USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot -96:sc= 0.0651 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.0259 K(o=0.039,f=-0.76) USER MOD Set 2.1: A 10 THR OG1 : rot -163:sc= -1.95! USER MOD Set 2.2: A 13 GLN :FLIP amide:sc= 0 F(o=-2.8,f=-1.9) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.07) USER MOD Single : A 9 MET CE :methyl -166:sc= -0.0302 (180deg=-0.31) USER MOD Single : A 16 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.053) USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.87 USER MOD Single : A 18 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-1.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -179:sc= 0.772 USER MOD Single : A 29 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.3) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -163:sc= -0.0906 (180deg=-0.516) USER MOD Single : A 39 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.014) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 48 ASN : amide:sc= 0.386 K(o=0.39,f=-0.19) USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.13 F(o=-0.58,f=0.13) USER MOD Single : A 53 ASN : amide:sc= -0.902 K(o=-0.9,f=-2.7) USER MOD Single : A 62 ASN : amide:sc= 0.615 K(o=0.61,f=0.025) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.567 6.451 -2.876 1.00 21.40 N ATOM 74 CA PHE A 5 -6.120 5.141 -2.390 1.00 54.24 C ATOM 75 C PHE A 5 -7.219 4.419 -1.596 1.00 14.40 C ATOM 76 O PHE A 5 -7.754 4.953 -0.616 1.00 20.23 O ATOM 77 CB PHE A 5 -4.872 5.305 -1.516 1.00 33.33 C ATOM 78 CG PHE A 5 -3.709 5.939 -2.238 1.00 44.23 C ATOM 79 CD1 PHE A 5 -3.561 7.319 -2.268 1.00 52.43 C ATOM 80 CD2 PHE A 5 -2.768 5.156 -2.890 1.00 53.22 C ATOM 81 CE1 PHE A 5 -2.499 7.903 -2.935 1.00 1.13 C ATOM 82 CE2 PHE A 5 -1.704 5.735 -3.555 1.00 2.42 C ATOM 83 CZ PHE A 5 -1.570 7.110 -3.577 1.00 51.44 C ATOM 0 HA PHE A 5 -5.883 4.530 -3.261 1.00 54.24 H new ATOM 0 HB2 PHE A 5 -5.124 5.913 -0.647 1.00 33.33 H new ATOM 0 HB3 PHE A 5 -4.568 4.327 -1.144 1.00 33.33 H new ATOM 0 HD1 PHE A 5 -4.284 7.944 -1.765 1.00 52.43 H new ATOM 0 HD2 PHE A 5 -2.868 4.081 -2.878 1.00 53.22 H new ATOM 0 HE1 PHE A 5 -2.397 8.978 -2.953 1.00 1.13 H new ATOM 0 HE2 PHE A 5 -0.978 5.113 -4.057 1.00 2.42 H new ATOM 0 HZ PHE A 5 -0.739 7.564 -4.096 1.00 51.44 H new ATOM 93 N THR A 6 -7.540 3.199 -2.023 1.00 22.34 N ATOM 94 CA THR A 6 -8.552 2.360 -1.354 1.00 43.24 C ATOM 95 C THR A 6 -7.980 0.987 -0.968 1.00 31.40 C ATOM 96 O THR A 6 -6.960 0.555 -1.496 1.00 32.55 O ATOM 97 CB THR A 6 -9.802 2.143 -2.246 1.00 35.22 C ATOM 