ARG A 16 -8.396 -4.990 -10.718 1.00 15.20 N ATOM 0 H ARG A 16 -12.786 -2.361 -8.794 1.00 60.33 H new ATOM 0 HA ARG A 16 -11.324 -1.235 -6.656 1.00 44.12 H new ATOM 0 HB2 ARG A 16 -10.768 -2.537 -9.046 1.00 14.44 H new ATOM 0 HB3 ARG A 16 -10.334 -0.887 -9.449 1.00 14.44 H new ATOM 0 HG2 ARG A 16 -8.327 -1.380 -8.517 1.00 24.42 H new ATOM 0 HG3 ARG A 16 -9.140 -1.137 -6.983 1.00 24.42 H new ATOM 0 HD2 ARG A 16 -7.837 -3.258 -7.041 1.00 24.01 H new ATOM 0 HD3 ARG A 16 -9.540 -3.528 -6.728 1.00 24.01 H new ATOM 0 HE ARG A 16 -9.561 -4.920 -8.550 1.00 54.33 H new ATOM 0 HH11 ARG A 16 -6.947 -2.580 -9.148 1.00 20.30 H new ATOM 0 HH12 ARG A 16 -6.612 -3.232 -10.756 1.00 20.30 H new ATOM 0 HH21 ARG A 16 -9.140 -5.679 -10.608 1.00 15.20 H new ATOM 0 HH22 ARG A 16 -7.841 -4.970 -11.574 1.00 15.20 H new ATOM 275 N VAL A 17 -12.266 0.901 -9.048 1.00 72.14 N ATOM 276 CA VAL A 17 -12.420 2.339 -9.274 1.00 52.51 C ATOM 277 C VAL A 17 -13.379 2.930 -8.235 1.00 63.14 C ATOM 278 O VAL A 17 -13.100 3.988 -7.670 1.00 72.34 O ATOM 279 CB VAL A 17 -12.836 2.672 -10.722 1.00 15.33 C ATOM 280 CG1 VAL A 17 -11.736 2.259 -11.708 1.00 12.40 C ATOM 281 CG2 VAL A 17 -14.161 2.060 -11.187 1.00 74.24 C ATOM 0 H VAL A 17 -12.574 0.310 -9.820 1.00 72.14 H new ATOM 0 HA VAL A 17 -11.445 2.809 -9.143 1.00 52.51 H new ATOM 0 HB VAL A 17 -12.985 3.752 -10.712 1.00 15.33 H new ATOM 0 HG11 VAL A 17 -12.048 2.502 -12.724 1.00 12.40 H new ATOM 0 HG12 VAL A 17 -10.817 2.795 -11.473 1.00 12.40 H new ATOM 0 HG13 VAL A 17 -11.561 1.186 -11.629 1.00 12.40 H new ATOM 0 HG21 VAL A 17 -14.357 2.357 -12.217 1.00 74.24 H new ATOM 0 HG22 VAL A 17 -14.100 0.973 -11.128 1.00 74.24 H new ATOM 0 HG23 VAL A 17 -14.969 2.414 -10.547 1.00 74.24 H new ATOM 291 N GLU A 18 -14.468 2.212 -7.949 1.00 31.41 N ATOM 292 CA GLU A 18 -15.508 2.564 -6.994 1.00 51.52 C ATOM 293 C GLU A 18 -14.895 2.670 -5.595 1.00 41.25 C ATOM 294 O GLU A 18 -15.171 3.622 -4.875 1.00 44.53 O ATOM 295 CB GLU A 18 -16.575 1.457 -7.089 1.00 41.23 C ATOM 296 CG GLU A 18 -17.720 1.508 -6.069 1.00 4.22 C ATOM 297 CD GLU A 18 -18.671 0.305 -6.214 1.00 74.31 C ATOM 298 OE1 GLU A 18 -18.235 -0.826 -6.540 1.00 3.24 O ATOM 299 OE2 GLU A 18 -19.899 0.470 -6.015 1.00 74.14 O ATOM 0 H GLU A 18 -14.653 1.319 -8.407 1.00 31.41 H new ATOM 0 HA GLU A 18 -15.966 3.530 -7.206 1.00 51.52 H new ATOM 0 HB2 GLU A 18 -17.009 1.489 -8.088 1.00 41.23 H new ATOM 0 HB3 GLU A 18 -16.075 0.494 -6.990 1.00 41.23 H new ATOM 0 HG2 GLU A 18 -17.307 1.525 -5.060 1.00 4.22 H new ATOM 0 HG3 GLU A 18 -18.282 2.433 -6.199 1.00 4.22 H new ATOM 306 N ASP A 19 -14.031 1.730 -5.219 1.00 32.01 N ATOM 307 CA ASP A 19 -13.361 1.712 -3.923 1.00 1.32 C ATOM 308 C ASP A 19 -12.425 2.907 -3.802 1.00 24.04 C ATOM 309 O ASP A 19 -12.439 3.610 -2.796 1.00 72.23 O ATOM 310 CB ASP A 19 -12.588 0.397 -3.798 1.00 34.13 C ATOM 311 CG ASP A 19 -11.799 0.190 -2.513 1.00 72.14 C ATOM 312 OD1 ASP A 19 -12.137 0.791 -1.479 1.00 43.34 O ATOM 313 OD2 ASP A 19 -10.913 -0.707 -2.528 1.00 12.10 O ATOM 0 H ASP A 19 -13.773 0.946 -5.818 1.00 32.01 H new ATOM 0 HA ASP A 19 -14.092 1.781 -3.118 1.00 1.32 H new ATOM 0 HB2 ASP A 19 -13.296 -0.425 -3.899 1.00 34.13 H new ATOM 0 HB3 ASP A 19 -11.896 0.327 -4.638 1.00 34.13 H new ATOM 318 N VAL A 20 -11.622 3.177 -4.834 1.00 51.52 N ATOM 319 CA VAL A 20 -10.688 4.296 -4.824 1.00 54.30 C ATOM 320 C VAL A 20 -11.445 5.613 -4.673 1.00 14.35 C ATOM 321 O VAL A 20 -11.125 6.397 -3.777 1.00 32.03 O ATOM 322 CB VAL A 20 -9.811 4.284 -6.089 1.00 52.40 C ATOM 323 CG1 VAL A 20 -8.906 5.519 -6.156 1.00 24.02 C ATOM 324 CG2 VAL A 20 -8.873 3.077 -6.090 1.00 43.14 C ATOM 0 H VAL A 20 -11.604 2.628 -5.693 1.00 51.52 H new ATOM 0 HA VAL A 20 -10.022 4.194 -3.967 1.00 54.30 H new ATOM 0 HB VAL A 20 -10.500 4.258 -6.933 1.00 52.40 H new ATOM 0 HG11 VAL A 20 -8.301 5.478 -7.062 1.00 24.02 H new ATOM 0 HG12 VAL A 20 -9.520 6.420 -6.170 1.00 24.02 H new ATOM 0 HG13 VAL A 20 -8.253 5.539 -5.284 1.00 24.02 H new ATOM 0 HG21 VAL A 20 -8.264 3.090 -6.994 1.00 43.14 H new ATOM 0 HG22 VAL A 20 -8.225 3.119 -5.215 1.00 43.14 H new ATOM 0 HG23 VAL A 20 -9.461 2.159 -6.062 1.00 43.14 H new ATOM 334 N ARG A 21 -12.426 5.890 -5.535 1.00 55.30 N ATOM 335 CA ARG A 21 -13.182 7.138 -5.460 1.00 72.01 C ATOM 336 C ARG A 21 -13.922 7.252 -4.126 1.00 14.33 C ATOM 337 O ARG A 21 -13.901 8.320 -3.507 1.00 1.15 O ATOM 338 CB ARG A 21 -14.075 7.290 -6.709 1.00 73.20 C ATOM 339 CG ARG A 21 -15.199 6.262 -6.879 1.00 73.14 C ATOM 340 CD ARG A 21 -16.534 6.642 -6.238 1.00 51.12 C ATOM 341 NE ARG A 21 -17.214 7.649 -7.055 1.00 54.12 N ATOM 342 CZ ARG A 21 -18.229 7.449 -7.899 1.00 34.21 C ATOM 343 NH1 ARG A 21 -18.888 6.293 -7.910 1.00 43.50 N ATOM 344 NH2 ARG A 21 -18.587 8.415 -8.734 1.00 44.32 N ATOM 0 H ARG A 21 -12.713 5.268 -6.290 1.00 55.30 H new ATOM 0 HA ARG A 21 -12.501 7.989 -5.474 1.00 72.01 H new ATOM 0 HB2 ARG A 21 -14.523 8.284 -6.689 1.00 73.20 H new ATOM 0 HB3 ARG A 21 -13.437 7.246 -7.591 1.00 73.20 H new ATOM 0 HG2 ARG A 21 -15.360 6.097 -7.944 1.00 73.14 H new ATOM 0 HG3 ARG A 21 -14.869 5.313 -6.456 1.00 73.14 H new ATOM 0 HD2 ARG A 21 -17.163 5.758 -6.138 1.00 51.12 H new ATOM 0 HD3 ARG A 21 -16.367 7.030 -5.233 1.00 51.12 H new ATOM 0 HE ARG A 21 -16.875 8.607 -6.970 1.00 54.12 H new ATOM 0 HH11 ARG A 21 -18.620 5.547 -7.269 1.00 43.50 H new ATOM 0 HH12 ARG A 21 -19.662 6.153 -8.560 1.00 43.50 H new ATOM 0 HH21 ARG A 21 -18.088 9.304 -8.729 1.00 44.32 H new ATOM 0 HH22 ARG A 21 -19.362 8.269 -9.381 1.00 44.32 H new ATOM 358 N LEU A 22 -14.540 6.173 -3.637 1.00 55.52 N ATOM 359 CA LEU A 22 -15.257 6.214 -2.367 1.00 12.21 C ATOM 360 C LEU A 22 -14.255 6.529 -1.256 1.00 14.35 C ATOM 361 O LEU A 22 -14.520 7.390 -0.421 1.00 0.45 O ATOM 362 CB LEU A 22 -16.059 4.921 -2.178 1.00 75.32 C ATOM 363 CG LEU A 22 -17.225 4.967 -1.179 1.00 63.42 C ATOM 364 CD1 LEU A 22 -16.786 4.947 0.278 1.00 21.44 C ATOM 365 CD2 LEU A 22 -18.201 6.123 -1.431 1.00 62.34 C ATOM 0 H LEU A 22 -14.556 5.265 -4.102 1.00 55.52 H new ATOM 0 HA LEU A 22 -16.002 7.009 -2.342 1.00 12.21 H new ATOM 0 HB2 LEU A 22 -16.455 4.622 -3.149 1.00 75.32 H new ATOM 0 HB3 LEU A 22 -15.371 4.138 -1.860 1.00 75.32 H new ATOM 0 HG LEU A 22 -17.763 4.037 -1.366 1.00 63.42 H new ATOM 0 HD11 LEU A 22 -17.664 4.982 0.923 1.00 21.44 H new ATOM 0 HD12 LEU A 22 -16.226 4.033 0.477 1.00 21.44 H new ATOM 0 HD13 LEU A 22 -16.153 5.812 0.479 1.00 21.44 H new ATOM 0 HD21 LEU A 22 -18.999 6.094 -0.689 1.00 62.34 H new ATOM 0 HD22 LEU A 22 -17.669 7.071 -1.355 1.00 62.34 H new ATOM 0 HD23 LEU A 22 -18.630 6.026 -2.428 1.00 62.34 H new ATOM 377 N ILE A 23 -13.058 5.938 -1.291 1.00 74.41 N ATOM 378 CA ILE A 23 -12.008 6.197 -0.312 1.00 15.12 C ATOM 379 C ILE A 23 -11.629 7.678 -0.408 1.00 32.04 C ATOM 380 O ILE A 23 -11.445 8.321 0.620 1.00 21.35 O ATOM 381 CB ILE A 23 -10.822 5.237 -0.535 1.00 34.42 C ATOM 382 CG1 ILE A 23 -11.162 3.861 0.075 1.00 53.12 C ATOM 383 CG2 ILE A 23 -9.475 5.768 -0.022 1.00 3.44 C ATOM 384 CD1 ILE A 23 -10.957 3.729 1.592 1.00 13.33 C ATOM 0 H ILE A 23 -12.792 5.262 -2.007 1.00 74.41 H new ATOM 0 HA ILE A 23 -12.351 6.004 0.704 1.00 15.12 H new ATOM 0 HB ILE A 23 -10.683 5.143 -1.612 1.00 34.42 H new ATOM 0 HG12 ILE A 23 -12.203 3.632 -0.152 1.00 53.12 H new ATOM 0 HG13 ILE A 23 -10.553 3.105 -0.421 1.00 53.12 H new ATOM 0 HG21 ILE A 23 -8.695 5.032 -0.218 1.00 3.44 H new ATOM 0 HG22 ILE A 23 -9.232 6.699 -0.534 1.00 3.44 H new ATOM 0 HG23 ILE A 23 -9.540 5.950 1.051 1.00 3.44 H new ATOM 0 HD11 ILE A 23 -11.227 2.722 1.909 1.00 13.33 H new ATOM 0 HD12 ILE A 23 -9.912 3.918 1.836 1.00 13.33 H new ATOM 0 HD13 ILE A 23 -11.587 4.453 2.109 1.00 13.33 H new ATOM 396 N ARG A 24 -11.519 8.249 -1.613 1.00 51.43 N ATOM 397 CA ARG A 24 -11.184 9.665 -1.789 1.00 54.54 C ATOM 398 C ARG A 24 -12.291 10.548 -1.209 1.00 3.33 C ATOM 399 O ARG A 24 -12.003 11.681 -0.831 1.00 62.22 O ATOM 400 CB ARG A 24 -11.015 10.016 -3.281 1.00 74.04 C ATOM 401 CG ARG A 24 -9.890 9.278 -4.024 1.00 24.44 C ATOM 402 CD ARG A 24 -8.624 10.116 -4.182 1.00 62.14 C ATOM 403 NE ARG A 24 -7.960 10.337 -2.882 1.00 1.13 N ATOM 404 CZ ARG A 24 -7.664 11.528 -2.338 1.00 61.31 C ATOM 405 NH1 ARG A 24 -7.741 12.643 -3.050 1.00 11.32 N ATOM 406 NH2 ARG A 24 -7.316 11.607 -1.061 1.00 12.31 N ATOM 0 H ARG A 24 -11.659 7.745 -2.489 1.00 51.43 H new ATOM 0 HA ARG A 24 -10.244 9.845 -1.267 1.00 54.54 H new ATOM 0 HB2 ARG A 24 -11.956 9.810 -3.791 1.00 74.04 H new ATOM 0 HB3 ARG A 24 -10.836 11.088 -3.363 1.00 74.04 H new ATOM 0 HG2 ARG A 24 -9.647 8.362 -3.485 1.00 24.44 H new ATOM 0 HG3 ARG A 24 -10.248 8.982 -5.010 1.00 24.44 H new ATOM 0 HD2 ARG A 24 -7.936 9.615 -4.863 1.00 62.14 H new ATOM 0 HD3 ARG A 24 -8.875 11.076 -4.632 1.00 62.14 H new ATOM 0 HE ARG A 24 -7.702 9.507 -2.347 1.00 1.13 H new ATOM 0 HH11 ARG A 24 -8.029 12.605 -4.028 1.00 11.32 H new ATOM 0 HH12 ARG A 24 -7.512 13.539 -2.620 1.00 11.32 H new ATOM 0 HH21 ARG A 24 -7.273 10.762 -0.491 1.00 12.31 H new ATOM 0 HH22 ARG A 24 -7.091 12.513 -0.649 1.00 12.31 H new ATOM 420 N GLU A 25 -13.533 10.068 -1.174 1.00 44.34 N ATOM 421 CA GLU A 25 -14.685 10.792 -0.656 1.00 1.25 C ATOM 422 C GLU A 25 -14.732 10.736 0.877 1.00 72.22 C ATOM 423 O GLU A 25 -14.799 11.780 1.527 1.00 55.53 O ATOM 424 CB GLU A 25 -15.968 10.234 -1.296 1.00 3.15 C ATOM 425 CG GLU A 25 -17.203 11.053 -0.916 1.00 75.24 C ATOM 426 CD GLU A 25 -18.450 10.534 -1.630 1.00 12.41 C ATOM 427 OE1 GLU A 25 -18.713 10.985 -2.772 1.00 35.22 O ATOM 428 OE2 GLU A 25 -19.219 9.758 -1.021 1.00 72.33 O ATOM 0 H GLU A 25 -13.769 9.137 -1.516 1.00 44.34 H new ATOM 0 HA GLU A 25 -14.599 11.845 -0.923 1.00 1.25 H new ATOM 0 HB2 GLU A 25 -15.858 10.226 -2.380 1.00 3.15 H new ATOM 0 HB3 GLU A 25 -16.109 9.200 -0.983 1.00 3.15 H new ATOM 0 HG2 GLU A 25 -17.354 11.010 0.163 1.00 75.24 H new ATOM 0 HG3 GLU A 25 -17.042 12.100 -1.174 1.00 75.24 H new ATOM 435 N GLN A 26 -14.694 9.537 1.468 1.00 61.10 N ATOM 436 CA GLN A 26 -14.751 9.342 2.916 1.00 53.01 C ATOM 437 C GLN A 26 -13.447 9.772 3.601 1.00 43.10 C ATOM 438 O GLN A 26 -13.469 10.413 4.657 1.00 52.12 O ATOM 439 CB GLN A 26 -15.130 7.875 3.224 1.00 3.34 C ATOM 440 CG GLN A 26 -14.043 6.842 2.884 1.00 13.32 C ATOM 441 CD GLN A 26 -14.515 5.388 2.766 1.00 40.30 C ATOM 442 OE1 GLN A 26 -14.069 4.651 1.891 1.00 52.52 O ATOM 443 NE2 GLN A 26 -15.379 4.914 3.640 1.00 3.21 N ATOM 0 H GLN A 26 -14.622 8.665 0.945 1.00 61.10 H new ATOM 0 HA GLN A 26 -15.526 9.986 3.331 1.00 53.01 H new ATOM 0 HB2 GLN A 26 -15.371 7.792 4.284 1.00 3.34 H new ATOM 0 HB3 GLN A 26 -16.035 7.625 2.670 1.00 3.34 H new ATOM 0 HG2 GLN A 26 -13.577 7.130 1.942 1.00 13.32 H new ATOM 0 HG3 GLN A 26 -13.269 6.892 3.650 1.00 13.32 H new ATOM 0 HE21 GLN A 26 -15.753 5.522 4.369 1.00 3.21 H new ATOM 0 HE22 GLN A 26 -15.674 3.939 3.588 1.00 3.21 H new ATOM 452 N HIS A 27 -12.303 9.470 2.979 1.00 52.43 N ATOM 453 CA HIS A 27 -10.967 9.781 3.479 1.00 51.03 C ATOM 454 C HIS A 27 -10.202 10.625 2.455 1.00 75.02 C ATOM 455 O HIS A 27 -9.205 10.187 1.873 1.00 11.31 O ATOM 456 CB HIS A 27 -10.226 8.498 3.880 1.00 34.35 C ATOM 457 CG HIS A 27 -10.850 7.761 5.039 1.00 51.20 C ATOM 458 ND1 HIS A 27 -11.202 6.439 5.061 1.00 31.55 N flip ATOM 459 CD2 HIS A 27 -11.171 8.300 6.267 1.00 61.44 C flip ATOM 460 CE1 HIS A 27 -11.738 6.167 6.323 1.00 61.11 C flip ATOM 461 NE2 HIS A 27 -11.696 7.317 7.017 1.00 64.24 N flip ATOM 0 H HIS A 27 -12.285 8.985 2.082 1.00 52.43 H new ATOM 0 HA HIS A 27 -11.048 10.382 4.385 1.00 51.03 H new ATOM 0 HB2 HIS A 27 -10.185 7.831 3.019 1.00 34.35 H new ATOM 0 HB3 HIS A 27 -9.197 8.751 4.136 1.00 34.35 H new ATOM 0 HD2 HIS A 27 -11.027 9.326 6.571 1.00 61.44 H new ATOM 0 HE1 HIS A 27 -12.113 5.217 6.673 1.00 61.11 H new ATOM 0 HE2 HIS A 27 -12.018 7.428 7.979 1.00 64.24 H new ATOM 469 N PRO A 28 -10.623 11.881 2.241 1.00 14.14 N ATOM 470 CA PRO A 28 -9.980 12.776 1.294 1.00 73.32 C ATOM 471 C PRO A 28 -8.573 13.170 1.731 1.00 34.01 C ATOM 472 O PRO A 28 -7.782 13.581 0.883 1.00 35.11 O ATOM 473 CB PRO A 28 -10.895 13.998 1.200 1.00 22.01 C ATOM 474 CG PRO A 28 -11.587 14.015 2.554 1.00 20.04 C ATOM 475 CD PRO A 28 -11.762 12.538 2.853 1.00 11.03 C ATOM 0 HA PRO A 28 -9.850 12.289 0.327 1.00 73.32 H new ATOM 0 HB2 PRO A 28 -10.329 14.913 1.025 1.00 22.01 H new ATOM 0 HB3 PRO A 28 -11.610 13.904 0.383 1.00 22.01 H new ATOM 0 HG2 PRO A 28 -10.983 14.514 3.312 1.00 20.04 H new ATOM 0 HG3 PRO A 28 -12.543 14.537 2.514 1.00 20.04 H new ATOM 0 HD2 PRO A 28 -11.790 12.356 3.927 1.00 11.03 H new ATOM 0 HD3 PRO A 28 -12.699 12.163 2.442 1.00 11.03 H new ATOM 483 N THR A 29 -8.251 13.003 3.012 1.00 74.51 N ATOM 484 CA THR A 29 -6.970 13.311 3.616 1.00 73.32 C ATOM 485 C THR A 29 -6.008 12.118 3.550 1.00 60.50 C ATOM 486 O THR A 29 -4.892 12.222 4.068 1.00 42.34 O ATOM 487 CB THR A 29 -7.257 13.672 5.085 1.00 3.43 C ATOM 488 OG1 THR A 29 -8.074 12.675 5.679 1.00 0.13 O ATOM 489 CG2 THR A 29 -7.974 15.020 5.198 1.00 21.44 C ATOM 0 H THR A 29 -8.917 12.629 3.687 1.00 74.51 H new ATOM 0 HA THR A 29 -6.490 14.130 3.080 1.00 73.32 H new ATOM 0 HB THR A 29 -6.299 13.735 5.601 1.00 3.43 H new ATOM 0 HG1 THR A 29 -8.251 12.911 6.614 1.00 0.13 H new ATOM 0 HG21 THR A 29 -8.162 15.245 6.248 1.00 21.44 H new ATOM 0 HG22 THR A 29 -7.350 15.802 4.765 1.00 21.44 H new ATOM 0 HG23 THR A 29 -8.922 14.974 4.662 1.00 21.44 H new ATOM 497 N LYS A 30 -6.404 10.988 2.938 1.00 3.25 N ATOM 498 CA LYS A 30 -5.583 9.788 2.813 1.00 75.31 C ATOM 499 C LYS A 30 -5.490 9.393 1.346 1.00 62.42 C ATOM 500 O LYS A 30 -6.440 9.558 0.576 1.00 63.10 O ATOM 501 CB LYS A 30 -6.164 8.641 3.659 1.00 75.31 C ATOM 502 CG LYS A 30 -6.128 8.878 5.186 1.00 73.50 C ATOM 503 CD LYS A 30 -4.716 9.217 5.693 1.00 73.12 C ATOM 504 CE LYS A 30 -4.493 9.130 7.204 1.00 44.13 C ATOM 505 NZ LYS A 30 -5.425 9.975 7.994 1.00 32.11 N ATOM 0 H LYS A 30 -7.325 10.890 2.510 1.00 3.25 H new ATOM 0 HA LYS A 30 -4.581 9.996 3.188 1.00 75.31 H new ATOM 0 HB2 LYS A 30 -7.197 8.473 3.356 1.00 75.31 H new ATOM 0 HB3 LYS A 30 -5.613 7.728 3.434 1.00 75.31 H new ATOM 0 HG2 LYS A 30 -6.808 9.691 5.441 1.00 73.50 H new ATOM 0 HG3 LYS A 30 -6.491 7.987 5.698 1.00 73.50 H new ATOM 0 HD2 LYS A 30 -4.008 8.547 5.205 1.00 73.12 H new ATOM 0 HD3 LYS A 30 -4.472 10.229 5.370 1.00 73.12 H new ATOM 0 HE2 LYS A 30 -4.601 8.092 7.519 1.00 44.13 H new ATOM 0 HE3 LYS A 30 -3.468 9.426 7.429 1.00 44.13 H new ATOM 0 HZ1 LYS A 30 -5.217 9.867 9.007 1.00 32.11 H new ATOM 0 HZ2 LYS A 30 -5.307 10.971 7.720 1.00 32.11 H new ATOM 0 HZ3 LYS A 30 -6.404 9.679 7.808 1.00 32.11 H new ATOM 519 N ILE A 31 -4.361 8.808 0.960 1.00 13.21 N ATOM 520 CA ILE A 31 -4.091 8.366 -0.394 1.00 40.14 C ATOM 521 C ILE A 31 -4.069 6.827 -0.387 1.00 41.11 C ATOM 522 O ILE A 31 -3.326 6.244 0.419 1.00 15.41 O ATOM 523 CB ILE A 31 -2.772 8.975 -0.935 1.00 75.13 C ATOM 524 CG1 ILE A 31 -2.768 10.519 -1.065 1.00 0.24 C ATOM 525 CG2 ILE A 31 -2.431 8.378 -2.314 1.00 74.11 C ATOM 526 CD1 ILE A 31 -3.942 11.145 -1.809 1.00 15.21 C ATOM 0 H ILE A 31 -3.590 8.625 1.602 1.00 13.21 H new ATOM 0 HA ILE A 31 -4.871 8.713 -1.071 1.00 40.14 H new ATOM 0 HB ILE A 31 -2.025 8.717 -0.184 1.00 75.13 H new ATOM 0 HG12 ILE A 31 -2.734 10.945 -0.062 1.00 0.24 H new ATOM 0 HG13 ILE A 31 -1.848 10.816 -1.569 1.00 0.24 H new ATOM 0 HG21 ILE A 31 -1.502 8.816 -2.680 1.00 74.11 H new ATOM 0 HG22 ILE A 31 -2.312 7.298 -2.224 1.00 74.11 H new ATOM 0 HG23 ILE A 31 -3.237 8.597 -3.015 1.00 74.11 H new ATOM 0 HD11 ILE A 31 -3.823 12.228 -1.832 1.00 15.21 H new ATOM 0 HD12 ILE A 31 -3.972 10.762 -2.829 1.00 15.21 H new ATOM 0 HD13 ILE A 31 -4.872 10.893 -1.299 1.00 15.21 H new ATOM 538 N PRO A 32 -4.869 6.179 -1.265 1.00 51.52 N ATOM 539 CA PRO A 32 -4.944 4.732 -1.417 1.00 4.31 C ATOM 540 C PRO A 32 -3.731 4.200 -2.214 1.00 15.13 C ATOM 541 O PRO A 32 -3.615 4.366 -3.442 1.00 21.11 O ATOM 542 CB PRO A 32 -6.273 4.468 -2.131 1.00 22.33 C ATOM 543 CG PRO A 32 -6.566 5.736 -2.925 1.00 43.23 C ATOM 544 CD PRO A 32 -5.785 6.826 -2.200 1.00 55.51 C ATOM 0 HA PRO A 32 -4.910 4.212 -0.460 1.00 4.31 H new ATOM 0 HB2 PRO A 32 -6.200 3.601 -2.788 1.00 22.33 H new ATOM 0 HB3 PRO A 32 -7.069 4.260 -1.416 1.00 22.33 H new ATOM 0 HG2 PRO A 32 -6.244 5.639 -3.962 1.00 43.23 H new ATOM 0 HG3 PRO A 32 -7.633 5.956 -2.942 1.00 43.23 H new ATOM 0 HD2 PRO A 32 -5.232 7.437 -2.913 1.00 55.51 H new ATOM 0 HD3 PRO A 32 -6.464 7.492 -1.668 1.00 55.51 H new ATOM 552 N VAL A 33 -2.824 3.530 -1.508 1.00 34.24 N ATOM 553 CA VAL A 33 -1.611 2.953 -2.071 1.00 34.01 C ATOM 554 C VAL A 33 -1.584 1.455 -1.730 1.00 11.32 C ATOM 555 O VAL A 33 -1.905 1.060 -0.605 1.00 15.31 O ATOM 556 CB VAL A 33 -0.383 3.734 -1.560 1.00 63.34 C ATOM 557 CG1 VAL A 33 -0.257 3.808 -0.035 1.00 31.01 C ATOM 558 CG2 VAL A 33 0.917 3.161 -2.130 1.00 12.12 C ATOM 0 H VAL A 33 -2.916 3.371 -0.505 1.00 34.24 H new ATOM 0 HA VAL A 33 -1.589 3.037 -3.158 1.00 34.01 H new ATOM 0 HB VAL A 33 -0.548 4.751 -1.916 1.00 63.34 H new ATOM 0 HG11 VAL A 33 0.635 4.376 0.229 1.00 31.01 H new ATOM 0 HG12 VAL A 33 -1.137 4.301 0.379 1.00 31.01 H new ATOM 0 HG13 VAL A 33 -0.180 2.800 0.373 1.00 31.01 H new ATOM 0 HG21 VAL A 33 1.764 3.733 -1.751 1.00 12.12 H new ATOM 0 HG22 VAL A 33 1.019 2.119 -1.827 1.00 12.12 H new ATOM 0 HG23 VAL A 33 0.895 3.222 -3.218 1.00 12.12 H new ATOM 568 N ILE A 34 -1.206 0.628 -2.698 1.00 72.01 N ATOM 569 CA ILE A 34 -1.088 -0.816 -2.605 1.00 60.22 C ATOM 570 C ILE A 34 0.363 -1.100 -2.255 1.00 72.10 C ATOM 571 O ILE A 34 1.260 -0.570 -2.903 1.00 22.25 O ATOM 572 CB ILE A 34 -1.481 -1.456 -3.964 1.00 31.00 C ATOM 573 CG1 ILE A 34 -3.008 -1.482 -4.154 1.00 0.54 C ATOM 574 CG2 ILE A 34 -0.871 -2.837 -4.268 1.00 11.32 C ATOM 575 CD1 ILE A 34 -3.831 -2.285 -3.147 1.00 62.01 C ATOM 0 H ILE A 34 -0.959 0.973 -3.625 1.00 72.01 H new ATOM 0 HA ILE A 34 -1.750 -1.238 -1.849 1.00 60.22 H new ATOM 0 HB ILE A 34 -1.026 -0.791 -4.699 1.00 31.00 H new ATOM 0 HG12 ILE A 34 -3.367 -0.453 -4.137 1.00 0.54 H new ATOM 0 HG13 ILE A 34 -3.216 -1.876 -5.149 1.00 0.54 H new ATOM 0 HG21 ILE A 34 -1.217 -3.181 -5.242 1.00 11.32 H new ATOM 0 HG22 ILE A 34 0.216 -2.761 -4.276 1.00 11.32 H new ATOM 0 HG23 ILE A 34 -1.180 -3.548 -3.501 1.00 11.32 H new ATOM 0 HD11 ILE A 34 -4.888 -2.215 -3.403 1.00 62.01 H new ATOM 0 HD12 ILE A 34 -3.520 -3.329 -3.173 1.00 62.01 H new ATOM 0 HD13 ILE A 34 -3.672 -1.884 -2.146 1.00 62.01 H new ATOM 587 N ILE A 35 0.595 -1.941 -1.253 1.00 20.33 N ATOM 588 CA ILE A 35 1.913 -2.349 -0.795 1.00 2.50 C ATOM 589 C ILE A 35 1.907 -3.861 -0.972 1.00 22.41 C ATOM 590 O ILE A 35 1.214 -4.558 -0.230 1.00 72.23 O ATOM 591 CB ILE A 35 2.141 -1.853 0.655 1.00 35.42 C ATOM 592 CG1 ILE A 35 2.372 -0.325 0.601 1.00 44.23 C ATOM 593 CG2 ILE A 35 3.304 -2.597 1.336 1.00 51.50 C ATOM 594 CD1 ILE A 35 2.677 0.342 1.946 1.00 62.41 C ATOM 0 H ILE A 35 -0.160 -2.372 -0.719 1.00 20.33 H new ATOM 0 HA ILE A 35 2.749 -1.919 -1.347 1.00 2.50 H new ATOM 0 HB ILE A 35 1.264 -2.067 1.266 1.00 35.42 H new ATOM 0 HG12 ILE A 35 3.198 -0.124 -0.081 1.00 44.23 H new ATOM 0 HG13 ILE A 35 1.485 0.144 0.175 1.00 44.23 H new ATOM 0 HG21 ILE A 35 3.432 -2.221 2.351 1.00 51.50 H new ATOM 0 HG22 ILE A 35 3.083 -3.664 1.370 1.00 51.50 H new ATOM 0 HG23 ILE A 35 4.221 -2.434 0.770 1.00 51.50 H new ATOM 0 HD11 ILE A 35 2.822 1.412 1.797 1.00 62.41 H new ATOM 0 HD12 ILE A 35 1.843 0.181 2.629 1.00 62.41 H new ATOM 0 HD13 ILE A 35 3.583 -0.091 2.370 1.00 62.41 H new ATOM 606 N GLU A 36 2.679 -4.373 -1.931 1.00 61.31 N ATOM 607 CA GLU A 36 2.768 -5.796 -2.234 1.00 75.23 C ATOM 608 C GLU A 36 4.224 -6.281 -2.108 1.00 4.43 C ATOM 609 O GLU A 36 5.184 -5.541 -2.360 1.00 63.35 O ATOM 610 CB GLU A 36 2.113 -6.026 -3.619 1.00 21.32 C ATOM 611 CG GLU A 36 1.583 -7.451 -3.857 1.00 13.31 C ATOM 612 CD GLU A 36 0.815 -7.592 -5.188 1.00 75.22 C ATOM 613 OE1 GLU A 36 1.434 -7.478 -6.273 1.00 1.21 O ATOM 614 OE2 GLU A 36 -0.402 -7.921 -5.182 1.00 22.41 O ATOM 0 H GLU A 36 3.271 -3.796 -2.529 1.00 61.31 H new ATOM 0 HA GLU A 36 2.219 -6.405 -1.516 1.00 75.23 H new ATOM 0 HB2 GLU A 36 1.288 -5.323 -3.736 1.00 21.32 H new ATOM 0 HB3 GLU A 36 2.843 -5.792 -4.393 1.00 21.32 H new ATOM 0 HG2 GLU A 36 2.419 -8.150 -3.850 1.00 13.31 H new ATOM 0 HG3 GLU A 36 0.927 -7.731 -3.033 1.00 13.31 H new ATOM 621 N ARG A 37 4.383 -7.521 -1.649 1.00 62.35 N ATOM 622 CA ARG A 37 5.680 -8.166 -1.477 1.00 0.51 C ATOM 623 C ARG A 37 6.191 -8.563 -2.858 1.00 55.21 C ATOM 624 O ARG A 37 5.402 -9.094 -3.651 1.00 24.24 O ATOM 625 CB ARG A 37 5.480 -9.367 -0.540 1.00 32.14 C ATOM 626 CG ARG A 37 6.811 -10.059 -0.219 1.00 61.42 C ATOM 627 CD ARG A 37 6.719 -11.530 0.139 1.00 1.11 C ATOM 628 NE ARG A 37 6.042 -12.268 -0.931 1.00 0.21 N ATOM 629 CZ ARG A 37 5.900 -13.597 -0.967 1.00 51.53 C ATOM 630 NH1 ARG A 37 6.470 -14.354 -0.035 1.00 40.33 N ATOM 631 NH2 ARG A 37 5.166 -14.190 -1.903 1.00 51.51 N ATOM 0 H ARG A 37 3.598 -8.115 -1.382 1.00 62.35 H new ATOM 0 HA ARG A 37 6.426 -7.512 -1.026 1.00 0.51 H new ATOM 0 HB2 ARG A 37 5.010 -9.033 0.385 1.00 32.14 H new ATOM 0 HB3 ARG A 37 4.800 -10.082 -1.003 1.00 32.14 H new ATOM 0 HG2 ARG A 37 7.471 -9.954 -1.080 1.00 61.42 H new ATOM 0 HG3 ARG A 37 7.283 -9.531 0.610 1.00 61.42 H new ATOM 0 HD2 ARG A 37 7.718 -11.937 0.296 1.00 1.11 H new ATOM 0 HD3 ARG A 37 6.174 -11.651 1.075 1.00 1.11 H new ATOM 0 HE ARG A 37 5.651 -11.729 -1.704 1.00 0.21 H new ATOM 0 HH11 ARG A 37 7.017 -13.921 0.709 1.00 40.33 H new ATOM 0 HH12 ARG A 37 6.361 -15.368 -0.064 1.00 40.33 H new ATOM 0 HH21 ARG A 37 4.696 -13.629 -2.614 1.00 51.51 H new ATOM 0 HH22 ARG A 37 5.072 -15.206 -1.910 1.00 51.51 H new ATOM 645 N TYR A 38 7.460 -8.303 -3.168 1.00 35.42 N ATOM 646 CA TYR A 38 8.039 -8.657 -4.458 1.00 11.34 C ATOM 647 C TYR A 38 7.950 -10.173 -4.669 1.00 64.15 C ATOM 648 O TYR A 38 8.126 -10.967 -3.744 1.00 24.32 O ATOM 649 CB TYR A 38 9.481 -8.139 -4.501 1.00 64.05 C ATOM 650 CG TYR A 38 10.418 -8.749 -5.531 1.00 14.13 C ATOM 651 CD1 TYR A 38 10.053 -8.832 -6.886 1.00 62.15 C ATOM 652 CD2 TYR A 38 11.684 -9.213 -5.125 1.00 11.30 C ATOM 653 CE1 TYR A 38 10.957 -9.345 -7.833 1.00 33.32 C ATOM 654 CE2 TYR A 38 12.606 -9.690 -6.070 1.00 74.45 C ATOM 655 CZ TYR A 38 12.256 -9.724 -7.436 1.00 42.13 C ATOM 656 OH TYR A 38 13.161 -10.118 -8.372 1.00 55.24 O ATOM 0 H TYR A 38 8.112 -7.843 -2.533 1.00 35.42 H new ATOM 0 HA TYR A 38 7.487 -8.193 -5.276 1.00 11.34 H new ATOM 0 HB2 TYR A 38 9.446 -7.063 -4.674 1.00 64.05 H new ATOM 0 HB3 TYR A 38 9.921 -8.290 -3.515 1.00 64.05 H new ATOM 0 HD1 TYR A 38 9.075 -8.500 -7.201 1.00 62.15 H new ATOM 0 HD2 TYR A 38 11.948 -9.202 -4.078 1.00 11.30 H new ATOM 0 HE1 TYR A 38 10.656 -9.449 -8.865 1.00 33.32 H new ATOM 0 HE2 TYR A 38 13.581 -10.030 -5.752 1.00 74.45 H new ATOM 0 HH TYR A 38 14.008 -10.344 -7.933 1.00 55.24 H new ATOM 666 N LYS A 39 7.735 -10.596 -5.917 1.00 73.24 N ATOM 667 CA LYS A 39 7.615 -11.999 -6.296 1.00 75.44 C ATOM 668 C LYS A 39 8.845 -12.850 -5.987 1.00 0.13 C ATOM 669 O LYS A 39 8.701 -14.070 -5.941 1.00 15.22 O ATOM 670 CB LYS A 39 7.205 -12.129 -7.773 1.00 73.11 C ATOM 671 CG LYS A 39 8.261 -11.654 -8.787 1.00 44.54 C ATOM 672 CD LYS A 39 7.963 -12.095 -10.231 1.00 74.23 C ATOM 673 CE LYS A 39 6.959 -11.216 -10.996 1.00 21.44 C ATOM 674 NZ LYS A 39 5.569 -11.306 -10.499 1.00 72.14 N ATOM 0 H LYS A 39 7.638 -9.957 -6.706 1.00 73.24 H new ATOM 0 HA LYS A 39 6.826 -12.406 -5.664 1.00 75.44 H new ATOM 0 HB2 LYS A 39 6.970 -13.173 -7.978 1.00 73.11 H new ATOM 0 HB3 LYS A 39 6.289 -11.559 -7.931 1.00 73.11 H new ATOM 0 HG2 LYS A 39 8.324 -10.566 -8.753 1.00 44.54 H new ATOM 0 HG3 LYS A 39 9.237 -12.039 -8.491 1.00 44.54 H new ATOM 0 HD2 LYS A 39 8.900 -12.115 -10.787 1.00 74.23 H new ATOM 0 HD3 LYS A 39 7.583 -13.116 -10.210 1.00 74.23 H new ATOM 0 HE2 LYS A 39 7.286 -10.178 -10.939 1.00 21.44 H new ATOM 0 HE3 LYS A 39 6.975 -11.498 -12.049 1.00 21.44 H new ATOM 0 HZ1 LYS A 39 4.911 -11.042 -11.259 1.00 72.14 H new ATOM 0 HZ2 LYS A 39 5.372 -12.280 -10.194 1.00 72.14 H new ATOM 0 HZ3 LYS A 39 5.446 -10.659 -9.694 1.00 72.14 H new ATOM 688 N GLY A 40 10.015 -12.237 -5.808 1.00 64.13 N ATOM 689 CA GLY A 40 11.268 -12.916 -5.499 1.00 75.35 C ATOM 690 C GLY A 40 11.741 -12.638 -4.073 1.00 1.23 C ATOM 691 O GLY A 40 12.867 -13.005 -3.726 1.00 42.45 O ATOM 0 H GLY A 40 10.117 -11.224 -5.877 1.00 64.13 H new ATOM 0 HA2 GLY A 40 11.140 -13.990 -5.634 1.00 75.35 H new ATOM 0 HA3 GLY A 40 12.036 -12.596 -6.203 1.00 75.35 H new ATOM 695 N GLU A 41 10.937 -11.951 -3.257 1.00 11.54 N ATOM 696 CA GLU A 41 11.246 -11.608 -1.879 1.00 33.20 C ATOM 697 C GLU A 41 11.117 -12.881 -1.051 1.00 11.50 C ATOM 698 O GLU A 41 10.010 -13.325 -0.731 1.00 0.54 O ATOM 699 CB GLU A 41 10.286 -10.513 -1.429 1.00 21.22 C ATOM 700 CG GLU A 41 10.583 -9.925 -0.049 1.00 1.10 C ATOM 701 CD GLU A 41 10.040 -8.496 0.104 1.00 62.21 C ATOM 702 OE1 GLU A 41 8.976 -8.204 -0.472 1.00 44.44 O ATOM 703 OE2 GLU A 41 10.718 -7.692 0.782 1.00 52.25 O ATOM 0 H GLU A 41 10.023 -11.610 -3.554 1.00 11.54 H new ATOM 0 HA GLU A 41 12.259 -11.223 -1.759 1.00 33.20 H new ATOM 0 HB2 GLU A 41 10.306 -9.708 -2.163 1.00 21.22 H new ATOM 0 HB3 GLU A 41 9.273 -10.916 -1.426 1.00 21.22 H new ATOM 0 HG2 GLU A 41 10.143 -10.563 0.718 1.00 1.10 H new ATOM 0 HG3 GLU A 41 11.660 -9.922 0.118 1.00 1.10 H new ATOM 710 N LYS A 42 12.248 -13.504 -0.728 1.00 74.14 N ATOM 711 CA LYS A 42 12.280 -14.749 0.039 1.00 15.50 C ATOM 712 C LYS A 42 12.781 -14.521 1.448 1.00 15.41 C ATOM 713 O LYS A 42 12.338 -15.229 2.348 1.00 0.54 O ATOM 714 CB LYS A 42 13.146 -15.788 -0.691 1.00 11.10 C ATOM 715 CG LYS A 42 12.577 -16.226 -2.051 1.00 35.41 C ATOM 716 CD LYS A 42 11.235 -16.980 -1.960 1.00 52.12 C ATOM 717 CE LYS A 42 10.664 -17.268 -3.357 1.00 34.24 C ATOM 718 NZ LYS A 42 9.333 -17.915 -3.317 1.00 2.42 N ATOM 0 H LYS A 42 13.171 -13.159 -0.991 1.00 74.14 H new ATOM 0 HA LYS A 42 11.262 -15.129 0.118 1.00 15.50 H new ATOM 0 HB2 LYS A 42 14.143 -15.375 -0.841 1.00 11.10 H new ATOM 0 HB3 LYS A 42 13.257 -16.666 -0.055 1.00 11.10 H new ATOM 0 HG2 LYS A 42 12.444 -15.344 -2.678 1.00 35.41 H new ATOM 0 HG3 LYS A 42 13.307 -16.864 -2.549 1.00 35.41 H new ATOM 0 HD2 LYS A 42 11.377 -17.917 -1.422 1.00 52.12 H new ATOM 0 HD3 LYS A 42 10.521 -16.389 -1.387 1.00 52.12 H new ATOM 0 HE2 LYS A 42 10.591 -16.333 -3.913 1.00 34.24 H new ATOM 0 HE3 LYS A 42 11.357 -17.909 -3.901 1.00 34.24 H new ATOM 0 HZ1 LYS A 42 9.000 -18.084 -4.288 1.00 2.42 H new ATOM 0 HZ2 LYS A 42 9.403 -18.821 -2.812 1.00 2.42 H new ATOM 0 HZ3 LYS A 42 8.660 -17.294 -2.823 1.00 2.42 H new ATOM 732 N GLN A 43 13.677 -13.553 1.630 1.00 61.05 N ATOM 733 CA GLN A 43 14.228 -13.231 2.926 1.00 13.13 C ATOM 734 C GLN A 43 13.174 -12.496 3.742 1.00 12.13 C ATOM 735 O GLN A 43 12.853 -12.905 4.859 1.00 13.32 O ATOM 736 CB GLN A 43 15.515 -12.380 2.802 1.00 53.31 C ATOM 737 CG GLN A 43 15.527 -11.224 1.780 1.00 74.03 C ATOM 738 CD GLN A 43 15.872 -11.590 0.328 1.00 23.03 C ATOM 739 OE1 GLN A 43 15.894 -10.723 -0.533 1.00 54.33 O ATOM 740 NE2 GLN A 43 16.039 -12.853 -0.032 1.00 51.34 N ATOM 0 H GLN A 43 14.037 -12.972 0.873 1.00 61.05 H new ATOM 0 HA GLN A 43 14.505 -14.157 3.430 1.00 13.13 H new ATOM 0 HB2 GLN A 43 15.732 -11.959 3.784 1.00 53.31 H new ATOM 0 HB3 GLN A 43 16.337 -13.052 2.555 1.00 53.31 H new ATOM 0 HG2 GLN A 43 14.544 -10.753 1.788 1.00 74.03 H new ATOM 0 HG3 GLN A 43 16.242 -10.475 2.121 1.00 74.03 H new ATOM 0 HE21 GLN A 43 16.024 -13.590 0.673 1.00 51.34 H new ATOM 0 HE22 GLN A 43 16.183 -13.089 -1.014 1.00 51.34 H new ATOM 749 N LEU A 44 12.651 -11.401 3.184 1.00 62.04 N ATOM 750 CA LEU A 44 11.676 -10.579 3.871 1.00 13.43 C ATOM 751 C LEU A 44 10.292 -11.234 3.923 1.00 52.35 C ATOM 752 O LEU A 44 9.943 -11.980 3.004 1.00 3.23 O ATOM 753 CB LEU A 44 11.661 -9.150 3.295 1.00 34.23 C ATOM 754 CG LEU A 44 12.786 -8.257 3.843 1.00 15.33 C ATOM 755 CD1 LEU A 44 12.640 -6.843 3.282 1.00 23.14 C ATOM 756 CD2 LEU A 44 12.818 -8.134 5.371 1.00 72.12 C ATOM 0 H LEU A 44 12.895 -11.069 2.251 1.00 62.04 H new ATOM 0 HA LEU A 44 11.983 -10.493 4.913 1.00 13.43 H new ATOM 0 HB2 LEU A 44 11.746 -9.203 2.210 1.00 34.23 H new ATOM 0 HB3 LEU A 44 10.699 -8.687 3.517 1.00 34.23 H new ATOM 0 HG LEU A 44 13.710 -8.743 3.530 1.00 15.33 H new ATOM 0 HD11 LEU A 44 13.439 -6.212 3.672 1.00 23.14 H new ATOM 0 HD12 LEU A 44 12.702 -6.875 2.194 1.00 23.14 H new ATOM 0 HD13 LEU A 44 11.675 -6.432 3.579 1.00 23.14 H new ATOM 0 HD21 LEU A 44 13.643 -7.486 5.667 1.00 72.12 H new ATOM 0 HD22 LEU A 44 11.878 -7.708 5.721 1.00 72.12 H new ATOM 0 HD23 LEU A 44 12.956 -9.121 5.813 1.00 72.12 H new ATOM 768 N PRO A 45 9.515 -10.988 4.993 1.00 1.01 N ATOM 769 CA PRO A 45 8.185 -11.552 5.175 1.00 22.40 C ATOM 770 C PRO A 45 7.138 -10.829 4.324 1.00 43.43 C ATOM 771 O PRO A 45 7.410 -9.786 3.718 1.00 12.42 O ATOM 772 CB PRO A 45 7.896 -11.406 6.672 1.00 54.45 C ATOM 773 CG PRO A 45 8.694 -10.180 7.093 1.00 24.51 C ATOM 774 CD PRO A 45 9.858 -10.121 6.111 1.00 20.34 C ATOM 0 HA PRO A 45 8.141 -12.592 4.852 1.00 22.40 H new ATOM 0 HB2 PRO A 45 6.831 -11.271 6.860 1.00 54.45 H new ATOM 0 HB3 PRO A 45 8.207 -12.292 7.225 1.00 54.45 H new ATOM 0 HG2 PRO A 45 8.087 -9.276 7.043 1.00 24.51 H new ATOM 0 HG3 PRO A 45 9.047 -10.271 8.120 1.00 24.51 H new ATOM 0 HD2 PRO A 45 10.024 -9.099 5.770 1.00 20.34 H new ATOM 0 HD3 PRO A 45 10.781 -10.452 6.587 1.00 20.34 H new ATOM 782 N VAL A 46 5.940 -11.409 4.243 1.00 21.44 N ATOM 783 CA VAL A 46 4.832 -10.841 3.488 1.00 62.04 C ATOM 784 C VAL A 46 4.080 -9.872 4.403 1.00 15.24 C ATOM 785 O VAL A 46 3.895 -10.141 5.592 1.00 22.21 O ATOM 786 CB VAL A 46 3.963 -11.970 2.892 1.00 20.44 C ATOM 787 CG1 VAL A 46 3.272 -12.855 3.934 1.00 21.42 C ATOM 788 CG2 VAL A 46 2.927 -11.430 1.900 1.00 55.15 C ATOM 0 H VAL A 46 5.714 -12.291 4.703 1.00 21.44 H new ATOM 0 HA VAL A 46 5.177 -10.267 2.628 1.00 62.04 H new ATOM 0 HB VAL A 46 4.673 -12.607 2.365 1.00 20.44 H new ATOM 0 HG11 VAL A 46 2.683 -13.621 3.428 1.00 21.42 H new ATOM 0 HG12 VAL A 46 4.024 -13.332 4.563 1.00 21.42 H new ATOM 0 HG13 VAL A 46 2.616 -12.243 4.553 1.00 21.42 H new ATOM 0 HG21 VAL A 46 2.337 -12.257 1.504 1.00 55.15 H new ATOM 0 HG22 VAL A 46 2.269 -10.725 2.409 1.00 55.15 H new ATOM 0 HG23 VAL A 46 3.437 -10.924 1.081 1.00 55.15 H new ATOM 798 N LEU A 47 3.644 -8.739 3.855 1.00 73.42 N ATOM 799 CA LEU A 47 2.909 -7.728 4.595 1.00 14.03 C ATOM 800 C LEU A 47 1.541 -8.315 4.969 1.00 43.44 C ATOM 801 O LEU A 47 0.899 -8.960 4.139 1.00 31.20 O ATOM 802 CB LEU A 47 2.761 -6.458 3.728 1.00 51.33 C ATOM 803 CG LEU A 47 3.051 -5.125 4.440 1.00 35.42 C ATOM 804 CD1 LEU A 47 2.363 -4.981 5.802 1.00 1.42 C ATOM 805 CD2 LEU A 47 4.557 -4.919 4.605 1.00 55.25 C ATOM 0 H LEU A 47 3.795 -8.500 2.875 1.00 73.42 H new ATOM 0 HA LEU A 47 3.438 -7.446 5.505 1.00 14.03 H new ATOM 0 HB2 LEU A 47 3.431 -6.545 2.872 1.00 51.33 H new ATOM 0 HB3 LEU A 47 1.745 -6.425 3.335 1.00 51.33 H new ATOM 0 HG LEU A 47 2.631 -4.354 3.794 1.00 35.42 H new ATOM 0 HD11 LEU A 47 2.618 -4.015 6.238 1.00 1.42 H new ATOM 0 HD12 LEU A 47 1.283 -5.047 5.673 1.00 1.42 H new ATOM 0 HD13 LEU A 47 2.698 -5.778 6.465 1.00 1.42 H new ATOM 0 HD21 LEU A 47 4.741 -3.971 5.110 1.00 55.25 H new ATOM 0 HD22 LEU A 47 4.973 -5.733 5.198 1.00 55.25 H new ATOM 0 HD23 LEU A 47 5.032 -4.905 3.624 1.00 55.25 H new ATOM 817 N ASP A 48 1.056 -8.031 6.179 1.00 55.44 N ATOM 818 CA ASP A 48 -0.231 -8.528 6.687 1.00 11.33 C ATOM 819 C ASP A 48 -1.430 -8.132 5.835 1.00 51.05 C ATOM 820 O ASP A 48 -2.442 -8.834 5.834 1.00 15.31 O ATOM 821 CB ASP A 48 -0.495 -7.991 8.102 1.00 22.52 C ATOM 822 CG ASP A 48 0.200 -8.810 9.174 1.00 20.50 C ATOM 823 OD1 ASP A 48 -0.042 -10.035 9.254 1.00 15.33 O ATOM 824 OD2 ASP A 48 1.024 -8.230 9.916 1.00 32.14 O ATOM 0 H ASP A 48 1.552 -7.440 6.847 1.00 55.44 H new ATOM 0 HA ASP A 48 -0.135 -9.614 6.668 1.00 11.33 H new ATOM 0 HB2 ASP A 48 -0.157 -6.957 8.163 1.00 22.52 H new ATOM 0 HB3 ASP A 48 -1.568 -7.987 8.291 1.00 22.52 H new ATOM 829 N LYS A 49 -1.347 -6.987 5.156 1.00 21.12 N ATOM 830 CA LYS A 49 -2.399 -6.448 4.303 1.00 64.14 C ATOM 831 C LYS A 49 -1.765 -5.867 3.048 1.00 62.11 C ATOM 832 O LYS A 49 -0.537 -5.844 2.926 1.00 63.44 O ATOM 833 CB LYS A 49 -3.218 -5.400 5.066 1.00 33.53 C ATOM 834 CG LYS A 49 -3.852 -5.980 6.341 1.00 63.21 C ATOM 835 CD LYS A 49 -4.856 -5.003 6.938 1.00 3.20 C ATOM 836 CE LYS A 49 -6.176 -5.044 6.165 1.00 23.50 C ATOM 837 NZ LYS A 49 -7.082 -3.962 6.576 1.00 62.22 N ATOM 0 H LYS A 49 -0.518 -6.393 5.188 1.00 21.12 H new ATOM 0 HA LYS A 49 -3.087 -7.240 4.009 1.00 64.14 H new ATOM 0 HB2 LYS A 49 -2.575 -4.560 5.331 1.00 33.53 H new ATOM 0 HB3 LYS A 49 -4.002 -5.010 4.417 1.00 33.53 H new ATOM 0 HG2 LYS A 49 -4.348 -6.922 6.109 1.00 63.21 H new ATOM 0 HG3 LYS A 49 -3.074 -6.201 7.072 1.00 63.21 H new ATOM 0 HD2 LYS A 49 -5.034 -5.251 7.984 1.00 3.20 H new ATOM 0 HD3 LYS A 49 -4.446 -3.993 6.915 1.00 3.20 H new ATOM 0 HE2 LYS A 49 -5.975 -4.964 5.097 1.00 23.50 H new ATOM 0 HE3 LYS A 49 -6.662 -6.006 6.326 1.00 23.50 H new ATOM 0 HZ1 LYS A 49 -7.972 -4.033 6.043 1.00 62.22 H new ATOM 0 HZ2 LYS A 49 -7.281 -4.043 7.594 1.00 62.22 H new ATOM 0 HZ3 LYS A 49 -6.635 -3.043 6.383 1.00 62.22 H new ATOM 851 N THR A 50 -2.575 -5.343 2.137 1.00 72.22 N ATOM 852 CA THR A 50 -2.110 -4.777 0.883 1.00 31.42 C ATOM 853 C THR A 50 -2.632 -3.354 0.656 1.00 31.44 C ATOM 854 O THR A 50 -1.875 -2.547 0.126 1.00 41.45 O ATOM 855 CB THR A 50 -2.498 -5.753 -0.247 1.00 24.23 C ATOM 856 OG1 THR A 50 -2.172 -7.098 0.075 1.00 55.12 O ATOM 857 CG2 THR A 50 -1.820 -5.436 -1.572 1.00 74.43 C ATOM 0 H THR A 50 -3.587 -5.300 2.253 1.00 72.22 H new ATOM 0 HA THR A 50 -1.026 -4.665 0.903 1.00 31.42 H new ATOM 0 HB THR A 50 -3.576 -5.630 -0.350 1.00 24.23 H new ATOM 0 HG1 THR A 50 -2.435 -7.684 -0.665 1.00 55.12 H new ATOM 0 HG21 THR A 50 -2.135 -6.159 -2.324 1.00 74.43 H new ATOM 0 HG22 THR A 50 -2.100 -4.433 -1.893 1.00 74.43 H new ATOM 0 HG23 THR A 50 -0.738 -5.489 -1.449 1.00 74.43 H new ATOM 865 N LYS A 51 -3.866 -3.009 1.048 1.00 52.44 N ATOM 866 CA LYS A 51 -4.415 -1.662 0.842 1.00 51.35 C ATOM 867 C LYS A 51 -4.034 -0.755 2.016 1.00 14.10 C ATOM 868 O LYS A 51 -4.428 -1.036 3.143 1.00 61.01 O ATOM 869 CB LYS A 51 -5.947 -1.728 0.624 1.00 73.12 C ATOM 870 CG LYS A 51 -6.370 -2.766 -0.435 1.00 11.12 C ATOM 871 CD LYS A 51 -7.749 -2.543 -1.073 1.00 74.21 C ATOM 872 CE LYS A 51 -8.910 -2.728 -0.098 1.00 34.23 C ATOM 873 NZ LYS A 51 -10.227 -2.685 -0.771 1.00 42.42 N ATOM 0 H LYS A 51 -4.508 -3.651 1.514 1.00 52.44 H new ATOM 0 HA LYS A 51 -3.983 -1.229 -0.060 1.00 51.35 H new ATOM 0 HB2 LYS A 51 -6.431 -1.967 1.571 1.00 73.12 H new ATOM 0 HB3 LYS A 51 -6.306 -0.744 0.322 1.00 73.12 H new ATOM 0 HG2 LYS A 51 -5.621 -2.776 -1.227 1.00 11.12 H new ATOM 0 HG3 LYS A 51 -6.359 -3.754 0.026 1.00 11.12 H new ATOM 0 HD2 LYS A 51 -7.790 -1.536 -1.487 1.00 74.21 H new ATOM 0 HD3 LYS A 51 -7.871 -3.235 -1.906 1.00 74.21 H new ATOM 0 HE2 LYS A 51 -8.800 -3.682 0.417 1.00 34.23 H new ATOM 0 HE3 LYS A 51 -8.869 -1.949 0.663 1.00 34.23 H new ATOM 0 HZ1 LYS A 51 -10.980 -2.849 -0.072 1.00 42.42 H new ATOM 0 HZ2 LYS A 51 -10.361 -1.753 -1.212 1.00 42.42 H new ATOM 0 HZ3 LYS A 51 -10.267 -3.423 -1.503 1.00 42.42 H new ATOM 887 N PHE A 52 -3.277 0.324 1.801 1.00 0.11 N ATOM 888 CA PHE A 52 -2.855 1.270 2.841 1.00 55.20 C ATOM 889 C PHE A 52 -3.451 2.663 2.589 1.00 1.21 C ATOM 890 O PHE A 52 -3.764 3.013 1.448 1.00 4.13 O ATOM 891 CB PHE A 52 -1.318 1.353 2.893 1.00 75.10 C ATOM 892 CG PHE A 52 -0.648 0.246 3.682 1.00 0.05 C ATOM 893 CD1 PHE A 52 -0.681 -1.083 3.219 1.00 61.04 C ATOM 894 CD2 PHE A 52 0.023 0.549 4.883 1.00 22.12 C ATOM 895 CE1 PHE A 52 -0.088 -2.111 3.971 1.00 0.20 C ATOM 896 CE2 PHE A 52 0.617 -0.478 5.637 1.00 33.52 C ATOM 897 CZ PHE A 52 0.546 -1.807 5.187 1.00 22.54 C ATOM 0 H PHE A 52 -2.931 0.572 0.874 1.00 0.11 H new ATOM 0 HA PHE A 52 -3.224 0.908 3.801 1.00 55.20 H new ATOM 0 HB2 PHE A 52 -0.933 1.338 1.873 1.00 75.10 H new ATOM 0 HB3 PHE A 52 -1.034 2.312 3.327 1.00 75.10 H new ATOM 0 HD1 PHE A 52 -1.164 -1.313 2.281 1.00 61.04 H new ATOM 0 HD2 PHE A 52 0.081 1.572 5.225 1.00 22.12 H new ATOM 0 HE1 PHE A 52 -0.119 -3.130 3.616 1.00 0.20 H new ATOM 0 HE2 PHE A 52 1.127 -0.246 6.560 1.00 33.52 H new ATOM 0 HZ PHE A 52 0.981 -2.599 5.779 1.00 22.54 H new ATOM 907 N LEU A 53 -3.597 3.466 3.653 1.00 54.14 N ATOM 908 CA LEU A 53 -4.129 4.839 3.631 1.00 61.54 C ATOM 909 C LEU A 53 -3.058 5.720 4.243 1.00 73.51 C ATOM 910 O LEU A 53 -2.883 5.737 5.466 1.00 12.13 O ATOM 911 CB LEU A 53 -5.447 4.983 4.419 1.00 43.24 C ATOM 912 CG LEU A 53 -6.665 4.434 3.689 1.00 41.23 C ATOM 913 CD1 LEU A 53 -7.874 4.369 4.627 1.00 51.20 C ATOM 914 CD2 LEU A 53 -7.068 5.113 2.385 1.00 62.24 C ATOM 0 H LEU A 53 -3.337 3.165 4.592 1.00 54.14 H new ATOM 0 HA LEU A 53 -4.364 5.123 2.605 1.00 61.54 H new ATOM 0 HB2 LEU A 53 -5.346 4.468 5.375 1.00 43.24 H new ATOM 0 HB3 LEU A 53 -5.613 6.037 4.641 1.00 43.24 H new ATOM 0 HG LEU A 53 -6.335 3.442 3.382 1.00 41.23 H new ATOM 0 HD11 LEU A 53 -8.734 3.974 4.086 1.00 51.20 H new ATOM 0 HD12 LEU A 53 -7.646 3.717 5.470 1.00 51.20 H new ATOM 0 HD13 LEU A 53 -8.104 5.369 4.993 1.00 51.20 H new ATOM 0 HD21 LEU A 53 -7.949 4.620 1.975 1.00 62.24 H new ATOM 0 HD22 LEU A 53 -7.295 6.162 2.576 1.00 62.24 H new ATOM 0 HD23 LEU A 53 -6.248 5.044 1.670 1.00 62.24 H new ATOM 926 N VAL A 54 -2.333 6.455 3.412 1.00 75.23 N ATOM 927 CA VAL A 54 -1.256 7.306 3.918 1.00 42.03 C ATOM 928 C VAL A 54 -1.676 8.776 3.832 1.00 71.53 C ATOM 929 O VAL A 54 -2.359 9.130 2.874 1.00 24.32 O ATOM 930 CB VAL A 54 0.039 6.964 3.158 1.00 51.21 C ATOM 931 CG1 VAL A 54 0.257 5.441 3.040 1.00 63.40 C ATOM 932 CG2 VAL A 54 0.033 7.534 1.760 1.00 12.41 C ATOM 0 H VAL A 54 -2.464 6.483 2.401 1.00 75.23 H new ATOM 0 HA VAL A 54 -1.056 7.122 4.974 1.00 42.03 H new ATOM 0 HB VAL A 54 0.846 7.408 3.741 1.00 51.21 H new ATOM 0 HG11 VAL A 54 1.182 5.247 2.497 1.00 63.40 H new ATOM 0 HG12 VAL A 54 0.323 5.005 4.037 1.00 63.40 H new ATOM 0 HG13 VAL A 54 -0.580 4.994 2.503 1.00 63.40 H new ATOM 0 HG21 VAL A 54 0.963 7.271 1.256 1.00 12.41 H new ATOM 0 HG22 VAL A 54 -0.810 7.124 1.203 1.00 12.41 H new ATOM 0 HG23 VAL A 54 -0.059 8.619 1.810 1.00 12.41 H new ATOM 942 N PRO A 55 -1.386 9.624 4.830 1.00 21.13 N ATOM 943 CA PRO A 55 -1.754 11.025 4.765 1.00 21.45 C ATOM 944 C PRO A 55 -0.816 11.708 3.775 1.00 60.11 C ATOM 945 O PRO A 55 0.396 11.487 3.807 1.00 64.33 O ATOM 946 CB PRO A 55 -1.613 11.553 6.192 1.00 0.33 C ATOM 947 CG PRO A 55 -0.489 10.693 6.761 1.00 35.55 C ATOM 948 CD PRO A 55 -0.614 9.361 6.030 1.00 61.12 C ATOM 0 HA PRO A 55 -2.770 11.208 4.416 1.00 21.45 H new ATOM 0 HB2 PRO A 55 -1.359 12.613 6.208 1.00 0.33 H new ATOM 0 HB3 PRO A 55 -2.537 11.438 6.759 1.00 0.33 H new ATOM 0 HG2 PRO A 55 0.485 11.150 6.588 1.00 35.55 H new ATOM 0 HG3 PRO A 55 -0.595 10.565 7.838 1.00 35.55 H new ATOM 0 HD2 PRO A 55 0.369 8.961 5.780 1.00 61.12 H new ATOM 0 HD3 PRO A 55 -1.110 8.619 6.656 1.00 61.12 H new ATOM 956 N ASP A 56 -1.361 12.592 2.944 1.00 31.24 N ATOM 957 CA ASP A 56 -0.590 13.311 1.936 1.00 53.43 C ATOM 958 C ASP A 56 0.504 14.191 2.548 1.00 33.23 C ATOM 959 O ASP A 56 1.485 14.458 1.860 1.00 53.43 O ATOM 960 CB ASP A 56 -1.516 14.140 1.029 1.00 31.21 C ATOM 961 CG ASP A 56 -2.319 15.214 1.764 1.00 52.52 C ATOM 962 OD1 ASP A 56 -3.366 14.855 2.357 1.00 32.22 O ATOM 963 OD2 ASP A 56 -1.940 16.406 1.728 1.00 21.45 O ATOM 0 H ASP A 56 -2.353 12.830 2.951 1.00 31.24 H new ATOM 0 HA ASP A 56 -0.086 12.559 1.329 1.00 53.43 H new ATOM 0 HB2 ASP A 56 -0.915 14.618 0.255 1.00 31.21 H new ATOM 0 HB3 ASP A 56 -2.209 13.467 0.524 1.00 31.21 H new ATOM 968 N HIS A 57 0.411 14.562 3.832 1.00 63.53 N ATOM 969 CA HIS A 57 1.406 15.393 4.515 1.00 11.34 C ATOM 970 C HIS A 57 2.694 14.651 4.909 1.00 44.23 C ATOM 971 O HIS A 57 3.578 15.258 5.523 1.00 35.54 O ATOM 972 CB HIS A 57 0.759 16.066 5.747 1.00 74.32 C ATOM 973 CG HIS A 57 0.703 15.282 7.049 1.00 40.24 C ATOM 974 ND1 HIS A 57 0.792 13.916 7.222 1.00 40.42 N ATOM 975 CD2 HIS A 57 0.623 15.841 8.298 1.00 41.41 C ATOM 976 CE1 HIS A 57 0.772 13.667 8.544 1.00 42.00 C ATOM 977 NE2 HIS A 57 0.694 14.810 9.247 1.00 72.10 N ATOM 0 H HIS A 57 -0.368 14.289 4.431 1.00 63.53 H new ATOM 0 HA HIS A 57 1.725 16.146 3.795 1.00 11.34 H new ATOM 0 HB2 HIS A 57 1.297 16.994 5.940 1.00 74.32 H new ATOM 0 HB3 HIS A 57 -0.262 16.339 5.479 1.00 74.32 H new ATOM 0 HD2 HIS A 57 0.523 16.894 8.514 1.00 41.41 H new ATOM 0 HE1 HIS A 57 0.813 12.681 8.982 1.00 42.00 H new ATOM 0 HE2 HIS A 57 0.688 14.908 10.262 1.00 72.10 H new ATOM 985 N VAL A 58 2.793 13.337 4.663 1.00 74.14 N ATOM 986 CA VAL A 58 3.975 12.563 5.036 1.00 51.34 C ATOM 987 C VAL A 58 4.956 12.322 3.879 1.00 42.10 C ATOM 988 O VAL A 58 4.684 12.543 2.699 1.00 71.11 O ATOM 989 CB VAL A 58 3.544 11.327 5.858 1.00 13.32 C ATOM 990 CG1 VAL A 58 3.313 10.046 5.049 1.00 53.24 C ATOM 991 CG2 VAL A 58 4.533 11.067 7.001 1.00 64.43 C ATOM 0 H VAL A 58 2.063 12.791 4.205 1.00 74.14 H new ATOM 0 HA VAL A 58 4.601 13.158 5.701 1.00 51.34 H new ATOM 0 HB VAL A 58 2.564 11.588 6.257 1.00 13.32 H new ATOM 0 HG11 VAL A 58 3.015 9.241 5.720 1.00 53.24 H new ATOM 0 HG12 VAL A 58 2.526 10.217 4.314 1.00 53.24 H new ATOM 0 HG13 VAL A 58 4.234 9.768 4.536 1.00 53.24 H new ATOM 0 HG21 VAL A 58 4.212 10.193 7.568 1.00 64.43 H new ATOM 0 HG22 VAL A 58 5.526 10.888 6.589 1.00 64.43 H new ATOM 0 HG23 VAL A 58 4.564 11.935 7.659 1.00 64.43 H new ATOM 1001 N ASN A 59 6.129 11.830 4.255 1.00 31.54 N ATOM 1002 CA ASN A 59 7.285 11.494 3.448 1.00 0.12 C ATOM 1003 C ASN A 59 7.573 10.003 3.551 1.00 40.53 C ATOM 1004 O ASN A 59 7.208 9.315 4.514 1.00 35.24 O ATOM 1005 CB ASN A 59 8.504 12.279 3.954 1.00 