98 OG1 THR A 6 -10.697 1.198 -1.631 1.00 53.22 O ATOM 99 CG2 THR A 6 -9.413 1.642 -3.636 1.00 41.13 C ATOM 0 H THR A 6 -7.112 2.759 -2.838 1.00 22.34 H new ATOM 0 HA THR A 6 -8.845 2.899 -0.453 1.00 43.24 H new ATOM 0 HB THR A 6 -10.302 3.106 -2.352 1.00 35.22 H new ATOM 0 HG1 THR A 6 -11.482 1.071 -2.203 1.00 53.22 H new ATOM 0 HG21 THR A 6 -10.312 1.500 -4.236 1.00 41.13 H new ATOM 0 HG22 THR A 6 -8.766 2.374 -4.119 1.00 41.13 H new ATOM 0 HG23 THR A 6 -8.883 0.694 -3.546 1.00 41.13 H new ATOM 107 N LYS A 7 -8.652 0.294 -0.052 1.00 23.45 N ATOM 108 CA LYS A 7 -8.184 -1.018 0.423 1.00 63.35 C ATOM 109 C LYS A 7 -8.187 -2.078 -0.693 1.00 35.11 C ATOM 110 O LYS A 7 -7.391 -3.023 -0.670 1.00 4.11 O ATOM 111 CB LYS A 7 -9.068 -1.506 1.582 1.00 41.22 C ATOM 112 CG LYS A 7 -10.552 -1.608 1.219 1.00 34.44 C ATOM 113 CD LYS A 7 -11.342 -2.414 2.247 1.00 50.31 C ATOM 114 CE LYS A 7 -11.262 -1.808 3.644 1.00 33.24 C ATOM 115 NZ LYS A 7 -11.940 -2.663 4.649 1.00 41.21 N ATOM 0 H LYS A 7 -9.520 0.612 0.379 1.00 23.45 H new ATOM 0 HA LYS A 7 -7.156 -0.886 0.760 1.00 63.35 H new ATOM 0 HB2 LYS A 7 -8.715 -2.483 1.911 1.00 41.22 H new ATOM 0 HB3 LYS A 7 -8.955 -0.826 2.426 1.00 41.22 H new ATOM 0 HG2 LYS A 7 -10.975 -0.607 1.142 1.00 34.44 H new ATOM 0 HG3 LYS A 7 -10.654 -2.074 0.239 1.00 34.44 H new ATOM 0 HD2 LYS A 7 -12.386 -2.470 1.937 1.00 50.31 H new ATOM 0 HD3 LYS A 7 -10.962 -3.435 2.274 1.00 50.31 H new ATOM 0 HE2 LYS A 7 -10.217 -1.675 3.924 1.00 33.24 H new ATOM 0 HE3 LYS A 7 -11.719 -0.819 3.639 1.00 33.24 H new ATOM 0 HZ1 LYS A 7 -11.911 -2.197 5.578 1.00 41.21 H new ATOM 0 HZ2 LYS A 7 -12.930 -2.811 4.367 1.00 41.21 H new ATOM 0 HZ3 LYS A 7 -11.455 -3.581 4.707 1.00 41.21 H new ATOM 129 N ASP A 8 -9.080 -1.911 -1.667 1.00 42.45 N ATOM 130 CA ASP A 8 -9.322 -2.937 -2.691 1.00 5.04 C ATOM 131 C ASP A 8 -8.473 -2.721 -3.964 1.00 63.15 C ATOM 132 O ASP A 8 -8.609 -3.460 -4.939 1.00 30.14 O ATOM 133 CB ASP A 8 -10.820 -2.958 -3.032 1.00 42.04 C ATOM 134 CG ASP A 8 -11.250 -4.238 -3.734 1.00 15.43 C ATOM 135 OD1 ASP A 8 -11.260 -5.303 -3.082 1.00 14.13 O ATOM 136 OD2 ASP A 8 -11.599 -4.184 -4.932 1.00 0.41 O ATOM 0 H ASP A 8 -9.652 -1.073 -1.772 1.00 42.45 H new ATOM 0 HA ASP A 8 -9.017 -3.901 -2.283 1.00 5.04 H new ATOM 0 HB2 ASP A 8 -11.398 -2.841 -2.115 1.00 42.04 H new ATOM 0 HB3 ASP A 8 -11.055 -2.104 -3.668 1.00 42.04 H new ATOM 141 N MET A 9 -7.589 -1.721 -3.955 1.00 50.41 N ATOM 142 CA MET A 9 -6.708 -1.465 -5.105 1.00 42.42 C ATOM 143 C MET A 9 -5.354 -2.166 -4.919 1.00 43.33 C ATOM 144 