73.24 C ATOM 1006 CG ASN A 59 8.618 12.203 5.471 1.00 52.30 C ATOM 1007 OD1 ASN A 59 9.336 11.253 6.026 1.00 73.14 O flip ATOM 1008 ND2 ASN A 59 7.987 12.975 6.182 1.00 15.43 N flip ATOM 0 H ASN A 59 6.308 11.637 5.240 1.00 31.54 H new ATOM 0 HA ASN A 59 7.083 11.752 2.408 1.00 0.12 H new ATOM 0 HB2 ASN A 59 9.411 11.881 3.498 1.00 73.24 H new ATOM 0 HB3 ASN A 59 8.423 13.321 3.645 1.00 73.24 H new ATOM 0 HD21 ASN A 59 7.427 13.715 5.759 1.00 15.43 H new ATOM 0 HD22 ASN A 59 8.021 12.878 7.197 1.00 15.43 H new ATOM 1015 N MET A 60 8.336 9.523 2.574 1.00 33.24 N ATOM 1016 CA MET A 60 8.678 8.118 2.518 1.00 22.43 C ATOM 1017 C MET A 60 9.501 7.653 3.705 1.00 2.43 C ATOM 1018 O MET A 60 9.275 6.531 4.136 1.00 55.43 O ATOM 1019 CB MET A 60 9.335 7.763 1.177 1.00 60.04 C ATOM 1020 CG MET A 60 8.447 8.023 -0.044 1.00 42.13 C ATOM 1021 SD MET A 60 6.952 7.002 -0.114 1.00 1.43 S ATOM 1022 CE MET A 60 7.237 6.144 -1.687 1.00 44.50 C ATOM 0 H MET A 60 8.724 10.087 1.818 1.00 33.24 H new ATOM 0 HA MET A 60 7.741 7.565 2.585 1.00 22.43 H new ATOM 0 HB2 MET A 60 10.255 8.338 1.072 1.00 60.04 H new ATOM 0 HB3 MET A 60 9.617 6.710 1.190 1.00 60.04 H new ATOM 0 HG2 MET A 60 8.155 9.073 -0.049 1.00 42.13 H new ATOM 0 HG3 MET A 60 9.033 7.851 -0.947 1.00 42.13 H new ATOM 0 HE1 MET A 60 6.816 5.140 -1.635 1.00 44.50 H new ATOM 0 HE2 MET A 60 6.758 6.697 -2.495 1.00 44.50 H new ATOM 0 HE3 MET A 60 8.308 6.079 -1.877 1.00 44.50 H new ATOM 1032 N SER A 61 10.366 8.475 4.311 1.00 22.15 N ATOM 1033 CA SER A 61 11.147 8.031 5.474 1.00 51.34 C ATOM 1034 C SER A 61 10.201 7.478 6.560 1.00 71.34 C ATOM 1035 O SER A 61 10.445 6.434 7.169 1.00 53.12 O ATOM 1036 CB SER A 61 12.051 9.176 5.976 1.00 33.44 C ATOM 1037 OG SER A 61 13.083 8.729 6.838 1.00 43.32 O ATOM 0 H SER A 61 10.542 9.437 4.022 1.00 22.15 H new ATOM 0 HA SER A 61 11.812 7.215 5.191 1.00 51.34 H new ATOM 0 HB2 SER A 61 12.495 9.683 5.119 1.00 33.44 H new ATOM 0 HB3 SER A 61 11.440 9.911 6.500 1.00 33.44 H new ATOM 0 HG SER A 61 13.625 9.494 7.124 1.00 43.32 H new ATOM 1043 N GLU A 62 9.101 8.189 6.796 1.00 61.30 N ATOM 1044 CA GLU A 62 8.085 7.830 7.761 1.00 20.55 C ATOM 1045 C GLU A 62 7.322 6.598 7.305 1.00 42.44 C ATOM 1046 O GLU A 62 7.188 5.661 8.091 1.00 1.42 O ATOM 1047 CB GLU A 62 7.118 8.997 7.898 1.00 23.54 C ATOM 1048 CG GLU A 62 7.721 10.133 8.706 1.00 61.44 C ATOM 1049 CD GLU A 62 7.516 9.891 10.206 1.00 32.51 C ATOM 1050 OE1 GLU A 62 8.206 9.035 10.806 1.00 4.42 O ATOM 1051 OE2 GLU A 62 6.614 10.519 10.816 1.00 64.23 O ATOM 0 H GLU A 62 8.893 9.057 6.301 1.00 61.30 H new ATOM 0 HA GLU A 62 8.559 7.608 8.717 1.00 20.55 H new ATOM 0 HB2 GLU A 62 6.843 9.360 6.908 1.00 23.54 H new ATOM 0 HB3 GLU A 62 6.201 8.656 8.378 1.00 23.54 H new ATOM 0 HG2 GLU A 62 8.785 10.218 8.487 1.00 61.44 H new ATOM 0 HG3 GLU A 62 7.260 11.078 8.417 1.00 61.44 H new ATOM 1058 N LEU A 63 6.810 6.583 6.064 1.00 4.23 N ATOM 1059 CA LEU A 63 6.070 5.412 5.575 1.00 71.14 C ATOM 1060 C LEU A 63 6.934 4.151 5.715 1.00 0.22 C ATOM 1061 O LEU A 63 6.453 3.136 6.229 1.00 2.03 O ATOM 1062 CB LEU A 63 5.546 5.676 4.160 1.00 11.32 C ATOM 1063 CG LEU A 63 4.911 4.485 3.411 1.00 63.41 C ATOM 1064 CD1 LEU A 63 3.892 3.627 4.177 1.00 34.53 C ATOM 1065 CD2 LEU A 63 4.170 5.049 2.195 1.00 3.51 C ATOM 0 H LEU A 63 6.892 7.349 5.396 1.00 4.23 H new ATOM 0 HA LEU A 63 5.185 5.231 6.185 1.00 71.14 H new ATOM 0 HB2 LEU A 63 4.805 6.473 4.217 1.00 11.32 H new ATOM 0 HB3 LEU A 63 6.373 6.052 3.558 1.00 11.32 H new ATOM 0 HG LEU A 63 5.749 3.822 3.195 1.00 63.41 H new ATOM 0 HD11 LEU A 63 3.529 2.829 3.530 1.00 34.53 H new ATOM 0 HD12 LEU A 63 4.369 3.193 5.056 1.00 34.53 H new ATOM 0 HD13 LEU A 63 3.054 4.250 4.490 1.00 34.53 H new ATOM 0 HD21 LEU A 63 3.707 4.233 1.640 1.00 3.51 H new ATOM 0 HD22 LEU A 63 3.399 5.744 2.529 1.00 3.51 H new ATOM 0 HD23 LEU A 63 4.875 5.572 1.550 1.00 3.51 H new ATOM 1077 N ILE A 64 8.216 4.242 5.349 1.00 21.11 N ATOM 1078 CA ILE A 64 9.197 3.170 5.449 1.00 73.20 C ATOM 1079 C ILE A 64 9.211 2.718 6.911 1.00 2.31 C ATOM 1080 O ILE A 64 9.023 1.536 7.200 1.00 13.34 O ATOM 1081 CB ILE A 64 10.587 3.674 4.966 1.00 71.40 C ATOM 1082 CG1 ILE A 64 10.697 3.809 3.432 1.00 40.24 C ATOM 1083 CG2 ILE A 64 11.748 2.825 5.510 1.00 55.04 C ATOM 1084 CD1 ILE A 64 10.591 2.510 2.640 1.00 44.34 C ATOM 0 H ILE A 64 8.609 5.100 4.961 1.00 21.11 H new ATOM 0 HA ILE A 64 8.943 2.323 4.811 1.00 73.20 H new ATOM 0 HB ILE A 64 10.673 4.677 5.385 1.00 71.40 H new ATOM 0 HG12 ILE A 64 9.914 4.486 3.089 1.00 40.24 H new ATOM 0 HG13 ILE A 64 11.651 4.279 3.195 1.00 40.24 H new ATOM 0 HG21 ILE A 64 12.693 3.222 5.141 1.00 55.04 H new ATOM 0 HG22 ILE A 64 11.742 2.856 6.600 1.00 55.04 H new ATOM 0 HG23 ILE A 64 11.633 1.794 5.176 1.00 55.04 H new ATOM 0 HD11 ILE A 64 10.682 2.725 1.575 1.00 44.34 H new ATOM 0 HD12 ILE A 64 11.390 1.833 2.943 1.00 44.34 H new ATOM 0 HD13 ILE A 64 9.626 2.043 2.835 1.00 44.34 H new ATOM 1096 N LYS A 65 9.414 3.639 7.860 1.00 53.00 N ATOM 1097 CA LYS A 65 9.435 3.293 9.277 1.00 61.30 C ATOM 1098 C LYS A 65 8.111 2.675 9.743 1.00 63.41 C ATOM 1099 O LYS A 65 8.150 1.805 10.609 1.00 12.14 O ATOM 1100 CB LYS A 65 9.917 4.494 10.117 1.00 41.12 C ATOM 1101 CG LYS A 65 9.238 4.678 11.483 1.00 62.34 C ATOM 1102 CD LYS A 65 7.942 5.486 11.326 1.00 0.02 C ATOM 1103 CE LYS A 65 7.288 5.855 12.642 1.00 14.23 C ATOM 1104 NZ LYS A 65 6.894 4.728 13.501 1.00 42.41 N ATOM 0 H LYS A 65 9.566 4.629 7.667 1.00 53.00 H new ATOM 0 HA LYS A 65 10.166 2.500 9.436 1.00 61.30 H new ATOM 0 HB2 LYS A 65 10.990 4.392 10.278 1.00 41.12 H new ATOM 0 HB3 LYS A 65 9.767 5.403 9.534 1.00 41.12 H new ATOM 0 HG2 LYS A 65 9.018 3.705 11.922 1.00 62.34 H new ATOM 0 HG3 LYS A 65 9.914 5.190 12.167 1.00 62.34 H new ATOM 0 HD2 LYS A 65 8.159 6.398 10.770 1.00 0.02 H new ATOM 0 HD3 LYS A 65 7.235 4.909 10.729 1.00 0.02 H new ATOM 0 HE2 LYS A 65 7.975 6.490 13.201 1.00 14.23 H new ATOM 0 HE3 LYS A 65 6.401 6.453 12.430 1.00 14.23 H new ATOM 0 HZ1 LYS A 65 6.458 5.092 14.372 1.00 42.41 H new ATOM 0 HZ2 LYS A 65 6.210 4.129 12.996 1.00 42.41 H new ATOM 0 HZ3 LYS A 65 7.735 4.166 13.743 1.00 42.41 H new ATOM 1118 N ILE A 66 6.948 3.076 9.227 1.00 44.13 N ATOM 1119 CA ILE A 66 5.664 2.517 9.648 1.00 11.42 C ATOM 1120 C ILE A 66 5.626 1.043 9.235 1.00 12.24 C ATOM 1121 O ILE A 66 5.275 0.176 10.044 1.00 33.45 O ATOM 1122 CB ILE A 66 4.497 3.407 9.140 1.00 54.00 C ATOM 1123 CG1 ILE A 66 4.109 4.488 10.189 1.00 40.03 C ATOM 1124 CG2 ILE A 66 3.254 2.583 8.770 1.00 73.50 C ATOM 1125 CD1 ILE A 66 4.387 5.930 9.747 1.00 11.13 C ATOM 0 H ILE A 66 6.870 3.795 8.508 1.00 44.13 H new ATOM 0 HA ILE A 66 5.539 2.526 10.731 1.00 11.42 H new ATOM 0 HB ILE A 66 4.861 3.898 8.238 1.00 54.00 H new ATOM 0 HG12 ILE A 66 3.048 4.390 10.418 1.00 40.03 H new ATOM 0 HG13 ILE A 66 4.654 4.293 11.112 1.00 40.03 H new ATOM 0 HG21 ILE A 66 2.466 3.250 8.421 1.00 73.50 H new ATOM 0 HG22 ILE A 66 3.508 1.876 7.980 1.00 73.50 H new ATOM 0 HG23 ILE A 66 2.905 2.037 9.647 1.00 73.50 H new ATOM 0 HD11 ILE A 66 4.087 6.617 10.538 1.00 11.13 H new ATOM 0 HD12 ILE A 66 5.452 6.050 9.547 1.00 11.13 H new ATOM 0 HD13 ILE A 66 3.820 6.149 8.842 1.00 11.13 H new ATOM 1137 N ILE A 67 5.998 0.745 7.989 1.00 23.44 N ATOM 1138 CA ILE A 67 6.030 -0.630 7.516 1.00 55.13 C ATOM 1139 C ILE A 67 7.071 -1.361 8.360 1.00 42.23 C ATOM 1140 O ILE A 67 6.784 -2.460 8.825 1.00 42.42 O ATOM 1141 CB ILE A 67 6.267 -0.677 5.988 1.00 42.40 C ATOM 1142 CG1 ILE A 67 4.920 -0.712 5.229 1.00 33.22 C ATOM 1143 CG2 ILE A 67 7.104 -1.883 5.525 1.00 34.54 C ATOM 1144 CD1 ILE A 67 3.948 0.407 5.613 1.00 11.31 C ATOM 0 H ILE A 67 6.279 1.438 7.295 1.00 23.44 H new ATOM 0 HA ILE A 67 5.076 -1.142 7.645 1.00 55.13 H new ATOM 0 HB ILE A 67 6.828 0.229 5.759 1.00 42.40 H new ATOM 0 HG12 ILE A 67 5.118 -0.653 4.159 1.00 33.22 H new ATOM 0 HG13 ILE A 67 4.439 -1.673 5.411 1.00 33.22 H new ATOM 0 HG21 ILE A 67 7.227 -1.846 4.443 1.00 34.54 H new ATOM 0 HG22 ILE A 67 8.083 -1.851 6.003 1.00 34.54 H new ATOM 0 HG23 ILE A 67 6.595 -2.807 5.801 1.00 34.54 H new ATOM 0 HD11 ILE A 67 3.030 0.307 5.033 1.00 11.31 H new ATOM 0 HD12 ILE A 67 3.715 0.338 6.676 1.00 11.31 H new ATOM 0 HD13 ILE A 67 4.405 1.374 5.404 1.00 11.31 H new ATOM 1156 N ARG A 68 8.236 -0.757 8.640 1.00 54.44 N ATOM 1157 CA ARG A 68 9.256 -1.410 9.447 1.00 71.44 C ATOM 1158 C ARG A 68 8.697 -1.717 10.832 1.00 40.00 C ATOM 1159 O ARG A 68 8.965 -2.801 11.338 1.00 1.11 O ATOM 1160 CB ARG A 68 10.536 -0.589 9.514 1.00 0.11 C ATOM 1161 CG ARG A 68 11.278 -0.696 8.179 1.00 74.24 C ATOM 1162 CD ARG A 68 12.554 0.121 8.252 1.00 14.12 C ATOM 1163 NE ARG A 68 13.460 -0.233 7.162 1.00 72.10 N ATOM 1164 CZ ARG A 68 14.530 0.490 6.808 1.00 32.15 C ATOM 1165 NH1 ARG A 68 14.762 1.671 7.371 1.00 54.24 N ATOM 1166 NH2 ARG A 68 15.371 0.038 5.894 1.00 15.25 N ATOM 0 H ARG A 68 8.486 0.178 8.318 1.00 54.44 H new ATOM 0 HA ARG A 68 9.527 -2.352 8.971 1.00 71.44 H new ATOM 0 HB2 ARG A 68 10.302 0.453 9.730 1.00 0.11 H new ATOM 0 HB3 ARG A 68 11.170 -0.948 10.325 1.00 0.11 H new ATOM 0 HG2 ARG A 68 11.511 -1.738 7.961 1.00 74.24 H new ATOM 0 HG3 ARG A 68 10.646 -0.334 7.368 1.00 74.24 H new ATOM 0 HD2 ARG A 68 12.314 1.183 8.201 1.00 14.12 H new ATOM 0 HD3 ARG A 68 13.046 -0.049 9.210 1.00 14.12 H new ATOM 0 HE ARG A 68 13.265 -1.086 6.637 1.00 72.10 H new ATOM 0 HH11 ARG A 68 14.123 2.033 8.079 1.00 54.24 H new ATOM 0 HH12 ARG A 68 15.579 2.215 7.096 1.00 54.24 H new ATOM 0 HH21 ARG A 68 15.207 -0.867 5.453 1.00 15.25 H new ATOM 0 HH22 ARG A 68 16.184 0.594 5.629 1.00 15.25 H new ATOM 1180 N ARG A 69 7.919 -0.812 11.455 1.00 1.24 N ATOM 1181 CA ARG A 69 7.339 -1.051 12.773 1.00 21.21 C ATOM 1182 C ARG A 69 6.438 -2.280 12.776 1.00 24.25 C ATOM 1183 O ARG A 69 6.722 -3.204 13.530 1.00 75.21 O ATOM 1184 CB ARG A 69 6.534 0.182 13.221 1.00 75.44 C ATOM 1185 CG ARG A 69 5.848 -0.066 14.578 1.00 40.40 C ATOM 1186 CD ARG A 69 5.263 1.216 15.167 1.00 2.01 C ATOM 1187 NE ARG A 69 6.312 2.104 15.686 1.00 55.20 N ATOM 1188 CZ ARG A 69 6.098 3.202 16.411 1.00 3.01 C ATOM 1189 NH1 ARG A 69 4.866 3.672 16.584 1.00 60.52 N ATOM 1190 NH2 ARG A 69 7.133 3.860 16.912 1.00 75.54 N ATOM 0 H ARG A 69 7.681 0.096 11.056 1.00 1.24 H new ATOM 0 HA ARG A 69 8.158 -1.232 13.470 1.00 21.21 H new ATOM 0 HB2 ARG A 69 7.196 1.044 13.297 1.00 75.44 H new ATOM 0 HB3 ARG A 69 5.783 0.422 12.469 1.00 75.44 H new ATOM 0 HG2 ARG A 69 5.054 -0.803 14.454 1.00 40.40 H new ATOM 0 HG3 ARG A 69 6.569 -0.490 15.277 1.00 40.40 H new ATOM 0 HD2 ARG A 69 4.689 1.739 14.402 1.00 2.01 H new ATOM 0 HD3 ARG A 69 4.569 0.964 15.969 1.00 2.01 H new ATOM 0 HE ARG A 69 7.280 1.861 15.475 1.00 55.20 H new ATOM 0 HH11 ARG A 69 4.073 3.191 16.160 1.00 60.52 H new ATOM 0 HH12 ARG A 69 4.715 4.513 17.141 1.00 60.52 H new ATOM 0 HH21 ARG A 69 8.081 3.525 16.741 1.00 75.54 H new ATOM 0 HH22 ARG A 69 6.982 4.701 17.468 1.00 75.54 H new ATOM 1204 N ARG A 70 5.376 -2.323 11.965 1.00 74.14 N ATOM 1205 CA ARG A 70 4.489 -3.498 12.000 1.00 71.35 C ATOM 1206 C ARG A 70 5.121 -4.758 11.425 1.00 72.23 C ATOM 1207 O ARG A 70 4.829 -5.842 11.919 1.00 41.02 O ATOM 1208 CB ARG A 70 3.124 -3.231 11.352 1.00 3.02 C ATOM 1209 CG ARG A 70 3.183 -2.487 10.006 1.00 12.05 C ATOM 1210 CD ARG A 70 2.145 -2.970 8.976 1.00 23.51 C ATOM 1211 NE ARG A 70 0.838 -3.344 9.548 1.00 71.23 N ATOM 1212 CZ ARG A 70 -0.106 -2.543 10.066 1.00 75.24 C ATOM 1213 NH1 ARG A 70 0.033 -1.219 10.046 1.00 42.33 N ATOM 1214 NH2 ARG A 70 -1.198 -3.070 10.597 1.00 40.32 N ATOM 0 H ARG A 70 5.114 -1.594 11.302 1.00 74.14 H new ATOM 0 HA ARG A 70 4.324 -3.684 13.061 1.00 71.35 H new ATOM 0 HB2 ARG A 70 2.616 -4.184 11.203 1.00 3.02 H new ATOM 0 HB3 ARG A 70 2.516 -2.651 12.046 1.00 3.02 H new ATOM 0 HG2 ARG A 70 3.034 -1.422 10.185 1.00 12.05 H new ATOM 0 HG3 ARG A 70 4.181 -2.602 9.582 1.00 12.05 H new ATOM 0 HD2 ARG A 70 1.992 -2.182 8.238 1.00 23.51 H new ATOM 0 HD3 ARG A 70 2.553 -3.830 8.445 1.00 23.51 H new ATOM 0 HE ARG A 70 0.624 -4.341 9.550 1.00 71.23 H new ATOM 0 HH11 ARG A 70 0.866 -0.800 9.633 1.00 42.33 H new ATOM 0 HH12 ARG A 70 -0.694 -0.624 10.444 1.00 42.33 H new ATOM 0 HH21 ARG A 70 -1.320 -4.083 10.612 1.00 40.32 H new ATOM 0 HH22 ARG A 70 -1.917 -2.464 10.991 1.00 40.32 H new ATOM 1228 N LEU A 71 5.965 -4.647 10.399 1.00 44.02 N ATOM 1229 CA LEU A 71 6.627 -5.811 9.803 1.00 40.04 C ATOM 1230 C LEU A 71 7.808 -6.283 10.673 1.00 32.21 C ATOM 1231 O LEU A 71 8.392 -7.329 10.406 1.00 21.21 O ATOM 1232 CB LEU A 71 7.065 -5.498 8.359 1.00 21.54 C ATOM 1233 CG LEU A 71 7.233 -6.763 7.495 1.00 72.15 C ATOM 1234 CD1 LEU A 71 5.908 -7.529 7.320 1.00 4.22 C ATOM 1235 CD2 LEU A 71 7.789 -6.392 6.117 1.00 34.21 C ATOM 0 H LEU A 71 6.208 -3.759 9.960 1.00 44.02 H new ATOM 0 HA LEU A 71 5.914 -6.634 9.762 1.00 40.04 H new ATOM 0 HB2 LEU A 71 6.328 -4.843 7.895 1.00 21.54 H new ATOM 0 HB3 LEU A 71 8.008 -4.952 8.381 1.00 21.54 H new ATOM 0 HG LEU A 71 7.932 -7.416 8.017 1.00 72.15 H new ATOM 0 HD11 LEU A 71 6.077 -8.412 6.704 1.00 4.22 H new ATOM 0 HD12 LEU A 71 5.532 -7.834 8.297 1.00 4.22 H new ATOM 0 HD13 LEU A 71 5.176 -6.883 6.835 1.00 4.22 H new ATOM 0 HD21 LEU A 71 7.903 -7.294 5.516 1.00 34.21 H new ATOM 0 HD22 LEU A 71 7.101 -5.709 5.619 1.00 34.21 H new ATOM 0 HD23 LEU A 71 8.759 -5.909 6.234 1.00 34.21 H new ATOM 1247 N GLN A 72 8.156 -5.526 11.720 1.00 21.12 N ATOM 1248 CA GLN A 72 9.231 -5.776 12.680 1.00 13.01 C ATOM 1249 C GLN A 72 10.541 -6.124 11.961 1.00 11.41 C ATOM 1250 O GLN A 72 11.230 -7.086 12.294 1.00 21.50 O ATOM 1251 CB GLN A 72 8.761 -6.775 13.755 1.00 33.53 C ATOM 1252 CG GLN A 72 7.407 -6.340 14.324 1.00 54.23 C ATOM 1253 CD GLN A 72 7.048 -7.053 15.607 1.00 14.43 C ATOM 1254 OE1 GLN A 72 7.189 -8.266 15.740 1.00 11.43 O ATOM 1255 NE2 GLN A 72 6.548 -6.318 16.581 1.00 62.13 N ATOM 0 H GLN A 72 7.657 -4.662 11.931 1.00 21.12 H new ATOM 0 HA GLN A 72 9.471 -4.867 13.232 1.00 13.01 H new ATOM 0 HB2 GLN A 72 8.679 -7.773 13.324 1.00 33.53 H new ATOM 0 HB3 GLN A 72 9.499 -6.833 14.555 1.00 33.53 H new ATOM 0 HG2 GLN A 72 7.424 -5.265 14.505 1.00 54.23 H new ATOM 0 HG3 GLN A 72 6.631 -6.526 13.582 1.00 54.23 H new ATOM 0 HE21 GLN A 72 6.437 -5.312 16.455 1.00 62.13 H new ATOM 0 HE22 GLN A 72 6.272 -6.756 17.460 1.00 62.13 H new ATOM 1264 N LEU A 73 10.871 -5.306 10.957 1.00 40.14 N ATOM 1265 CA LEU A 73 12.058 -5.436 10.116 1.00 23.54 C ATOM 1266 C LEU A 73 13.333 -5.430 10.963 1.00 60.44 C ATOM 1267 O LEU A 73 13.441 -4.629 11.893 1.00 40.23 O ATOM 1268 CB LEU A 73 12.103 -4.253 9.130 1.00 44.42 C ATOM 1269 CG LEU A 73 12.557 -4.570 7.695 1.00 33.44 C ATOM 1270 CD1 LEU A 73 13.852 -5.379 7.584 1.00 11.23 C ATOM 1271 CD2 LEU A 73 11.429 -5.256 6.927 1.00 41.32 C ATOM 0 H LEU A 73 10.294 -4.505 10.700 1.00 40.14 H new ATOM 0 HA LEU A 73 12.004 -6.382 9.578 1.00 23.54 H new ATOM 0 HB2 LEU A 73 11.108 -3.811 9.083 1.00 44.42 H new ATOM 0 HB3 LEU A 73 12.770 -3.494 9.539 1.00 44.42 H new ATOM 0 HG LEU A 73 12.792 -3.604 7.247 1.00 33.44 H new ATOM 0 HD11 LEU A 73 14.086 -5.550 6.533 1.00 11.23 H new ATOM 0 HD12 LEU A 73 14.667 -4.827 8.052 1.00 11.23 H new ATOM 0 HD13 LEU A 73 13.727 -6.337 8.088 1.00 11.23 H new ATOM 0 HD21 LEU A 73 11.761 -5.476 5.912 1.00 41.32 H new ATOM 0 HD22 LEU A 73 11.159 -6.185 7.430 1.00 41.32 H new ATOM 0 HD23 LEU A 73 10.561 -4.598 6.890 1.00 41.32 H new ATOM 1283 N ASN A 74 14.303 -6.279 10.621 1.00 13.33 N ATOM 1284 CA ASN A 74 15.580 -6.374 11.317 1.00 72.13 C ATOM 1285 C ASN A 74 16.371 -5.082 11.118 1.00 1.43 C ATOM 1286 O ASN A 74 16.122 -4.312 10.187 1.00 3.45 O ATOM 1287 CB ASN A 74 16.380 -7.586 10.789 1.00 32.32 C ATOM 1288 CG ASN A 74 16.534 -8.711 11.814 1.00 23.12 C ATOM 1289 OD1 ASN A 74 17.125 -9.813 11.401 1.00 75.34 O flip ATOM 1290 ND2 ASN A 74 16.119 -8.618 12.964 1.00 54.41 N flip ATOM 0 H ASN A 74 14.219 -6.929 9.839 1.00 13.33 H new ATOM 0 HA ASN A 74 15.401 -6.516 12.383 1.00 72.13 H new ATOM 0 HB2 ASN A 74 15.884 -7.980 9.902 1.00 32.32 H new ATOM 0 HB3 ASN A 74 17.370 -7.250 10.479 1.00 32.32 H new ATOM 0 HD21 ASN A 74 15.663 -7.760 13.274 1.00 54.41 H new ATOM 0 HD22 ASN A 74 16.230 -9.399 13.611 1.00 54.41 H new ATOM 1297 N ALA A 75 17.344 -4.840 11.990 1.00 35.44 N ATOM 1298 CA ALA A 75 18.215 -3.671 11.934 1.00 41.31 C ATOM 1299 C ALA A 75 19.499 -4.047 11.201 1.00 1.15 C ATOM 1300 O ALA A 75 20.173 -3.187 10.640 1.00 63.52 O ATOM 1301 CB ALA A 75 18.560 -3.195 13.345 1.00 53.34 C ATOM 0 H ALA A 75 17.553 -5.463 12.770 1.00 35.44 H new ATOM 0 HA ALA A 75 17.701 -2.866 11.408 1.00 41.31 H new ATOM 0 HB1 ALA A 75 19.210 -2.322 13.286 1.00 53.34 H new ATOM 0 HB2 ALA A 75 17.644 -2.930 13.874 1.00 53.34 H new ATOM 0 HB3 ALA A 75 19.072 -3.993 13.883 1.00 53.34 H new ATOM 1307 N ASN A 76 19.860 -5.330 11.233 1.00 60.32 N ATOM 1308 CA ASN A 76 21.049 -5.868 10.580 1.00 60.41 C ATOM 1309 C ASN A 76 20.797 -6.064 9.088 1.00 33.54 C ATOM 1310 O ASN A 76 21.759 -6.270 8.347 1.00 2.45 O ATOM 1311 CB ASN A 76 21.481 -7.186 11.238 1.00 53.00 C ATOM 1312 CG ASN A 76 20.305 -8.123 11.428 1.00 41.41 C ATOM 1313 OD1 ASN A 76 19.620 -8.049 12.439 1.00 22.25 O ATOM 1314 ND2 ASN A 76 19.926 -8.888 10.428 1.00 22.32 N ATOM 0 H ASN A 76 19.319 -6.040 11.727 1.00 60.32 H new ATOM 0 HA ASN A 76 21.860 -5.150 10.698 1.00 60.41 H new ATOM 0 HB2 ASN A 76 22.238 -7.671 10.622 1.00 53.00 H new ATOM 0 HB3 ASN A 76 21.942 -6.978 12.204 1.00 53.00 H new ATOM 0 HD21 ASN A 76 19.059 -9.421 10.494 1.00 22.32 H new ATOM 0 HD22 ASN A 76 20.499 -8.948 9.586 1.00 22.32 H new ATOM 1321 N GLN A 77 19.537 -6.036 8.638 1.00 14.32 N ATOM 1322 CA GLN A 77 19.180 -6.199 7.232 1.00 4.13 C ATOM 1323 C GLN A 77 18.503 -4.913 6.758 1.00 42.12 C ATOM 1324 O GLN A 77 17.888 -4.205 7.556 1.00 61.50 O ATOM 1325 CB GLN A 77 18.348 -7.478 7.028 1.00 21.45 C ATOM 1326 CG GLN A 77 16.834 -7.249 6.926 1.00 11.11 C ATOM 1327 CD GLN A 77 16.103 -8.536 6.587 1.00 1.02 C ATOM 1328 OE1 GLN A 77 15.361 -9.067 7.408 1.00 20.23 O ATOM 1329 NE2 GLN A 77 16.309 -9.101 5.407 1.00 23.33 N ATOM 0 H GLN A 77 18.732 -5.898 9.249 1.00 14.32 H new ATOM 0 HA GLN A 77 20.063 -6.345 6.610 1.00 4.13 H new ATOM 0 HB2 GLN A 77 18.688 -7.975 6.120 1.00 21.45 H new ATOM 0 HB3 GLN A 77 18.544 -8.158 7.857 1.00 21.45 H new ATOM 0 HG2 GLN A 77 16.459 -6.853 7.870 1.00 11.11 H new ATOM 0 HG3 GLN A 77 16.628 -6.499 6.162 1.00 11.11 H new ATOM 0 HE21 GLN A 77 16.927 -8.655 4.729 1.00 23.33 H new ATOM 0 HE22 GLN A 77 15.850 -9.982 5.176 1.00 23.33 H new ATOM 1338 N ALA A 78 18.635 -4.600 5.471 1.00 60.41 N ATOM 1339 CA ALA A 78 18.071 -3.411 4.852 1.00 75.12 C ATOM 1340 C ALA A 78 17.098 -3.799 3.733 1.00 11.44 C ATOM 1341 O ALA A 78 17.025 -4.977 3.359 1.00 15.24 O ATOM 1342 CB ALA A 78 19.235 -2.536 4.388 1.00 23.42 C ATOM 0 H ALA A 78 19.152 -5.185 4.815 1.00 60.41 H new ATOM 0 HA ALA A 78 17.474 -2.833 5.557 1.00 75.12 H new ATOM 0 HB1 ALA A 78 18.846 -1.633 3.918 1.00 23.42 H new ATOM 0 HB2 ALA A 78 19.849 -2.263 5.246 1.00 23.42 H new ATOM 0 HB3 ALA A 78 19.841 -3.088 3.669 1.00 23.42 H new ATOM 1348 N PHE A 79 16.333 -2.846 3.201 1.00 72.24 N ATOM 1349 CA PHE A 79 15.388 -3.088 2.114 1.00 11.43 C ATOM 1350 C PHE A 79 15.122 -1.789 1.357 1.00 4.23 C ATOM 1351 O PHE A 79 15.557 -0.722 1.802 1.00 73.44 O ATOM 1352 CB PHE A 79 14.088 -3.718 2.659 1.00 42.11 C ATOM 1353 CG PHE A 79 12.924 -2.782 2.930 1.00 1.25 C ATOM 1354 CD1 PHE A 79 13.093 -1.710 3.817 1.00 20.34 C ATOM 1355 CD2 PHE A 79 11.679 -2.965 2.300 1.00 74.43 C ATOM 1356 CE1 PHE A 79 12.033 -0.838 4.091 1.00 61.02 C ATOM 1357 CE2 PHE A 79 10.614 -2.084 2.575 1.00 75.11 C ATOM 1358 CZ PHE A 79 10.785 -1.025 3.479 1.00 62.32 C ATOM 0 H PHE A 79 16.353 -1.876 3.516 1.00 72.24 H new ATOM 0 HA PHE A 79 15.820 -3.800 1.410 1.00 11.43 H new ATOM 0 HB2 PHE A 79 13.755 -4.474 1.948 1.00 42.11 H new ATOM 0 HB3 PHE A 79 14.327 -4.237 3.587 1.00 42.11 H new ATOM 0 HD1 PHE A 79 14.050 -1.555 4.293 1.00 20.34 H new ATOM 0 HD2 PHE A 79 11.540 -3.781 1.606 1.00 74.43 H new ATOM 0 HE1 PHE A 79 12.177 -0.017 4.777 1.00 61.02 H new ATOM 0 HE2 PHE A 79 9.661 -2.225 2.087 1.00 75.11 H new ATOM 0 HZ PHE A 79 9.964 -0.360 3.702 1.00 62.32 H new ATOM 1368 N PHE A 80 14.438 -1.888 0.221 1.00 3.53 N ATOM 1369 CA PHE A 80 14.065 -0.765 -0.619 1.00 0.54 C ATOM 1370 C PHE A 80 12.618 -0.981 -1.049 1.00 71.22 C ATOM 1371 O PHE A 80 12.079 -2.097 -1.010 1.00 55.22 O ATOM 1372 CB PHE A 80 15.008 -0.614 -1.829 1.00 12.55 C ATOM 1373 CG PHE A 80 16.407 -0.131 -1.480 1.00 15.55 C ATOM 1374 CD1 PHE A 80 16.649 1.248 -1.323 1.00 0.54 C ATOM 1375 CD2 PHE A 80 17.471 -1.038 -1.331 1.00 3.53 C ATOM 1376 CE1 PHE A 80 17.940 1.721 -1.032 1.00 4.53 C ATOM 1377 CE2 PHE A 80 18.764 -0.564 -1.039 1.00 40.51 C ATOM 1378 CZ PHE A 80 19.002 0.814 -0.890 1.00 73.34 C ATOM 0 H PHE A 80 14.120 -2.784 -0.148 1.00 3.53 H new ATOM 0 HA PHE A 80 14.156 0.168 -0.062 1.00 0.54 H new ATOM 0 HB2 PHE A 80 15.085 -1.576 -2.336 1.00 12.55 H new ATOM 0 HB3 PHE A 80 14.562 0.085 -2.537 1.00 12.55 H new ATOM 0 HD1 PHE A 80 15.834 1.949 -1.427 1.00 0.54 H new ATOM 0 HD2 PHE A 80 17.296 -2.098 -1.441 1.00 3.53 H new ATOM 0 HE1 PHE A 80 18.115 2.781 -0.918 1.00 4.53 H new ATOM 0 HE2 PHE A 80 19.579 -1.264 -0.929 1.00 40.51 H new ATOM 0 HZ PHE A 80 19.996 1.172 -0.668 1.00 73.34 H new ATOM 1388 N LEU A 81 11.996 0.120 -1.454 1.00 13.33 N ATOM 1389 CA LEU A 81 10.623 0.181 -1.906 1.00 44.30 C ATOM 1390 C LEU A 81 10.643 0.749 -3.310 1.00 44.14 C ATOM 1391 O LEU A 81 11.238 1.802 -3.546 1.00 44.13 O ATOM 1392 CB LEU A 81 9.814 1.045 -0.936 1.00 11.54 C ATOM 1393 CG LEU A 81 8.315 0.998 -1.274 1.00 55.32 C ATOM 1394 CD1 LEU A 81 7.518 1.026 0.026 1.00 0.21 C ATOM 1395 CD2 LEU A 81 7.883 2.161 -2.167 1.00 72.33 C ATOM 0 H LEU A 81 12.459 1.029 -1.475 1.00 13.33 H new ATOM 0 HA LEU A 81 10.149 -0.800 -1.927 1.00 44.30 H new ATOM 0 HB2 LEU A 81 9.971 0.696 0.085 1.00 11.54 H new ATOM 0 HB3 LEU A 81 10.168 2.075 -0.979 1.00 11.54 H new ATOM 0 HG LEU A 81 8.122 0.079 -1.828 1.00 55.32 H new ATOM 0 HD11 LEU A 81 6.452 0.993 -0.200 1.00 0.21 H new ATOM 0 HD12 LEU A 81 7.786 0.163 0.636 1.00 0.21 H new ATOM 0 HD13 LEU A 81 7.745 1.941 0.572 1.00 0.21 H new ATOM 0 HD21 LEU A 81 6.816 2.082 -2.377 1.00 72.33 H new ATOM 0 HD22 LEU A 81 8.084 3.104 -1.659 1.00 72.33 H new ATOM 0 HD23 LEU A 81 8.440 2.127 -3.103 1.00 72.33 H new ATOM 1407 N LEU A 82 9.994 0.052 -4.229 1.00 11.25 N ATOM 1408 CA LEU A 82 9.889 0.394 -5.629 1.00 2.33 C ATOM 1409 C LEU A 82 8.462 0.889 -5.851 1.00 41.12 C ATOM 1410 O LEU A 82 7.505 0.263 -5.389 1.00 13.11 O ATOM 1411 CB LEU A 82 10.252 -0.826 -6.488 1.00 62.40 C ATOM 1412 CG LEU A 82 11.528 -1.590 -6.041 1.00 53.10 C ATOM 1413 CD1 LEU A 82 11.226 -2.752 -5.078 1.00 41.34 C ATOM 1414 CD2 LEU A 82 12.221 -2.171 -7.271 1.00 63.32 C ATOM 0 H LEU A 82 9.502 -0.812 -4.001 1.00 11.25 H new ATOM 0 HA LEU A 82 10.585 1.180 -5.923 1.00 2.33 H new ATOM 0 HB2 LEU A 82 9.411 -1.519 -6.481 1.00 62.40 H new ATOM 0 HB3 LEU A 82 10.386 -0.498 -7.519 1.00 62.40 H new ATOM 0 HG LEU A 82 12.158 -0.871 -5.518 1.00 53.10 H new ATOM 0 HD11 LEU A 82 12.157 -3.247 -4.802 1.00 41.34 H new ATOM 0 HD12 LEU A 82 10.741 -2.365 -4.182 1.00 41.34 H new ATOM 0 HD13 LEU A 82 10.566 -3.468 -5.568 1.00 41.34 H new ATOM 0 HD21 LEU A 82 13.118 -2.709 -6.963 1.00 63.32 H new ATOM 0 HD22 LEU A 82 11.544 -2.857 -7.780 1.00 63.32 H new ATOM 0 HD23 LEU A 82 12.497 -1.363 -7.949 1.00 63.32 H new ATOM 1426 N VAL A 83 8.303 2.036 -6.502 1.00 41.43 N ATOM 1427 CA VAL A 83 6.987 2.629 -6.763 1.00 60.41 C ATOM 1428 C VAL A 83 6.555 2.190 -8.149 1.00 62.01 C ATOM 1429 O VAL A 83 7.347 2.257 -9.082 1.00 34.05 O ATOM 1430 CB VAL A 83 7.016 4.152 -6.574 1.00 3.35 C ATOM 1431 CG1 VAL A 83 5.623 4.749 -6.819 1.00 31.42 C ATOM 1432 CG2 VAL A 83 7.445 4.513 -5.142 1.00 12.23 C ATOM 0 H VAL A 83 9.081 2.585 -6.866 1.00 41.43 H new ATOM 0 HA VAL A 83 6.246 2.279 -6.044 1.00 60.41 H new ATOM 0 HB VAL A 83 7.730 4.559 -7.290 1.00 3.35 H new ATOM 0 HG11 VAL A 83 5.661 5.830 -6.681 1.00 31.42 H new ATOM 0 HG12 VAL A 83 5.305 4.524 -7.837 1.00 31.42 H new ATOM 0 HG13 VAL A 83 4.913 4.318 -6.113 1.00 31.42 H new ATOM 0 HG21 VAL A 83 7.459 5.597 -5.029 1.00 12.23 H new ATOM 0 HG22 VAL A 83 6.739 4.083 -4.431 1.00 12.23 H new ATOM 0 HG23 VAL A 83 8.441 4.115 -4.949 1.00 12.23 H new ATOM 1442 N ASN A 84 5.349 1.633 -8.269 1.00 73.11 N ATOM 1443 CA ASN A 84 4.740 1.099 -9.490 1.00 53.31 C ATOM 1444 C ASN A 84 5.558 -0.058 -10.089 1.00 11.25 C ATOM 1445 O ASN A 84 5.091 -0.715 -11.019 1.00 31.44 O ATOM 1446 CB ASN A 84 4.420 2.212 -10.513 1.00 40.50 C ATOM 1447 CG ASN A 84 3.090 2.908 -10.244 1.00 52.20 C ATOM 1448 OD1 ASN A 84 2.443 2.681 -9.228 1.00 62.01 O ATOM 1449 ND2 ASN A 84 2.626 3.728 -11.160 1.00 1.21 N ATOM 0 H ASN A 84 4.731 1.536 -7.464 1.00 73.11 H new ATOM 0 HA ASN A 84 3.780 0.668 -9.207 1.00 53.31 H new ATOM 0 HB2 ASN A 84 5.220 2.952 -10.498 1.00 40.50 H new ATOM 0 HB3 ASN A 84 4.402 1.782 -11.515 1.00 40.50 H new ATOM 0 HD21 ASN A 84 1.722 4.181 -11.028 1.00 1.21 H new ATOM 0 HD22 ASN A 84 3.170 3.912 -12.003 1.00 1.21 H new ATOM 1456 N GLY A 85 6.705 -0.402 -9.494 1.00 55.13 N ATOM 1457 CA GLY A 85 7.646 -1.438 -9.885 1.00 3.14 C ATOM 1458 C GLY A 85 9.030 -0.851 -10.192 1.00 15.33 C ATOM 1459 O GLY A 85 9.914 -1.616 -10.588 1.00 14.33 O ATOM 0 H GLY A 85 7.019 0.084 -8.654 1.00 55.13 H new ATOM 0 HA2 GLY A 85 7.731 -2.175 -9.086 1.00 3.14 H new ATOM 0 HA3 GLY A 85 7.268 -1.962 -10.763 1.00 3.14 H new ATOM 1463 N HIS A 86 9.246 0.451 -9.949 1.00 23.03 N ATOM 1464 CA HIS A 86 10.476 1.185 -10.224 1.00 13.31 C ATOM 1465 C HIS A 86 10.949 1.994 -9.012 1.00 21.25 C ATOM 1466 O HIS A 86 10.199 2.792 -8.452 1.00 40.51 O ATOM 1467 CB HIS A 86 10.208 2.128 -11.408 1.00 33.41 C ATOM 1468 CG HIS A 86 9.506 1.450 -12.562 1.00 14.45 C ATOM 1469 ND1 HIS A 86 10.105 0.762 -13.590 1.00 55.43 N ATOM 1470 CD2 HIS A 86 8.151 1.324 -12.711 1.00 22.15 C ATOM 1471 CE1 HIS A 86 9.134 0.230 -14.346 1.00 21.32 C ATOM 1472 NE2 HIS A 86 7.924 0.548 -13.853 1.00 60.30 N ATOM 0 H HIS A 86 8.527 1.044 -9.534 1.00 23.03 H new ATOM 0 HA HIS A 86 11.267 0.473 -10.458 1.00 13.31 H new ATOM 0 HB2 HIS A 86 9.603 2.968 -11.066 1.00 33.41 H new ATOM 0 HB3 HIS A 86 11.155 2.539 -11.758 1.00 33.41 H new ATOM 0 HD2 HIS A 86 7.395 1.746 -12.065 1.00 22.15 H new ATOM 0 HE1 HIS A 86 9.300 -0.370 -15.228 1.00 21.32 H new ATOM 0 HE2 HIS A 86 7.018 0.277 -14.236 1.00 60.30 H new ATOM 1480 N SER A 87 12.191 1.799 -8.587 1.00 32.21 N ATOM 1481 CA SER A 87 12.837 2.465 -7.466 1.00 11.45 C ATOM 1482 C SER A 87 13.582 3.715 -7.966 1.00 41.42 C ATOM 1483 O SER A 87 14.785 3.668 -8.236 1.00 20.42 O ATOM 1484 CB SER A 87 13.758 1.438 -6.788 1.00 44.53 C ATOM 1485 OG SER A 87 13.901 1.706 -5.408 1.00 72.24 O ATOM 0 H SER A 87 12.811 1.131 -9.045 1.00 32.21 H new ATOM 0 HA SER A 87 12.116 2.818 -6.729 1.00 11.45 H new ATOM 0 HB2 SER A 87 13.352 0.436 -6.925 1.00 44.53 H new ATOM 0 HB3 SER A 87 14.737 1.453 -7.267 1.00 44.53 H new ATOM 0 HG SER A 87 13.020 1.689 -4.978 1.00 72.24 H new ATOM 1491 N MET A 88 12.884 4.850 -8.078 1.00 41.52 N ATOM 1492 CA MET A 88 13.456 6.118 -8.552 1.00 22.05 C ATOM 1493 C MET A 88 13.119 7.335 -7.684 1.00 64.23 C ATOM 1494 O MET A 88 13.584 8.441 -7.965 1.00 24.43 O ATOM 1495 CB MET A 88 13.056 6.351 -10.019 1.00 34.42 C ATOM 1496 CG MET A 88 11.545 6.525 -10.226 1.00 54.21 C ATOM 1497 SD MET A 88 11.122 7.144 -11.874 1.00 51.50 S ATOM 1498 CE MET A 88 9.315 7.028 -11.824 1.00 52.23 C ATOM 0 H MET A 88 11.894 4.916 -7.840 1.00 41.52 H new ATOM 0 HA MET A 88 14.538 6.015 -8.472 1.00 22.05 H new ATOM 0 HB2 MET A 88 13.569 7.238 -10.390 1.00 34.42 H new ATOM 0 HB3 MET A 88 13.401 5.509 -10.619 1.00 34.42 H new ATOM 0 HG2 MET A 88 11.049 5.567 -10.066 1.00 54.21 H new ATOM 0 HG3 MET A 88 11.158 7.214 -9.475 1.00 54.21 H