O MET A 9 -4.918 -2.402 -3.791 1.00 45.34 O ATOM 145 CB MET A 9 -6.501 0.043 -5.311 1.00 62.43 C ATOM 146 CG MET A 9 -5.680 0.714 -4.219 1.00 32.44 C ATOM 147 SD MET A 9 -5.661 2.513 -4.359 1.00 63.22 S ATOM 148 CE MET A 9 -4.890 2.729 -5.962 1.00 35.41 C ATOM 0 H MET A 9 -7.462 -1.078 -3.173 1.00 50.41 H new ATOM 0 HA MET A 9 -7.191 -1.871 -5.994 1.00 42.42 H new ATOM 0 HB2 MET A 9 -6.009 0.203 -6.270 1.00 62.43 H new ATOM 0 HB3 MET A 9 -7.476 0.528 -5.367 1.00 62.43 H new ATOM 0 HG2 MET A 9 -6.083 0.435 -3.245 1.00 32.44 H new ATOM 0 HG3 MET A 9 -4.657 0.341 -4.260 1.00 32.44 H new ATOM 0 HE1 MET A 9 -4.584 3.768 -6.081 1.00 35.41 H new ATOM 0 HE2 MET A 9 -4.016 2.082 -6.035 1.00 35.41 H new ATOM 0 HE3 MET A 9 -5.601 2.468 -6.746 1.00 35.41 H new ATOM 158 N THR A 10 -4.691 -2.493 -6.026 1.00 32.52 N ATOM 159 CA THR A 10 -3.412 -3.220 -5.974 1.00 2.43 C ATOM 160 C THR A 10 -2.243 -2.311 -5.569 1.00 30.44 C ATOM 161 O THR A 10 -2.263 -1.100 -5.815 1.00 73.22 O ATOM 162 CB THR A 10 -3.062 -3.873 -7.333 1.00 72.34 C ATOM 163 OG1 THR A 10 -2.789 -2.860 -8.314 1.00 74.21 O ATOM 164 CG2 THR A 10 -4.196 -4.765 -7.827 1.00 3.22 C ATOM 0 H THR A 10 -5.011 -2.270 -6.968 1.00 32.52 H new ATOM 0 HA THR A 10 -3.550 -3.993 -5.218 1.00 2.43 H new ATOM 0 HB THR A 10 -2.175 -4.490 -7.186 1.00 72.34 H new ATOM 0 HG1 THR A 10 -2.835 -3.252 -9.211 1.00 74.21 H new ATOM 0 HG21 THR A 10 -3.920 -5.209 -8.783 1.00 3.22 H new ATOM 0 HG22 THR A 10 -4.380 -5.556 -7.100 1.00 3.22 H new ATOM 0 HG23 THR A 10 -5.100 -4.169 -7.952 1.00 3.22 H new ATOM 172 N PHE A 11 -1.219 -2.906 -4.952 1.00 70.45 N ATOM 173 CA PHE A 11 0.007 -2.175 -4.604 1.00 43.14 C ATOM 174 C PHE A 11 0.619 -1.486 -5.835 1.00 42.42 C ATOM 175 O PHE A 11 1.133 -0.369 -5.743 1.00 43.14 O ATOM 176 CB PHE A 11 1.040 -3.126 -3.971 1.00 13.01 C ATOM 177 CG PHE A 11 0.651 -3.638 -2.604 1.00 5.22 C ATOM 178 CD1 PHE A 11 -0.116 -4.785 -2.466 1.00 11.34 C ATOM 179 CD2 PHE A 11 1.056 -2.970 -1.455 1.00 11.24 C ATOM 180 CE1 PHE A 11 -0.470 -5.256 -1.216 1.00 14.32 C ATOM 181 CE2 PHE A 11 0.705 -3.438 -0.202 1.00 20.25 C ATOM 182 CZ PHE A 11 -0.060 -4.581 -0.083 1.00 2.23 C ATOM 0 H PHE A 11 -1.212 -3.890 -4.683 1.00 70.45 H new ATOM 0 HA PHE A 11 -0.263 -1.405 -3.881 1.00 43.14 H new ATOM 0 HB2 PHE A 11 1.191 -3.976 -4.636 1.00 13.01 H new ATOM 0 HB3 PHE A 11 1.996 -2.608 -3.895 1.00 13.01 H new ATOM 0 HD1 PHE A 11 -0.441 -5.318 -3.348 1.00 11.34 H new ATOM 0 HD2 PHE A 11 1.653 -2.074 -1.542 1.00 11.24 H new ATOM 0 HE1 PHE A 11 -1.067 -6.151 -1.125 1.00 14.32 H