new ATOM 0 HE1 MET A 88 8.902 7.375 -12.771 1.00 52.23 H new ATOM 0 HE2 MET A 88 9.021 5.992 -11.658 1.00 52.23 H new ATOM 0 HE3 MET A 88 8.933 7.648 -11.013 1.00 52.23 H new ATOM 1508 N VAL A 89 12.319 7.159 -6.641 1.00 75.33 N ATOM 1509 CA VAL A 89 11.918 8.232 -5.742 1.00 35.23 C ATOM 1510 C VAL A 89 12.879 8.308 -4.555 1.00 20.45 C ATOM 1511 O VAL A 89 13.417 7.286 -4.106 1.00 44.52 O ATOM 1512 CB VAL A 89 10.458 7.986 -5.307 1.00 12.53 C ATOM 1513 CG1 VAL A 89 10.293 6.795 -4.354 1.00 23.02 C ATOM 1514 CG2 VAL A 89 9.837 9.215 -4.645 1.00 33.02 C ATOM 0 H VAL A 89 11.924 6.252 -6.392 1.00 75.33 H new ATOM 0 HA VAL A 89 11.966 9.198 -6.245 1.00 35.23 H new ATOM 0 HB VAL A 89 9.937 7.760 -6.238 1.00 12.53 H new ATOM 0 HG11 VAL A 89 9.241 6.683 -4.091 1.00 23.02 H new ATOM 0 HG12 VAL A 89 10.644 5.886 -4.843 1.00 23.02 H new ATOM 0 HG13 VAL A 89 10.877 6.969 -3.450 1.00 23.02 H new ATOM 0 HG21 VAL A 89 8.810 8.993 -4.356 1.00 33.02 H new ATOM 0 HG22 VAL A 89 10.413 9.481 -3.759 1.00 33.02 H new ATOM 0 HG23 VAL A 89 9.844 10.049 -5.347 1.00 33.02 H new ATOM 1524 N SER A 90 13.108 9.508 -4.032 1.00 52.52 N ATOM 1525 CA SER A 90 13.967 9.718 -2.881 1.00 13.41 C ATOM 1526 C SER A 90 13.128 9.530 -1.612 1.00 23.32 C ATOM 1527 O SER A 90 11.933 9.829 -1.571 1.00 34.43 O ATOM 1528 CB SER A 90 14.642 11.086 -2.992 1.00 54.30 C ATOM 1529 OG SER A 90 15.608 11.022 -4.031 1.00 0.45 O ATOM 0 H SER A 90 12.698 10.366 -4.401 1.00 52.52 H new ATOM 0 HA SER A 90 14.777 8.990 -2.837 1.00 13.41 H new ATOM 0 HB2 SER A 90 13.903 11.858 -3.207 1.00 54.30 H new ATOM 0 HB3 SER A 90 15.117 11.353 -2.048 1.00 54.30 H new ATOM 0 HG SER A 90 16.051 11.891 -4.119 1.00 0.45 H new ATOM 1535 N VAL A 91 13.775 9.046 -0.554 1.00 23.31 N ATOM 1536 CA VAL A 91 13.158 8.768 0.740 1.00 23.05 C ATOM 1537 C VAL A 91 12.582 10.040 1.394 1.00 11.35 C ATOM 1538 O VAL A 91 11.665 9.964 2.215 1.00 1.22 O ATOM 1539 CB VAL A 91 14.195 8.027 1.620 1.00 73.03 C ATOM 1540 CG1 VAL A 91 13.609 7.556 2.955 1.00 13.45 C ATOM 1541 CG2 VAL A 91 14.734 6.774 0.907 1.00 33.01 C ATOM 0 H VAL A 91 14.772 8.830 -0.574 1.00 23.31 H new ATOM 0 HA VAL A 91 12.291 8.120 0.612 1.00 23.05 H new ATOM 0 HB VAL A 91 14.988 8.753 1.801 1.00 73.03 H new ATOM 0 HG11 VAL A 91 14.380 7.043 3.530 1.00 13.45 H new ATOM 0 HG12 VAL A 91 13.248 8.417 3.518 1.00 13.45 H new ATOM 0 HG13 VAL A 91 12.781 6.872 2.768 1.00 13.45 H new ATOM 0 HG21 VAL A 91 15.460 6.274 1.548 1.00 33.01 H new ATOM 0 HG22 VAL A 91 13.909 6.094 0.694 1.00 33.01 H new ATOM 0 HG23 VAL A 91 15.215 7.065 -0.027 1.00 33.01 H new ATOM 1551 N SER A 92 13.047 11.219 0.985 1.00 53.11 N ATOM 1552 CA SER A 92 12.607 12.501 1.521 1.00 73.41 C ATOM 1553 C SER A 92 11.548 13.203 0.658 1.00 20.11 C ATOM 1554 O SER A 92 11.295 14.388 0.872 1.00 2.41 O ATOM 1555 CB SER A 92 13.837 13.384 1.751 1.00 44.33 C ATOM 1556 OG SER A 92 14.886 12.644 2.359 1.00 55.43 O ATOM 0 H SER A 92 13.755 11.309 0.256 1.00 53.11 H new ATOM 0 HA SER A 92 12.102 12.314 2.469 1.00 73.41 H new ATOM 0 HB2 SER A 92 14.179 13.793 0.800 1.00 44.33 H new ATOM 0 HB3 SER A 92 13.569 14.230 2.384 1.00 44.33 H new ATOM 0 HG SER A 92 15.662 13.227 2.495 1.00 55.43 H new ATOM 1562 N THR A 93 10.965 12.548 -0.347 1.00 35.35 N ATOM 1563 CA THR A 93 9.945 13.161 -1.196 1.00 60.22 C ATOM 1564 C THR A 93 8.552 12.985 -0.557 1.00 55.53 C ATOM 1565 O THR A 93 8.257 11.891 -0.056 1.00 24.02 O ATOM 1566 CB THR A 93 10.013 12.505 -2.585 1.00 60.14 C ATOM 1567 OG1 THR A 93 11.349 12.542 -3.056 1.00 63.30 O ATOM 1568 CG2 THR A 93 9.174 13.239 -3.630 1.00 63.32 C ATOM 0 H THR A 93 11.186 11.583 -0.594 1.00 35.35 H new ATOM 0 HA THR A 93 10.125 14.231 -1.298 1.00 60.22 H new ATOM 0 HB THR A 93 9.633 11.491 -2.462 1.00 60.14 H new ATOM 0 HG1 THR A 93 11.824 11.739 -2.755 1.00 63.30 H new ATOM 0 HG21 THR A 93 9.261 12.730 -4.590 1.00 63.32 H new ATOM 0 HG22 THR A 93 8.130 13.248 -3.318 1.00 63.32 H new ATOM 0 HG23 THR A 93 9.531 14.264 -3.729 1.00 63.32 H new ATOM 1576 N PRO A 94 7.690 14.025 -0.551 1.00 33.05 N ATOM 1577 CA PRO A 94 6.355 13.913 0.010 1.00 20.31 C ATOM 1578 C PRO A 94 5.499 13.015 -0.892 1.00 13.53 C ATOM 1579 O PRO A 94 5.516 13.088 -2.131 1.00 53.41 O ATOM 1580 CB PRO A 94 5.803 15.327 0.138 1.00 51.53 C ATOM 1581 CG PRO A 94 6.614 16.154 -0.853 1.00 53.40 C ATOM 1582 CD PRO A 94 7.905 15.364 -1.082 1.00 63.13 C ATOM 0 HA PRO A 94 6.356 13.448 0.996 1.00 20.31 H new ATOM 0 HB2 PRO A 94 4.739 15.359 -0.098 1.00 51.53 H new ATOM 0 HB3 PRO A 94 5.916 15.705 1.154 1.00 51.53 H new ATOM 0 HG2 PRO A 94 6.069 16.294 -1.786 1.00 53.40 H new ATOM 0 HG3 PRO A 94 6.826 17.146 -0.455 1.00 53.40 H new ATOM 0 HD2 PRO A 94 8.147 15.322 -2.144 1.00 63.13 H new ATOM 0 HD3 PRO A 94 8.745 15.846 -0.582 1.00 63.13 H new ATOM 1590 N ILE A 95 4.719 12.149 -0.250 1.00 24.04 N ATOM 1591 CA ILE A 95 3.873 11.212 -0.965 1.00 75.04 C ATOM 1592 C ILE A 95 2.811 11.912 -1.822 1.00 43.34 C ATOM 1593 O ILE A 95 2.221 11.268 -2.683 1.00 52.30 O ATOM 1594 CB ILE A 95 3.414 10.095 -0.007 1.00 72.03 C ATOM 1595 CG1 ILE A 95 2.701 8.910 -0.686 1.00 4.42 C ATOM 1596 CG2 ILE A 95 2.596 10.558 1.214 1.00 21.03 C ATOM 1597 CD1 ILE A 95 3.510 8.202 -1.773 1.00 40.23 C ATOM 0 H ILE A 95 4.659 12.081 0.766 1.00 24.04 H new ATOM 0 HA ILE A 95 4.438 10.688 -1.736 1.00 75.04 H new ATOM 0 HB ILE A 95 4.375 9.741 0.366 1.00 72.03 H new ATOM 0 HG12 ILE A 95 2.433 8.181 0.079 1.00 4.42 H new ATOM 0 HG13 ILE A 95 1.770 9.269 -1.124 1.00 4.42 H new ATOM 0 HG21 ILE A 95 2.325 9.693 1.820 1.00 21.03 H new ATOM 0 HG22 ILE A 95 3.193 11.247 1.812 1.00 21.03 H new ATOM 0 HG23 ILE A 95 1.691 11.062 0.876 1.00 21.03 H new ATOM 0 HD11 ILE A 95 2.922 7.384 -2.189 1.00 40.23 H new ATOM 0 HD12 ILE A 95 3.756 8.911 -2.564 1.00 40.23 H new ATOM 0 HD13 ILE A 95 4.430 7.806 -1.342 1.00 40.23 H new ATOM 1609 N SER A 96 2.472 13.180 -1.564 1.00 74.43 N ATOM 1610 CA SER A 96 1.486 13.938 -2.342 1.00 2.45 C ATOM 1611 C SER A 96 1.940 14.034 -3.811 1.00 0.52 C ATOM 1612 O SER A 96 1.228 13.637 -4.742 1.00 15.44 O ATOM 1613 CB SER A 96 1.323 15.329 -1.708 1.00 34.33 C ATOM 1614 OG SER A 96 2.577 15.918 -1.415 1.00 71.21 O ATOM 0 H SER A 96 2.881 13.716 -0.798 1.00 74.43 H new ATOM 0 HA SER A 96 0.520 13.433 -2.330 1.00 2.45 H new ATOM 0 HB2 SER A 96 0.766 15.976 -2.386 1.00 34.33 H new ATOM 0 HB3 SER A 96 0.737 15.246 -0.793 1.00 34.33 H new ATOM 0 HG SER A 96 2.438 16.802 -1.015 1.00 71.21 H new ATOM 1620 N GLU A 97 3.138 14.579 -4.026 1.00 44.10 N ATOM 1621 CA GLU A 97 3.688 14.712 -5.364 1.00 73.10 C ATOM 1622 C GLU A 97 4.015 13.323 -5.905 1.00 23.04 C ATOM 1623 O GLU A 97 3.738 13.077 -7.079 1.00 63.31 O ATOM 1624 CB GLU A 97 4.872 15.683 -5.409 1.00 0.54 C ATOM 1625 CG GLU A 97 6.076 15.210 -4.599 1.00 53.23 C ATOM 1626 CD GLU A 97 7.225 16.206 -4.674 1.00 13.21 C ATOM 1627 OE1 GLU A 97 7.160 17.272 -4.015 1.00 0.35 O ATOM 1628 OE2 GLU A 97 8.217 15.889 -5.363 1.00 1.32 O ATOM 0 H GLU A 97 3.743 14.934 -3.285 1.00 44.10 H new ATOM 0 HA GLU A 97 2.944 15.162 -6.021 1.00 73.10 H new ATOM 0 HB2 GLU A 97 5.175 15.827 -6.446 1.00 0.54 H new ATOM 0 HB3 GLU A 97 4.550 16.654 -5.034 1.00 0.54 H new ATOM 0 HG2 GLU A 97 5.783 15.069 -3.559 1.00 53.23 H new ATOM 0 HG3 GLU A 97 6.408 14.241 -4.971 1.00 53.23 H new ATOM 1635 N VAL A 98 4.513 12.394 -5.063 1.00 32.45 N ATOM 1636 CA VAL A 98 4.809 11.060 -5.603 1.00 41.50 C ATOM 1637 C VAL A 98 3.516 10.420 -6.150 1.00 2.44 C ATOM 1638 O VAL A 98 3.525 9.826 -7.229 1.00 42.32 O ATOM 1639 CB VAL A 98 5.520 10.169 -4.570 1.00 44.24 C ATOM 1640 CG1 VAL A 98 5.854 8.774 -5.119 1.00 75.12 C ATOM 1641 CG2 VAL A 98 6.836 10.805 -4.117 1.00 51.20 C ATOM 0 H VAL A 98 4.707 12.530 -4.071 1.00 32.45 H new ATOM 0 HA VAL A 98 5.508 11.164 -6.432 1.00 41.50 H new ATOM 0 HB VAL A 98 4.822 10.071 -3.739 1.00 44.24 H new ATOM 0 HG11 VAL A 98 6.354 8.189 -4.347 1.00 75.12 H new ATOM 0 HG12 VAL A 98 4.934 8.270 -5.417 1.00 75.12 H new ATOM 0 HG13 VAL A 98 6.511 8.871 -5.984 1.00 75.12 H new ATOM 0 HG21 VAL A 98 7.321 10.157 -3.387 1.00 51.20 H new ATOM 0 HG22 VAL A 98 7.492 10.936 -4.978 1.00 51.20 H new ATOM 0 HG23 VAL A 98 6.634 11.775 -3.663 1.00 51.20 H new ATOM 1651 N TYR A 99 2.401 10.563 -5.424 1.00 62.33 N ATOM 1652 CA TYR A 99 1.089 10.050 -5.778 1.00 3.45 C ATOM 1653 C TYR A 99 0.698 10.566 -7.153 1.00 2.11 C ATOM 1654 O TYR A 99 0.441 9.764 -8.058 1.00 41.42 O ATOM 1655 CB TYR A 99 0.105 10.523 -4.698 1.00 75.40 C ATOM 1656 CG TYR A 99 -1.357 10.601 -5.066 1.00 13.43 C ATOM 1657 CD1 TYR A 99 -2.022 9.455 -5.512 1.00 64.32 C ATOM 1658 CD2 TYR A 99 -2.061 11.817 -4.934 1.00 0.35 C ATOM 1659 CE1 TYR A 99 -3.389 9.519 -5.799 1.00 0.52 C ATOM 1660 CE2 TYR A 99 -3.438 11.877 -5.211 1.00 34.12 C ATOM 1661 CZ TYR A 99 -4.114 10.714 -5.634 1.00 53.24 C ATOM 1662 OH TYR A 99 -5.455 10.729 -5.872 1.00 63.44 O ATOM 0 H TYR A 99 2.398 11.063 -4.535 1.00 62.33 H new ATOM 0 HA TYR A 99 1.083 8.961 -5.824 1.00 3.45 H new ATOM 0 HB2 TYR A 99 0.200 9.855 -3.842 1.00 75.40 H new ATOM 0 HB3 TYR A 99 0.421 11.512 -4.367 1.00 75.40 H new ATOM 0 HD1 TYR A 99 -1.484 8.527 -5.634 1.00 64.32 H new ATOM 0 HD2 TYR A 99 -1.538 12.708 -4.618 1.00 0.35 H new ATOM 0 HE1 TYR A 99 -3.898 8.635 -6.154 1.00 0.52 H new ATOM 0 HE2 TYR A 99 -3.975 12.808 -5.101 1.00 34.12 H new ATOM 0 HH TYR A 99 -5.806 11.630 -5.711 1.00 63.44 H new ATOM 1672 N GLU A 100 0.661 11.891 -7.334 1.00 21.25 N ATOM 1673 CA GLU A 100 0.271 12.379 -8.657 1.00 3.23 C ATOM 1674 C GLU A 100 1.307 12.111 -9.761 1.00 15.43 C ATOM 1675 O GLU A 100 0.952 12.162 -10.943 1.00 23.32 O ATOM 1676 CB GLU A 100 -0.211 13.824 -8.631 1.00 60.00 C ATOM 1677 CG GLU A 100 0.754 14.744 -7.902 1.00 24.33 C ATOM 1678 CD GLU A 100 0.391 16.193 -8.159 1.00 24.44 C ATOM 1679 OE1 GLU A 100 -0.579 16.675 -7.517 1.00 44.23 O ATOM 1680 OE2 GLU A 100 1.066 16.834 -8.988 1.00 43.22 O ATOM 0 H GLU A 100 0.880 12.600 -6.634 1.00 21.25 H new ATOM 0 HA GLU A 100 -0.589 11.771 -8.937 1.00 3.23 H new ATOM 0 HB2 GLU A 100 -0.344 14.178 -9.653 1.00 60.00 H new ATOM 0 HB3 GLU A 100 -1.187 13.870 -8.148 1.00 60.00 H new ATOM 0 HG2 GLU A 100 0.725 14.539 -6.832 1.00 24.33 H new ATOM 0 HG3 GLU A 100 1.774 14.552 -8.236 1.00 24.33 H new ATOM 1687 N SER A 101 2.551 11.771 -9.409 1.00 15.35 N ATOM 1688 CA SER A 101 3.563 11.472 -10.407 1.00 52.13 C ATOM 1689 C SER A 101 3.474 10.000 -10.831 1.00 24.33 C ATOM 1690 O SER A 101 3.901 9.698 -11.944 1.00 22.32 O ATOM 1691 CB SER A 101 4.974 11.780 -9.866 1.00 14.11 C ATOM 1692 OG SER A 101 5.964 11.639 -10.881 1.00 73.30 O ATOM 0 H SER A 101 2.873 11.698 -8.444 1.00 15.35 H new ATOM 0 HA SER A 101 3.380 12.104 -11.276 1.00 52.13 H new ATOM 0 HB2 SER A 101 4.999 12.795 -9.470 1.00 14.11 H new ATOM 0 HB3 SER A 101 5.202 11.109 -9.038 1.00 14.11 H new ATOM 0 HG SER A 101 6.847 11.842 -10.507 1.00 73.30 H new ATOM 1698 N GLU A 102 2.877 9.115 -10.027 1.00 13.13 N ATOM 1699 CA GLU A 102 2.773 7.684 -10.324 1.00 40.53 C ATOM 1700 C GLU A 102 1.329 7.159 -10.384 1.00 21.22 C ATOM 1701 O GLU A 102 1.120 5.971 -10.589 1.00 20.23 O ATOM 1702 CB GLU A 102 3.653 6.923 -9.315 1.00 4.23 C ATOM 1703 CG GLU A 102 5.151 7.277 -9.425 1.00 1.34 C ATOM 1704 CD GLU A 102 5.861 6.592 -10.598 1.00 13.55 C ATOM 1705 OE1 GLU A 102 5.540 6.876 -11.770 1.00 3.12 O ATOM 1706 OE2 GLU A 102 6.796 5.801 -10.334 1.00 72.01 O ATOM 0 H GLU A 102 2.447 9.376 -9.140 1.00 13.13 H new ATOM 0 HA GLU A 102 3.140 7.510 -11.336 1.00 40.53 H new ATOM 0 HB2 GLU A 102 3.308 7.142 -8.305 1.00 4.23 H new ATOM 0 HB3 GLU A 102 3.527 5.851 -9.469 1.00 4.23 H new ATOM 0 HG2 GLU A 102 5.253 8.357 -9.530 1.00 1.34 H new ATOM 0 HG3 GLU A 102 5.650 6.999 -8.497 1.00 1.34 H new ATOM 1713 N LYS A 103 0.308 8.011 -10.267 1.00 61.13 N ATOM 1714 CA LYS A 103 -1.106 7.608 -10.328 1.00 54.33 C ATOM 1715 C LYS A 103 -1.456 6.649 -11.489 1.00 1.11 C ATOM 1716 O LYS A 103 -1.159 6.933 -12.655 1.00 24.12 O ATOM 1717 CB LYS A 103 -2.013 8.858 -10.359 1.00 60.12 C ATOM 1718 CG LYS A 103 -1.583 9.920 -11.388 1.00 75.21 C ATOM 1719 CD LYS A 103 -2.600 11.038 -11.659 1.00 60.20 C ATOM 1720 CE LYS A 103 -2.868 11.899 -10.425 1.00 3.15 C ATOM 1721 NZ LYS A 103 -3.895 12.928 -10.670 1.00 60.14 N ATOM 0 H LYS A 103 0.437 9.013 -10.125 1.00 61.13 H new ATOM 0 HA LYS A 103 -1.289 7.032 -9.421 1.00 54.33 H new ATOM 0 HB2 LYS A 103 -3.035 8.547 -10.578 1.00 60.12 H new ATOM 0 HB3 LYS A 103 -2.023 9.311 -9.368 1.00 60.12 H new ATOM 0 HG2 LYS A 103 -0.654 10.375 -11.046 1.00 75.21 H new ATOM 0 HG3 LYS A 103 -1.364 9.418 -12.330 1.00 75.21 H new ATOM 0 HD2 LYS A 103 -2.232 11.671 -12.467 1.00 60.20 H new ATOM 0 HD3 LYS A 103 -3.537 10.597 -12.001 1.00 60.20 H new ATOM 0 HE2 LYS A 103 -3.187 11.260 -9.602 1.00 3.15 H new ATOM 0 HE3 LYS A 103 -1.941 12.381 -10.114 1.00 3.15 H new ATOM 0 HZ1 LYS A 103 -4.041 13.486 -9.804 1.00 60.14 H new ATOM 0 HZ2 LYS A 103 -3.581 13.556 -11.437 1.00 60.14 H new ATOM 0 HZ3 LYS A 103 -4.788 12.469 -10.941 1.00 60.14 H new ATOM 1735 N ASP A 104 -2.146 5.546 -11.181 1.00 53.24 N ATOM 1736 CA ASP A 104 -2.573 4.547 -12.152 1.00 61.40 C ATOM 1737 C ASP A 104 -3.847 5.022 -12.846 1.00 63.22 C ATOM 1738 O ASP A 104 -4.528 5.938 -12.376 1.00 40.12 O ATOM 1739 CB ASP A 104 -2.949 3.238 -11.441 1.00 74.22 C ATOM 1740 CG ASP A 104 -1.783 2.325 -11.107 1.00 63.33 C ATOM 1741 OD1 ASP A 104 -0.912 2.687 -10.296 1.00 14.13 O ATOM 1742 OD2 ASP A 104 -1.751 1.198 -11.664 1.00 64.41 O ATOM 0 H ASP A 104 -2.427 5.323 -10.226 1.00 53.24 H new ATOM 0 HA ASP A 104 -1.754 4.396 -12.855 1.00 61.40 H new ATOM 0 HB2 ASP A 104 -3.474 3.483 -10.518 1.00 74.22 H new ATOM 0 HB3 ASP A 104 -3.650 2.690 -12.070 1.00 74.22 H new ATOM 1747 N GLU A 105 -4.230 4.333 -13.920 1.00 15.33 N ATOM 1748 CA GLU A 105 -5.431 4.609 -14.700 1.00 64.04 C ATOM 1749 C GLU A 105 -6.708 4.411 -13.864 1.00 2.53 C ATOM 1750 O GLU A 105 -7.718 5.068 -14.124 1.00 60.12 O ATOM 1751 CB GLU A 105 -5.427 3.713 -15.951 1.00 24.05 C ATOM 1752 CG GLU A 105 -5.504 2.204 -15.638 1.00 14.32 C ATOM 1753 CD GLU A 105 -4.481 1.401 -16.435 1.00 20.24 C ATOM 1754 OE1 GLU A 105 -3.292 1.387 -16.033 1.00 3.32 O ATOM 1755 OE2 GLU A 105 -4.861 0.737 -17.428 1.00 42.41 O ATOM 0 H GLU A 105 -3.695 3.543 -14.281 1.00 15.33 H new ATOM 0 HA GLU A 105 -5.427 5.655 -15.008 1.00 64.04 H new ATOM 0 HB2 GLU A 105 -6.271 3.986 -16.585 1.00 24.05 H new ATOM 0 HB3 GLU A 105 -4.521 3.910 -16.524 1.00 24.05 H new ATOM 0 HG2 GLU A 105 -5.338 2.046 -14.572 1.00 14.32 H new ATOM 0 HG3 GLU A 105 -6.506 1.838 -15.862 1.00 14.32 H new ATOM 1762 N ASP A 106 -6.701 3.503 -12.879 1.00 64.03 N ATOM 1763 CA ASP A 106 -7.852 3.241 -12.003 1.00 14.35 C ATOM 1764 C ASP A 106 -7.873 4.247 -10.851 1.00 53.13 C ATOM 1765 O ASP A 106 -8.881 4.378 -10.156 1.00 1.43 O ATOM 1766 CB ASP A 106 -7.898 1.797 -11.461 1.00 64.23 C ATOM 1767 CG ASP A 106 -6.778 1.418 -10.489 1.00 40.21 C ATOM 1768 OD1 ASP A 106 -5.685 2.023 -10.563 1.00 61.33 O ATOM 1769 OD2 ASP A 106 -6.960 0.468 -9.696 1.00 64.11 O ATOM 0 H ASP A 106 -5.889 2.924 -12.665 1.00 64.03 H new ATOM 0 HA ASP A 106 -8.745 3.362 -12.617 1.00 14.35 H new ATOM 0 HB2 ASP A 106 -8.855 1.646 -10.961 1.00 64.23 H new ATOM 0 HB3 ASP A 106 -7.869 1.110 -12.307 1.00 64.23 H new ATOM 1774 N GLY A 107 -6.798 5.020 -10.697 1.00 0.53 N ATOM 1775 CA GLY A 107 -6.630 6.033 -9.679 1.00 40.11 C ATOM 1776 C GLY A 107 -5.967 5.503 -8.415 1.00 54.40 C ATOM 1777 O GLY A 107 -5.826 6.282 -7.470 1.00 71.24 O ATOM 0 H GLY A 107 -5.988 4.946 -11.312 1.00 0.53 H new ATOM 0 HA2 GLY A 107 -6.030 6.849 -10.082 1.00 40.11 H new ATOM 0 HA3 GLY A 107 -7.605 6.449 -9.424 1.00 40.11 H new ATOM 1781 N PHE A 108 -5.589 4.230 -8.349 1.00 71.11 N ATOM 1782 CA PHE A 108 -4.939 3.629 -7.188 1.00 42.24 C ATOM 1783 C PHE A 108 -3.417 3.860 -7.304 1.00 32.42 C ATOM 1784 O PHE A 108 -2.939 4.271 -8.362 1.00 55.20 O ATOM 1785 CB PHE A 108 -5.317 2.132 -7.205 1.00 41.43 C ATOM 1786 CG PHE A 108 -5.681 1.503 -5.870 1.00 61.21 C ATOM 1787 CD1 PHE A 108 -4.857 1.654 -4.744 1.00 13.22 C ATOM 1788 CD2 PHE A 108 -6.878 0.769 -5.745 1.00 74.04 C ATOM 1789 CE1 PHE A 108 -5.250 1.142 -3.503 1.00 23.02 C ATOM 1790 CE2 PHE A 108 -7.294 0.283 -4.492 1.00 71.11 C ATOM 1791 CZ PHE A 108 -6.479 0.482 -3.365 1.00 20.22 C ATOM 0 H PHE A 108 -5.729 3.573 -9.117 1.00 71.11 H new ATOM 0 HA PHE A 108 -5.257 4.067 -6.242 1.00 42.24 H new ATOM 0 HB2 PHE A 108 -6.160 2.002 -7.883 1.00 41.43 H new ATOM 0 HB3 PHE A 108 -4.480 1.575 -7.626 1.00 41.43 H new ATOM 0 HD1 PHE A 108 -3.912 2.169 -4.836 1.00 13.22 H new ATOM 0 HD2 PHE A 108 -7.482 0.578 -6.620 1.00 74.04 H new ATOM 0 HE1 PHE A 108 -4.603 1.256 -2.646 1.00 23.02 H new ATOM 0 HE2 PHE A 108 -8.234 -0.240 -4.397 1.00 71.11 H new ATOM 0 HZ PHE A 108 -6.798 0.128 -2.396 1.00 20.22 H new ATOM 1801 N LEU A 109 -2.630 3.774 -6.223 1.00 24.35 N ATOM 1802 CA LEU A 109 -1.161 3.924 -6.289 1.00 20.23 C ATOM 1803 C LEU A 109 -0.532 2.537 -6.089 1.00 24.13 C ATOM 1804 O LEU A 109 -0.987 1.868 -5.162 1.00 14.54 O ATOM 1805 CB LEU A 109 -0.684 4.901 -5.202 1.00 42.20 C ATOM 1806 CG LEU A 109 0.559 5.710 -5.571 1.00 21.24 C ATOM 1807 CD1 LEU A 109 1.008 6.542 -4.368 1.00 4.45 C ATOM 1808 CD2 LEU A 109 1.756 4.915 -6.103 1.00 53.52 C ATOM 0 H LEU A 109 -2.985 3.600 -5.283 1.00 24.35 H new ATOM 0 HA LEU A 109 -0.861 4.328 -7.256 1.00 20.23 H new ATOM 0 HB2 LEU A 109 -1.495 5.592 -4.972 1.00 42.20 H new ATOM 0 HB3 LEU A 109 -0.477 4.338 -4.292 1.00 42.20 H new ATOM 0 HG LEU A 109 0.238 6.330 -6.408 1.00 21.24 H new ATOM 0 HD11 LEU A 109 1.894 7.118 -4.634 1.00 4.45 H new ATOM 0 HD12 LEU A 109 0.208 7.222 -4.077 1.00 4.45 H new ATOM 0 HD13 LEU A 109 1.242 5.880 -3.535 1.00 4.45 H new ATOM 0 HD21 LEU A 109 2.575 5.598 -6.329 1.00 53.52 H new ATOM 0 HD22 LEU A 109 2.080 4.197 -5.349 1.00 53.52 H new ATOM 0 HD23 LEU A 109 1.466 4.384 -7.009 1.00 53.52 H new ATOM 1820 N TYR A 110 0.405 2.025 -6.898 1.00 21.45 N ATOM 1821 CA TYR A 110 1.010 0.705 -6.645 1.00 72.02 C ATOM 1822 C TYR A 110 2.421 0.874 -6.081 1.00 2.53 C ATOM 1823 O TYR A 110 3.181 1.745 -6.494 1.00 0.43 O ATOM 1824 CB TYR A 110 1.113 -0.155 -7.917 1.00 73.22 C ATOM 1825 CG TYR A 110 -0.090 -1.014 -8.260 1.00 41.30 C ATOM 1826 CD1 TYR A 110 -1.197 -0.433 -8.894 1.00 32.04 C ATOM 1827 CD2 TYR A 110 -0.089 -2.400 -8.002 1.00 2.10 C ATOM 1828 CE1 TYR A 110 -2.316 -1.209 -9.237 1.00 3.22 C ATOM 1829 CE2 TYR A 110 -1.194 -3.193 -8.369 1.00 12.14 C ATOM 1830 CZ TYR A 110 -2.322 -2.596 -8.980 1.00 40.21 C ATOM 1831 OH TYR A 110 -3.420 -3.343 -9.287 1.00 43.22 O ATOM 0 H TYR A 110 0.760 2.499 -7.728 1.00 21.45 H new ATOM 0 HA TYR A 110 0.356 0.200 -5.934 1.00 72.02 H new ATOM 0 HB2 TYR A 110 1.309 0.507 -8.760 1.00 73.22 H new ATOM 0 HB3 TYR A 110 1.980 -0.808 -7.816 1.00 73.22 H new ATOM 0 HD1 TYR A 110 -1.189 0.623 -9.121 1.00 32.04 H new ATOM 0 HD2 TYR A 110 0.763 -2.856 -7.521 1.00 2.10 H new ATOM 0 HE1 TYR A 110 -3.174 -0.743 -9.699 1.00 3.22 H new ATOM 0 HE2 TYR A 110 -1.180 -4.257 -8.184 1.00 12.14 H new ATOM 0 HH TYR A 110 -3.272 -3.808 -10.137 1.00 43.22 H new ATOM 1841 N MET A 111 2.829 -0.009 -5.173 1.00 14.42 N ATOM 1842 CA MET A 111 4.149 -0.024 -4.565 1.00 62.10 C ATOM 1843 C MET A 111 4.479 -1.478 -4.266 1.00 35.44 C ATOM 1844 O MET A 111 3.617 -2.262 -3.856 1.00 42.44 O ATOM 1845 CB MET A 111 4.233 0.815 -3.282 1.00 52.11 C ATOM 1846 CG MET A 111 4.000 2.308 -3.539 1.00 52.33 C ATOM 1847 SD MET A 111 4.526 3.465 -2.240 1.00 32.22 S ATOM 1848 CE MET A 111 4.148 2.599 -0.694 1.00 72.11 C ATOM 0 H MET A 111 2.226 -0.758 -4.831 1.00 14.42 H new ATOM 0 HA MET A 111 4.864 0.425 -5.255 1.00 62.10 H new ATOM 0 HB2 MET A 111 3.494 0.453 -2.567 1.00 52.11 H new ATOM 0 HB3 MET A 111 5.213 0.677 -2.825 1.00 52.11 H new ATOM 0 HG2 MET A 111 4.516 2.577 -4.461 1.00 52.33 H new ATOM 0 HG3 MET A 111 2.935 2.459 -3.715 1.00 52.33 H new ATOM 0 HE1 MET A 111 4.771 2.997 0.107 1.00 72.11 H new ATOM 0 HE2 MET A 111 3.097 2.744 -0.443 1.00 72.11 H new ATOM 0 HE3 MET A 111 4.348 1.534 -0.815 1.00 72.11 H new ATOM 1858 N VAL A 112 5.739 -1.844 -4.441 1.00 33.23 N ATOM 1859 CA VAL A 112 6.249 -3.184 -4.203 1.00 3.14 C ATOM 1860 C VAL A 112 7.531 -3.029 -3.398 1.00 23.22 C ATOM 1861 O VAL A 112 8.224 -2.026 -3.555 1.00 21.42 O ATOM 1862 CB VAL A 112 6.429 -3.977 -5.522 1.00 32.05 C ATOM 1863 CG1 VAL A 112 5.218 -4.882 -5.784 1.00 44.21 C ATOM 1864 CG2 VAL A 112 6.632 -3.105 -6.773 1.00 44.20 C ATOM 0 H VAL A 112 6.457 -1.195 -4.763 1.00 33.23 H new ATOM 0 HA VAL A 112 5.538 -3.783 -3.634 1.00 3.14 H new ATOM 0 HB VAL A 112 7.341 -4.553 -5.366 1.00 32.05 H new ATOM 0 HG11 VAL A 112 5.367 -5.429 -6.715 1.00 44.21 H new ATOM 0 HG12 VAL A 112 5.108 -5.589 -4.962 1.00 44.21 H new ATOM 0 HG13 VAL A 112 4.318 -4.272 -5.861 1.00 44.21 H new ATOM 0 HG21 VAL A 112 6.749 -3.745 -7.648 1.00 44.20 H new ATOM 0 HG22 VAL A 112 5.765 -2.458 -6.910 1.00 44.20 H new ATOM 0 HG23 VAL A 112 7.525 -2.493 -6.649 1.00 44.20 H new ATOM 1874 N TYR A 113 7.830 -3.961 -2.500 1.00 20.04 N ATOM 1875 CA TYR A 113 9.053 -3.882 -1.686 1.00 74.11 C ATOM 1876 C TYR A 113 9.889 -5.148 -1.826 1.00 33.41 C ATOM 1877 O TYR A 113 9.348 -6.150 -2.282 1.00 64.41 O ATOM 1878 CB TYR A 113 8.729 -3.529 -0.233 1.00 72.21 C ATOM 1879 CG TYR A 113 7.990 -4.587 0.567 1.00 21.13 C ATOM 1880 CD1 TYR A 113 6.593 -4.731 0.463 1.00 2.20 C ATOM 1881 CD2 TYR A 113 8.715 -5.461 1.397 1.00 72.15 C ATOM 1882 CE1 TYR A 113 5.935 -5.767 1.150 1.00 40.44 C ATOM 1883 CE2 TYR A 113 8.066 -6.493 2.092 1.00 34.00 C ATOM 1884 CZ TYR A 113 6.675 -6.668 1.948 1.00 3.44 C ATOM 1885 OH TYR A 113 6.051 -7.712 2.554 1.00 22.21 O ATOM 0 H TYR A 113 7.250 -4.779 -2.312 1.00 20.04 H new ATOM 0 HA TYR A 113 9.669 -3.067 -2.066 1.00 74.11 H new ATOM 0 HB2 TYR A 113 9.663 -3.302 0.281 1.00 72.21 H new ATOM 0 HB3 TYR A 113 8.132 -2.617 -0.227 1.00 72.21 H new ATOM 0 HD1 TYR A 113 6.025 -4.044 -0.146 1.00 2.20 H new ATOM 0 HD2 TYR A 113 9.783 -5.336 1.501 1.00 72.15 H new ATOM 0 HE1 TYR A 113 4.863 -5.874 1.067 1.00 40.44 H new ATOM 0 HE2 TYR A 113 8.631 -7.151 2.735 1.00 34.00 H new ATOM 0 HH TYR A 113 6.721 -8.330 2.914 1.00 22.21 H new ATOM 1895 N ALA A 114 11.200 -5.062 -1.558 1.00 60.01 N ATOM 1896 CA ALA A 114 12.153 -6.174 -1.620 1.00 74.21 C ATOM 1897 C ALA A 114 13.439 -5.818 -0.876 1.00 3.41 C ATOM 1898 O ALA A 114 13.705 -4.646 -0.593 1.00 20.23 O ATOM 1899 CB ALA A 114 12.516 -6.424 -3.091 1.00 33.03 C ATOM 0 H ALA A 114 11.639 -4.184 -1.282 1.00 60.01 H new ATOM 0 HA ALA A 114 11.699 -7.054 -1.165 1.00 74.21 H new ATOM 0 HB1 ALA A 114 13.225 -7.249 -3.156 1.00 33.03 H new ATOM 0 HB2 ALA A 114 11.615 -6.675 -3.650 1.00 33.03 H new ATOM 0 HB3 ALA A 114 12.966 -5.525 -3.513 1.00 33.03 H new ATOM 1905 N SER A 115 14.276 -6.818 -0.585 1.00 11.43 N ATOM 1906 CA SER A 115 15.549 -6.610 0.090 1.00 52.51 C ATOM 1907 C SER A 115 16.622 -6.744 -0.992 1.00 63.00 C ATOM 1908 O SER A 115 17.312 -7.762 -1.092 1.00 75.30 O ATOM 1909 CB SER A 115 15.696 -7.594 1.262 1.00 72.23 C ATOM 1910 OG SER A 115 16.811 -7.316 2.075 1.00 23.23 O ATOM 0 H SER A 115 14.085 -7.794 -0.813 1.00 11.43 H new ATOM 0 HA SER A 115 15.636 -5.626 0.552 1.00 52.51 H new ATOM 0 HB2 SER A 115 14.792 -7.563 1.871 1.00 72.23 H new ATOM 0 HB3 SER A 115 15.782 -8.607 0.870 1.00 72.23 H new ATOM 0 HG SER A 115 16.617 -6.540 2.642 1.00 23.23 H new ATOM 1916 N GLN A 116 16.784 -5.695 -1.798 1.00 44.20 N ATOM 1917 CA GLN A 116 17.751 -5.597 -2.887 1.00 51.51 C ATOM 1918 C GLN A 116 17.620 -4.213 -3.508 1.00 52.52 C ATOM 1919 O GLN A 116 16.504 -3.701 -3.612 1.00 64.20 O ATOM 1920 CB GLN A 116 17.529 -6.682 -3.962 1.00 61.02 C ATOM 1921 CG GLN A 116 16.083 -6.855 -4.470 1.00 71.33 C ATOM 1922 CD GLN A 116 15.900 -8.079 -5.371 1.00 62.43 C ATOM 1923 OE1 GLN A 116 16.407 -9.233 -4.983 1.00 35.33 O flip ATOM 1924 NE2 GLN A 116 15.251 -8.040 -6.403 1.00 20.32 N flip ATOM 0 H GLN A 116 16.217 -4.852 -1.704 1.00 44.20 H new ATOM 0 HA GLN A 116 18.752 -5.753 -2.485 1.00 51.51 H new ATOM 0 HB2 GLN A 116 18.167 -6.453 -4.816 1.00 61.02 H new ATOM 0 HB3 GLN A 116 17.867 -7.637 -3.559 1.00 61.02 H new ATOM 0 HG2 GLN A 116 15.412 -6.939 -3.615 1.00 71.33 H new ATOM 0 HG3 GLN A 116 15.789 -5.961 -5.020 1.00 71.33 H new ATOM 0 HE21 GLN A 116 14.850 -7.157 -6.720 1.00 20.32 H new ATOM 0 HE22 GLN A 116 15.109 -8.890 -6.949 1.00 20.32 H new ATOM 1933 N GLU A 117 18.736 -3.619 -3.924 1.00 4.22 N ATOM 1934 CA GLU A 117 18.772 -2.296 -4.554 1.00 75.31 C ATOM 1935 C GLU A 117 18.688 -2.404 -6.088 1.00 13.45 C ATOM 1936 O GLU A 117 18.463 -1.417 -6.790 1.00 22.32 O ATOM 1937 CB GLU A 117 20.068 -1.596 -4.145 1.00 72.42 C ATOM 1938 CG GLU A 117 19.932 -0.076 -4.261 1.00 33.03 C ATOM 1939 CD GLU A 117 21.303 0.572 -4.154 1.00 23.45 C ATOM 1940 OE1 GLU A 117 21.914 0.504 -3.063 1.00 34.11 O ATOM 1941 OE2 GLU A 117 21.792 1.067 -5.195 1.00 32.21 O ATOM 0 H GLU A 117 19.657 -4.048 -3.833 1.00 4.22 H new ATOM 0 HA GLU A 117 17.910 -1.719 -4.219 1.00 75.31 H new ATOM 0 HB2 GLU A 117 20.322 -1.865 -3.120 1.00 72.42 H new ATOM 0 HB3 GLU A 117 20.886 -1.941 -4.777 1.00 72.42 H new ATOM 0 HG2 GLU A 117 19.469 0.186 -5.212 1.00 33.03 H new ATOM 0 HG3 GLU A 117 19.279 0.301 -3.474 1.00 33.03 H new ATOM 1948 N THR A 118 18.921 -3.601 -6.622 1.00 44.44 N ATOM 1949 CA THR A 118 18.884 -3.916 -8.038 1.00 22.13 C ATOM 1950 C THR A 118 18.214 -5.279 -8.182 1.00 23.45 C ATOM 1951 O THR A 118 18.477 -6.183 -7.380 1.00 42.54 O ATOM 1952 CB THR A 118 20.305 -3.903 -8.633 1.00 62.24 C ATOM 1953 OG1 THR A 118 21.287 -4.440 -7.756 1.00 12.15 O ATOM 1954 CG2 THR A 118 20.747 -2.489 -8.999 1.00 64.00 C ATOM 0 H THR A 118 19.151 -4.412 -6.047 1.00 44.44 H new ATOM 0 HA THR A 118 18.315 -3.169 -8.592 1.00 22.13 H new ATOM 0 HB THR A 118 20.238 -4.532 -9.521 1.00 62.24 H new ATOM 0 HG1 THR A 118 22.166 -4.406 -8.189 1.00 12.15 H new ATOM 0 HG21 THR A 118 21.754 -2.519 -9.416 1.00 64.00 H new ATOM 0 HG22 THR A 118 20.061 -2.073 -9.737 1.00 64.00 H new ATOM 0 HG23 THR A 118 20.742 -1.864 -8.106 1.00 64.00 H new ATOM 1962 N PHE A 119 17.278 -5.381 -9.120 1.00 11.51 N ATOM 1963 CA PHE A 119 16.545 -6.602 -9.425 1.00 40.50 C ATOM 1964 C PHE A 119 17.354 -7.363 -10.468 1.00 55.53 C ATOM 1965 O PHE A 119 17.007 -8.519 -10.777 1.00 0.33 O ATOM 1966 CB PHE A 119 15.147 -6.239 -9.962 1.00 44.32 C ATOM 1967 CG PHE A 119 14.067 -5.992 -8.918 1.00 74.21 C ATOM 1968 CD1 PHE A 119 14.359 -5.441 -7.653 1.00 12.53 C ATOM 1969 CD2 PHE A 119 12.742 -6.367 -9.211 1.00 72.00 C ATOM 1970 CE1 PHE A 119 13.352 -5.327 -6.677 1.00 4.24 C ATOM 1971 CE2 PHE A 119 11.737 -6.234 -8.239 1.00 20.11 C ATOM 1972 CZ PHE A 119 12.039 -5.733 -6.963 1.00 0.25 C ATOM 0 H PHE A 119 17.001 -4.593 -9.705 1.00 11.51 H new ATOM 0 HA PHE A 119 16.408 -7.221 -8.538 1.00 40.50 H new ATOM 0 HB2 PHE A 119 15.239 -5.344 -10.578 1.00 44.32 H new ATOM 0 HB3 PHE A 119 14.812 -7.044 -10.617 1.00 44.32 H new ATOM 0 HD1 PHE A 119 15.361 -5.105 -7.432 1.00 12.53 H new ATOM 0 HD2 PHE A 119 12.497 -6.759 -10.187 1.00 72.00 H new ATOM 0 HE1 PHE A 119 13.590 -4.925 -5.703 1.00 4.24 H new ATOM 0 HE2 PHE A 119 10.723 -6.520 -8.475 1.00 20.11 H new ATOM 0 HZ PHE A 119 11.269 -5.661 -6.209 1.00 0.25 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -19.793 -15.667 -1.646 1.00 75.04 N ATOM 1984 CA ASN B 169 -19.680 -14.208 -1.446 1.00 12.40 C ATOM 1985 C ASN B 169 -21.047 -13.556 -1.204 1.00 71.12 C ATOM 1986 O ASN B 169 -21.240 -12.388 -1.540 1.00 13.10 O ATOM 1987 CB ASN B 169 -18.923 -13.534 -2.603 1.00 61.02 C ATOM 1988 CG ASN B 169 -17.508 -14.072 -2.806 1.00 35.22 C ATOM 1989 OD1 ASN B 169 -16.704 -13.372 -3.584 1.00 52.43 O flip ATOM 1990 ND2 ASN B 169 -17.131 -15.121 -2.285 1.00 55.31 N flip ATOM 0 HA ASN B 169 -19.091 -14.054 -0.542 1.00 12.40 H new ATOM 0 HB2 ASN B 169 -19.490 -13.670 -3.524 1.00 61.02 H new ATOM 0 HB3 ASN B 169 -18.871 -12.461 -2.416 1.00 61.02 H