new ATOM 0 HE2 PHE A 11 1.029 -2.910 0.683 1.00 20.25 H new ATOM 0 HZ PHE A 11 -0.337 -4.947 0.895 1.00 2.23 H new ATOM 192 N ALA A 12 0.552 -2.156 -6.984 1.00 53.22 N ATOM 193 CA ALA A 12 1.055 -1.594 -8.241 1.00 40.32 C ATOM 194 C ALA A 12 0.382 -0.249 -8.567 1.00 51.14 C ATOM 195 O ALA A 12 1.060 0.749 -8.817 1.00 45.22 O ATOM 196 CB ALA A 12 0.847 -2.588 -9.378 1.00 61.22 C ATOM 0 H ALA A 12 0.154 -3.091 -7.073 1.00 53.22 H new ATOM 0 HA ALA A 12 2.122 -1.406 -8.124 1.00 40.32 H new ATOM 0 HB1 ALA A 12 1.224 -2.161 -10.308 1.00 61.22 H new ATOM 0 HB2 ALA A 12 1.385 -3.510 -9.158 1.00 61.22 H new ATOM 0 HB3 ALA A 12 -0.216 -2.804 -9.483 1.00 61.22 H new ATOM 202 N GLN A 13 -0.953 -0.228 -8.534 1.00 10.32 N ATOM 203 CA GLN A 13 -1.718 0.999 -8.805 1.00 11.05 C ATOM 204 C GLN A 13 -1.316 2.131 -7.848 1.00 31.05 C ATOM 205 O GLN A 13 -1.156 3.282 -8.263 1.00 63.24 O ATOM 206 CB GLN A 13 -3.224 0.734 -8.677 1.00 74.31 C ATOM 207 CG GLN A 13 -3.761 -0.307 -9.654 1.00 35.53 C ATOM 208 CD GLN A 13 -5.246 -0.579 -9.465 1.00 21.12 C ATOM 209 OE1 GLN A 13 -5.999 0.439 -9.086 1.00 12.54 O flip ATOM 210 NE2 GLN A 13 -5.718 -1.692 -9.671 1.00 72.45 N flip ATOM 0 H GLN A 13 -1.529 -1.043 -8.323 1.00 10.32 H new ATOM 0 HA GLN A 13 -1.489 1.308 -9.825 1.00 11.05 H new ATOM 0 HB2 GLN A 13 -3.439 0.406 -7.660 1.00 74.31 H new ATOM 0 HB3 GLN A 13 -3.761 1.670 -8.830 1.00 74.31 H new ATOM 0 HG2 GLN A 13 -3.585 0.034 -10.674 1.00 35.53 H new ATOM 0 HG3 GLN A 13 -3.207 -1.237 -9.529 1.00 35.53 H new ATOM 0 HE21 GLN A 13 -5.110 -2.458 -9.963 1.00 72.45 H new ATOM 0 HE22 GLN A 13 -6.718 -1.852 -9.551 1.00 72.45 H new ATOM 219 N ALA A 14 -1.156 1.798 -6.567 1.00 53.54 N ATOM 220 CA ALA A 14 -0.731 2.773 -5.558 1.00 54.54 C ATOM 221 C ALA A 14 0.612 3.414 -5.937 1.00 11.20 C ATOM 222 O ALA A 14 0.751 4.643 -5.948 1.00 72.03 O ATOM 223 CB ALA A 14 -0.639 2.108 -4.189 1.00 64.14 C ATOM 0 H ALA A 14 -1.314 0.859 -6.201 1.00 53.54 H new ATOM 0 HA ALA A 14 -1.478 3.565 -5.515 1.00 54.54 H new ATOM 0 HB1 ALA A 14 -0.322 2.842 -3.448 1.00 64.14 H new ATOM 0 HB2 ALA A 14 -1.615 1.710 -3.911 1.00 64.14 H new ATOM 0 HB3 ALA A 14 0.086 1.295 -4.227 1.00 64.14 H new ATOM 229 N LEU A 15 1.591 2.575 -6.269 1.00 34.22 N ATOM 230 CA LEU A 15 2.914 3.049 -6.699 1.00 15.02 C ATOM 231 C LEU A 15 2.820 3.912 -7.972 1.00 51.31 C ATOM 232 O LEU A 15 3.500 4.930 -8.092 1.00 64.20 O ATOM 233 CB LEU A 15 3.849 1.855 -6.942 1.00 73.10 C ATOM 234 CG LEU A 15 4.114 0.965 -5.713 1.00 22.23 C ATOM 235 CD1 LEU A 15 4.984 -0.233 -6.089 1.00 23.32 