new ATOM 0 HD21 ASN B 169 -17.765 -15.650 -1.686 1.00 55.31 H new ATOM 0 HD22 ASN B 169 -16.184 -15.462 -2.452 1.00 55.31 H new HETATM 1997 N SEP B 170 -22.015 -14.297 -0.655 1.00 64.01 N HETATM 1998 CA SEP B 170 -23.360 -13.835 -0.355 1.00 44.35 C HETATM 1999 CB SEP B 170 -24.232 -15.047 -0.011 1.00 61.44 C HETATM 2000 OG SEP B 170 -24.158 -16.025 -1.049 1.00 55.31 O HETATM 2001 C SEP B 170 -23.287 -12.804 0.772 1.00 4.11 C HETATM 2002 O SEP B 170 -23.615 -11.639 0.553 1.00 22.33 O HETATM 2003 P SEP B 170 -23.434 -17.444 -0.834 1.00 4.51 P HETATM 2004 O1P SEP B 170 -24.196 -18.040 0.276 1.00 31.24 O HETATM 2005 O2P SEP B 170 -23.612 -18.101 -2.147 1.00 73.03 O HETATM 2006 O3P SEP B 170 -22.034 -17.078 -0.522 1.00 64.12 O HETATM 0 HB3 SEP B 170 -23.903 -15.483 0.932 1.00 61.44 H new HETATM 0 HB2 SEP B 170 -25.266 -14.731 0.127 1.00 61.44 H new HETATM 0 HA SEP B 170 -23.819 -13.342 -1.212 1.00 44.35 H new HETATM 0 H SEP B 170 -21.796 -15.292 -0.613 1.00 64.01 H new HETATM 2011 N SEP B 171 -22.823 -13.195 1.962 1.00 21.12 N HETATM 2012 CA SEP B 171 -22.691 -12.253 3.063 1.00 0.22 C HETATM 2013 CB SEP B 171 -22.469 -12.997 4.384 1.00 63.15 C HETATM 2014 OG SEP B 171 -23.521 -13.903 4.642 1.00 2.34 O HETATM 2015 C SEP B 171 -21.483 -11.381 2.739 1.00 22.23 C HETATM 2016 O SEP B 171 -20.440 -11.920 2.341 1.00 23.24 O HETATM 2017 P SEP B 171 -24.812 -13.473 5.471 1.00 43.12 P HETATM 2018 O1P SEP B 171 -24.268 -13.041 6.773 1.00 60.21 O HETATM 2019 O2P SEP B 171 -25.406 -12.398 4.647 1.00 23.22 O HETATM 2020 O3P SEP B 171 -25.581 -14.731 5.485 1.00 62.33 O HETATM 0 HB3 SEP B 171 -21.522 -13.536 4.346 1.00 63.15 H new HETATM 0 HB2 SEP B 171 -22.395 -12.279 5.201 1.00 63.15 H new HETATM 0 HA SEP B 171 -23.595 -11.654 3.177 1.00 0.22 H new HETATM 0 H SEP B 171 -22.763 -14.198 2.139 1.00 21.12 H new ATOM 2025 N GLY B 172 -21.553 -10.088 3.042 1.00 55.02 N ATOM 2026 CA GLY B 172 -20.494 -9.123 2.808 1.00 11.21 C ATOM 2027 C GLY B 172 -20.792 -7.895 3.650 1.00 40.24 C ATOM 2028 O GLY B 172 -21.922 -7.407 3.607 1.00 2.44 O ATOM 0 H GLY B 172 -22.380 -9.673 3.472 1.00 55.02 H new ATOM 0 HA2 GLY B 172 -19.526 -9.545 3.077 1.00 11.21 H new ATOM 0 HA3 GLY B 172 -20.444 -8.859 1.752 1.00 11.21 H new HETATM 2032 N SEP B 173 -19.795 -7.425 4.393 1.00 63.43 N HETATM 2033 CA SEP B 173 -19.839 -6.267 5.269 1.00 33.41 C HETATM 2034 CB SEP B 173 -20.114 -6.727 6.719 1.00 12.10 C HETATM 2035 OG SEP B 173 -21.350 -6.233 7.213 1.00 1.10 O HETATM 2036 C SEP B 173 -18.504 -5.520 5.147 1.00 52.13 C HETATM 2037 O SEP B 173 -17.581 -5.975 4.455 1.00 0.30 O HETATM 2038 P SEP B 173 -21.486 -4.753 7.819 1.00 43.22 P HETATM 2039 O1P SEP B 173 -20.985 -3.881 6.743 1.00 41.32 O HETATM 2040 O2P SEP B 173 -22.929 -4.644 8.062 1.00 71.44 O HETATM 2041 O3P SEP B 173 -20.644 -4.771 9.037 1.00 23.20 O HETATM 0 HB3 SEP B 173 -20.118 -7.816 6.758 1.00 12.10 H new HETATM 0 HB2 SEP B 173 -19.305 -6.388 7.366 1.00 12.10 H new HETATM 0 HA SEP B 173 -20.644 -5.589 4.984 1.00 33.41 H new HETATM 2046 N SEP B 174 -18.395 -4.356 5.784 1.00 53.15 N HETATM 2047 CA SEP B 174 -17.203 -3.529 5.789 1.00 2.12 C HETATM 2048 CB SEP B 174 -17.533 -2.115 6.261 1.00 21.32 C HETATM 2049 OG SEP B 174 -18.411 -1.520 5.338 1.00 1.33 O HETATM 2050 C SEP B 174 -16.147 -4.155 6.692 1.00 2.23 C HETATM 2051 O SEP B 174 -16.179 -3.980 7.915 1.00 52.32 O HETATM 2052 P SEP B 174 -18.702 0.042 5.393 1.00 11.02 P HETATM 2053 O1P SEP B 174 -19.891 0.123 4.523 1.00 73.14 O HETATM 2054 O2P SEP B 174 -18.932 0.319 6.824 1.00 42.35 O HETATM 2055 O3P SEP B 174 -17.455 0.613 4.844 1.00 61.52 O HETATM 0 HB3 SEP B 174 -17.990 -2.145 7.250 1.00 21.32 H new HETATM 0 HB2 SEP B 174 -16.621 -1.524 6.348 1.00 21.32 H new HETATM 0 HA SEP B 174 -16.813 -3.467 4.773 1.00 2.12 H new HETATM 0 H SEP B 174 -19.290 -3.962 6.073 1.00 53.15 H new ATOM 2060 N GLU B 175 -15.352 -5.059 6.130 1.00 61.51 N ATOM 2061 CA GLU B 175 -14.274 -5.727 6.839 1.00 14.13 C ATOM 2062 C GLU B 175 -13.075 -4.778 6.838 1.00 71.24 C ATOM 2063 O GLU B 175 -13.075 -3.774 6.117 1.00 63.12 O ATOM 2064 CB GLU B 175 -13.889 -7.026 6.122 1.00 33.23 C ATOM 2065 CG GLU B 175 -15.039 -8.034 6.074 1.00 71.45 C ATOM 2066 CD GLU B 175 -14.525 -9.393 5.619 1.00 4.31 C ATOM 2067 OE1 GLU B 175 -14.077 -9.546 4.458 1.00 32.31 O ATOM 2068 OE2 GLU B 175 -14.510 -10.345 6.428 1.00 63.24 O ATOM 0 H GLU B 175 -15.442 -5.350 5.157 1.00 61.51 H new ATOM 0 HA GLU B 175 -14.585 -5.974 7.854 1.00 14.13 H new ATOM 0 HB2 GLU B 175 -13.570 -6.795 5.106 1.00 33.23 H new ATOM 0 HB3 GLU B 175 -13.036 -7.477 6.629 1.00 33.23 H new ATOM 0 HG2 GLU B 175 -15.498 -8.121 7.059 1.00 71.45 H new ATOM 0 HG3 GLU B 175 -15.813 -7.682 5.392 1.00 71.45 H new ATOM 2075 N ASP B 176 -12.044 -5.087 7.624 1.00 2.00 N ATOM 2076 CA ASP B 176 -10.839 -4.266 7.689 1.00 2.42 C ATOM 2077 C ASP B 176 -10.143 -4.475 6.348 1.00 60.44 C ATOM 2078 O ASP B 176 -9.435 -5.471 6.179 1.00 52.14 O ATOM 2079 CB ASP B 176 -9.899 -4.645 8.857 1.00 40.12 C ATOM 2080 CG ASP B 176 -10.609 -4.810 10.191 1.00 73.52 C ATOM 2081 OD1 ASP B 176 -11.386 -3.912 10.579 1.00 4.03 O ATOM 2082 OD2 ASP B 176 -10.523 -5.922 10.763 1.00 21.34 O ATOM 0 H ASP B 176 -12.022 -5.908 8.229 1.00 2.00 H new ATOM 0 HA ASP B 176 -11.102 -3.225 7.875 1.00 2.42 H new ATOM 0 HB2 ASP B 176 -9.387 -5.576 8.611 1.00 40.12 H new ATOM 0 HB3 ASP B 176 -9.132 -3.877 8.957 1.00 40.12 H new HETATM 2087 N SEP B 177 -10.272 -3.555 5.397 1.00 42.25 N HETATM 2088 CA SEP B 177 -9.654 -3.687 4.083 1.00 33.23 C HETATM 2089 CB SEP B 177 -10.687 -3.448 2.984 1.00 51.34 C HETATM 2090 OG SEP B 177 -11.548 -4.580 2.898 1.00 54.22 O HETATM 2091 C SEP B 177 -8.460 -2.759 3.942 1.00 52.24 C HETATM 2092 O SEP B 177 -7.405 -3.223 3.509 1.00 14.33 O HETATM 2093 P SEP B 177 -12.626 -4.752 1.720 1.00 23.00 P HETATM 2094 O1P SEP B 177 -13.910 -4.309 2.294 1.00 75.44 O HETATM 2095 O2P SEP B 177 -12.124 -3.945 0.593 1.00 1.13 O HETATM 2096 O3P SEP B 177 -12.583 -6.201 1.437 1.00 41.42 O HETATM 0 HB3 SEP B 177 -11.266 -2.551 3.202 1.00 51.34 H new HETATM 0 HB2 SEP B 177 -10.188 -3.282 2.029 1.00 51.34 H new HETATM 0 HA SEP B 177 -9.281 -4.706 3.978 1.00 33.23 H new ATOM 2101 N PHE B 178 -8.545 -1.513 4.408 1.00 72.34 N ATOM 2102 CA PHE B 178 -7.440 -0.570 4.314 1.00 74.11 C ATOM 2103 C PHE B 178 -6.745 -0.447 5.664 1.00 73.13 C ATOM 2104 O PHE B 178 -7.361 -0.660 6.709 1.00 41.15 O ATOM 2105 CB PHE B 178 -7.937 0.801 3.844 1.00 55.03 C ATOM 2106 CG PHE B 178 -8.270 0.885 2.366 1.00 54.11 C ATOM 2107 CD1 PHE B 178 -9.455 0.307 1.886 1.00 2.40 C ATOM 2108 CD2 PHE B 178 -7.431 1.574 1.467 1.00 0.52 C ATOM 2109 CE1 PHE B 178 -9.782 0.405 0.528 1.00 51.35 C ATOM 2110 CE2 PHE B 178 -7.796 1.710 0.114 1.00 14.55 C ATOM 2111 CZ PHE B 178 -8.962 1.109 -0.367 1.00 74.22 C ATOM 0 H PHE B 178 -9.378 -1.134 4.858 1.00 72.34 H new ATOM 0 HA PHE B 178 -6.726 -0.943 3.580 1.00 74.11 H new ATOM 0 HB2 PHE B 178 -8.825 1.066 4.418 1.00 55.03 H new ATOM 0 HB3 PHE B 178 -7.175 1.546 4.073 1.00 55.03 H new ATOM 0 HD1 PHE B 178 -10.115 -0.214 2.564 1.00 2.40 H new ATOM 0 HD2 PHE B 178 -6.503 2.000 1.818 1.00 0.52 H new ATOM 0 HE1 PHE B 178 -10.681 -0.069 0.163 1.00 51.35 H new ATOM 0 HE2 PHE B 178 -7.171 2.282 -0.556 1.00 14.55 H new ATOM 0 HZ PHE B 178 -9.228 1.185 -1.411 1.00 74.22 H new ATOM 2121 N VAL B 179 -5.462 -0.083 5.654 1.00 62.34 N ATOM 2122 CA VAL B 179 -4.685 0.097 6.866 1.00 63.53 C ATOM 2123 C VAL B 179 -3.967 1.440 6.812 1.00 24.11 C ATOM 2124 O VAL B 179 -2.986 1.669 6.099 1.00 21.34 O ATOM 2125 CB VAL B 179 -3.867 -1.162 7.181 1.00 32.54 C ATOM 2126 CG1 VAL B 179 -2.762 -1.531 6.191 1.00 22.41 C ATOM 2127 CG2 VAL B 179 -3.294 -1.104 8.597 1.00 54.32 C ATOM 0 H VAL B 179 -4.937 0.094 4.798 1.00 62.34 H new ATOM 0 HA VAL B 179 -5.311 0.182 7.754 1.00 63.53 H new ATOM 0 HB VAL B 179 -4.600 -1.963 7.086 1.00 32.54 H new ATOM 0 HG11 VAL B 179 -2.260 -2.438 6.527 1.00 22.41 H new ATOM 0 HG12 VAL B 179 -3.198 -1.701 5.206 1.00 22.41 H new ATOM 0 HG13 VAL B 179 -2.039 -0.717 6.132 1.00 22.41 H new ATOM 0 HG21 VAL B 179 -2.719 -2.009 8.794 1.00 54.32 H new ATOM 0 HG22 VAL B 179 -2.645 -0.233 8.691 1.00 54.32 H new ATOM 0 HG23 VAL B 179 -4.109 -1.028 9.317 1.00 54.32 H new ATOM 2137 N GLU B 180 -4.515 2.381 7.563 1.00 55.41 N ATOM 2138 CA GLU B 180 -4.025 3.736 7.689 1.00 24.14 C ATOM 2139 C GLU B 180 -2.692 3.799 8.428 1.00 52.44 C ATOM 2140 O GLU B 180 -2.325 2.891 9.183 1.00 53.33 O ATOM 2141 CB GLU B 180 -5.099 4.662 8.280 1.00 21.31 C ATOM 2142 CG GLU B 180 -5.380 4.458 9.779 1.00 54.03 C ATOM 2143 CD GLU B 180 -5.683 3.012 10.189 1.00 51.31 C ATOM 2144 OE1 GLU B 180 -6.551 2.356 9.567 1.00 42.00 O ATOM 2145 OE2 GLU B 180 -5.042 2.503 11.136 1.00 0.43 O ATOM 0 H GLU B 180 -5.349 2.210 8.124 1.00 55.41 H new ATOM 0 HA GLU B 180 -3.815 4.111 6.687 1.00 24.14 H new ATOM 0 HB2 GLU B 180 -4.794 5.696 8.120 1.00 21.31 H new ATOM 0 HB3 GLU B 180 -6.028 4.515 7.728 1.00 21.31 H new ATOM 0 HG2 GLU B 180 -4.517 4.808 10.346 1.00 54.03 H new ATOM 0 HG3 GLU B 180 -6.225 5.085 10.064 1.00 54.03 H new ATOM 2152 N ILE B 181 -1.939 4.863 8.171 1.00 61.43 N ATOM 2153 CA ILE B 181 -0.641 5.104 8.784 1.00 74.11 C ATOM 2154 C ILE B 181 -0.837 5.619 10.217 1.00 15.02 C ATOM 2155 O ILE B 181 -1.852 6.232 10.554 1.00 73.53 O ATOM 2156 CB ILE B 181 0.127 6.091 7.860 1.00 33.52 C ATOM 2157 CG1 ILE B 181 0.882 5.284 6.787 1.00 1.13 C ATOM 2158 CG2 ILE B 181 1.078 7.058 8.578 1.00 24.43 C ATOM 2159 CD1 ILE B 181 1.813 6.174 5.962 1.00 44.13 C ATOM 0 H ILE B 181 -2.220 5.595 7.518 1.00 61.43 H new ATOM 0 HA ILE B 181 -0.047 4.195 8.877 1.00 74.11 H new ATOM 0 HB ILE B 181 -0.627 6.738 7.412 1.00 33.52 H new ATOM 0 HG12 ILE B 181 1.462 4.495 7.266 1.00 1.13 H new ATOM 0 HG13 ILE B 181 0.165 4.796 6.127 1.00 1.13 H new ATOM 0 HG21 ILE B 181 1.563 7.702 7.845 1.00 24.43 H new ATOM 0 HG22 ILE B 181 0.512 7.670 9.281 1.00 24.43 H new ATOM 0 HG23 ILE B 181 1.835 6.490 9.119 1.00 24.43 H new ATOM 0 HD11 ILE B 181 2.328 5.569 5.216 1.00 44.13 H new ATOM 0 HD12 ILE B 181 1.229 6.947 5.462 1.00 44.13 H new ATOM 0 HD13 ILE B 181 2.546 6.641 6.619 1.00 44.13 H new ATOM 2171 N ARG B 182 0.132 5.298 11.080 1.00 55.40 N ATOM 2172 CA ARG B 182 0.185 5.687 12.484 1.00 61.20 C ATOM 2173 C ARG B 182 0.972 6.985 12.542 1.00 32.24 C ATOM 2174 O ARG B 182 2.135 7.005 12.139 1.00 0.21 O ATOM 2175 CB ARG B 182 0.878 4.597 13.310 1.00 21.51 C ATOM 2176 CG ARG B 182 -0.014 3.393 13.626 1.00 71.12 C ATOM 2177 CD ARG B 182 -1.217 3.736 14.511 1.00 73.51 C ATOM 2178 NE ARG B 182 -0.823 4.409 15.763 1.00 52.33 N ATOM 2179 CZ ARG B 182 -0.555 3.875 16.959 1.00 75.32 C ATOM 2180 NH1 ARG B 182 -0.638 2.566 17.160 1.00 63.20 N ATOM 2181 NH2 ARG B 182 -0.166 4.673 17.945 1.00 15.33 N ATOM 0 H ARG B 182 0.935 4.734 10.802 1.00 55.40 H new ATOM 0 HA ARG B 182 -0.815 5.819 12.897 1.00 61.20 H new ATOM 0 HB2 ARG B 182 1.759 4.251 12.770 1.00 21.51 H new ATOM 0 HB3 ARG B 182 1.228 5.032 14.246 1.00 21.51 H new ATOM 0 HG2 ARG B 182 -0.372 2.962 12.691 1.00 71.12 H new ATOM 0 HG3 ARG B 182 0.584 2.628 14.121 1.00 71.12 H new ATOM 0 HD2 ARG B 182 -1.901 4.379 13.956 1.00 73.51 H new ATOM 0 HD3 ARG B 182 -1.761 2.822 14.749 1.00 73.51 H new ATOM 0 HE ARG B 182 -0.744 5.424 15.709 1.00 52.33 H new ATOM 0 HH11 ARG B 182 -0.910 1.949 16.395 1.00 63.20 H new ATOM 0 HH12 ARG B 182 -0.430 2.177 18.080 1.00 63.20 H new ATOM 0 HH21 ARG B 182 -0.076 5.676 17.784 1.00 15.33 H new ATOM 0 HH22 ARG B 182 0.043 4.283 18.864 1.00 15.33 H new ATOM 2195 N MET B 183 0.335 8.043 13.021 1.00 41.02 N ATOM 2196 CA MET B 183 0.884 9.391 13.135 1.00 12.11 C ATOM 2197 C MET B 183 0.325 10.070 14.392 1.00 1.34 C ATOM 2198 O MET B 183 -0.336 9.408 15.204 1.00 62.40 O ATOM 2199 CB MET B 183 0.552 10.153 11.834 1.00 13.11 C ATOM 2200 CG MET B 183 -0.890 9.916 11.355 1.00 54.04 C ATOM 2201 SD MET B 183 -1.658 11.210 10.343 1.00 61.32 S ATOM 2202 CE MET B 183 -1.834 12.541 11.560 1.00 53.12 C ATOM 0 H MET B 183 -0.626 7.985 13.358 1.00 41.02 H new ATOM 0 HA MET B 183 1.968 9.376 13.250 1.00 12.11 H new ATOM 0 HB2 MET B 183 0.706 11.220 11.994 1.00 13.11 H new ATOM 0 HB3 MET B 183 1.245 9.845 11.051 1.00 13.11 H new ATOM 0 HG2 MET B 183 -0.907 8.988 10.784 1.00 54.04 H new ATOM 0 HG3 MET B 183 -1.515 9.761 12.234 1.00 54.04 H new ATOM 0 HE1 MET B 183 -2.520 13.296 11.176 1.00 53.12 H new ATOM 0 HE2 MET B 183 -2.227 12.133 12.491 1.00 53.12 H new ATOM 0 HE3 MET B 183 -0.861 12.995 11.746 1.00 53.12 H new ATOM 2212 N ALA B 184 0.607 11.361 14.588 1.00 61.34 N ATOM 2213 CA ALA B 184 0.137 12.133 15.729 1.00 22.11 C ATOM 2214 C ALA B 184 -0.456 13.449 15.233 1.00 54.23 C ATOM 2215 O ALA B 184 0.252 14.290 14.666 1.00 12.32 O ATOM 2216 CB ALA B 184 1.269 12.361 16.732 1.00 21.12 C ATOM 0 H ALA B 184 1.180 11.904 13.942 1.00 61.34 H new ATOM 0 HA ALA B 184 -0.642 11.578 16.252 1.00 22.11 H new ATOM 0 HB1 ALA B 184 0.896 12.940 17.577 1.00 21.12 H new ATOM 0 HB2 ALA B 184 1.640 11.399 17.087 1.00 21.12 H new ATOM 0 HB3 ALA B 184 2.079 12.906 16.248 1.00 21.12 H new ATOM 2222 N GLU B 185 -1.773 13.564 15.367 1.00 14.45 N ATOM 2223 CA GLU B 185 -2.594 14.708 15.007 1.00 53.20 C ATOM 2224 C GLU B 185 -2.915 15.354 16.338 1.00 52.30 C ATOM 2225 O GLU B 185 -2.423 16.473 16.587 1.00 35.24 O ATOM 2226 CB GLU B 185 -3.845 14.252 14.235 1.00 52.32 C ATOM 2227 CG GLU B 185 -4.936 15.327 14.069 1.00 21.35 C ATOM 2228 CD GLU B 185 -4.472 16.538 13.251 1.00 1.44 C ATOM 2229 OE1 GLU B 185 -4.160 16.358 12.052 1.00 1.25 O ATOM 2230 OE2 GLU B 185 -4.419 17.661 13.809 1.00 23.23 O ATOM 0 H GLU B 185 -2.331 12.805 15.758 1.00 14.45 H new ATOM 0 HA GLU B 185 -2.101 15.412 14.337 1.00 53.20 H new ATOM 0 HB2 GLU B 185 -3.539 13.911 13.246 1.00 52.32 H new ATOM 0 HB3 GLU B 185 -4.277 13.393 14.749 1.00 52.32 H new ATOM 0 HG2 GLU B 185 -5.805 14.881 13.585 1.00 21.35 H new ATOM 0 HG3 GLU B 185 -5.258 15.664 15.054 1.00 21.35 H new TER 2237 GLU B 185