C ATOM 236 CD2 LEU A 15 4.766 1.772 -4.593 1.00 14.14 C ATOM 0 H LEU A 15 1.497 1.560 -6.250 1.00 34.22 H new ATOM 0 HA LEU A 15 3.320 3.671 -5.902 1.00 15.02 H new ATOM 0 HB2 LEU A 15 3.424 1.237 -7.733 1.00 73.10 H new ATOM 0 HB3 LEU A 15 4.804 2.231 -7.310 1.00 73.10 H new ATOM 0 HG LEU A 15 3.156 0.591 -5.352 1.00 22.23 H new ATOM 0 HD11 LEU A 15 5.158 -0.848 -5.206 1.00 23.32 H new ATOM 0 HD12 LEU A 15 4.477 -0.826 -6.850 1.00 23.32 H new ATOM 0 HD13 LEU A 15 5.939 0.119 -6.480 1.00 23.32 H new ATOM 0 HD21 LEU A 15 4.945 1.125 -3.734 1.00 14.14 H new ATOM 0 HD22 LEU A 15 5.714 2.180 -4.943 1.00 14.14 H new ATOM 0 HD23 LEU A 15 4.105 2.588 -4.301 1.00 14.14 H new ATOM 248 N GLN A 16 1.966 3.501 -8.915 1.00 25.35 N ATOM 249 CA GLN A 16 1.777 4.244 -10.170 1.00 23.11 C ATOM 250 C GLN A 16 1.083 5.598 -9.939 1.00 21.31 C ATOM 251 O GLN A 16 1.110 6.473 -10.807 1.00 71.25 O ATOM 252 CB GLN A 16 0.961 3.404 -11.170 1.00 33.53 C ATOM 253 CG GLN A 16 1.645 2.107 -11.599 1.00 11.10 C ATOM 254 CD GLN A 16 2.980 2.339 -12.288 1.00 51.53 C ATOM 255 OE1 GLN A 16 3.053 2.490 -13.503 1.00 15.03 O ATOM 256 NE2 GLN A 16 4.049 2.365 -11.519 1.00 64.33 N ATOM 0 H GLN A 16 1.395 2.660 -8.836 1.00 25.35 H new ATOM 0 HA GLN A 16 2.767 4.442 -10.581 1.00 23.11 H new ATOM 0 HB2 GLN A 16 -0.004 3.163 -10.723 1.00 33.53 H new ATOM 0 HB3 GLN A 16 0.761 4.007 -12.056 1.00 33.53 H new ATOM 0 HG2 GLN A 16 1.799 1.477 -10.723 1.00 11.10 H new ATOM 0 HG3 GLN A 16 0.985 1.560 -12.272 1.00 11.10 H new ATOM 0 HE21 GLN A 16 3.956 2.236 -10.511 1.00 64.33 H new ATOM 0 HE22 GLN A 16 4.970 2.514 -11.931 1.00 64.33 H new ATOM 265 N THR A 17 0.456 5.762 -8.775 1.00 74.21 N ATOM 266 CA THR A 17 -0.215 7.021 -8.430 1.00 2.24 C ATOM 267 C THR A 17 0.783 8.054 -7.878 1.00 1.44 C ATOM 268 O THR A 17 0.847 9.185 -8.359 1.00 73.43 O ATOM 269 CB THR A 17 -1.347 6.796 -7.397 1.00 51.41 C ATOM 270 OG1 THR A 17 -2.323 5.882 -7.929 1.00 50.11 O ATOM 271 CG2 THR A 17 -2.030 8.108 -7.024 1.00 51.02 C ATOM 0 H THR A 17 0.397 5.043 -8.054 1.00 74.21 H new ATOM 0 HA THR A 17 -0.652 7.407 -9.351 1.00 2.24 H new ATOM 0 HB THR A 17 -0.898 6.375 -6.497 1.00 51.41 H new ATOM 0 HG1 THR A 17 -1.920 4.994 -8.026 1.00 50.11 H new ATOM 0 HG21 THR A 17 -2.819 7.914 -6.298 1.00 51.02 H new ATOM 0 HG22 THR A 17 -1.298 8.789 -6.591 1.00 51.02 H new ATOM 0 HG23 THR A 17 -2.462 8.560 -7.917 1.00 51.02 H new ATOM 279 N HIS A 18 1.557 7.665 -6.860 1.00 22.31 N ATOM 280 CA HIS A 18 2.582 8.547 -6.268 1.00 71.43 C ATOM 281 C HIS A 18 3.812 7.741 -5.811 1.00 63.34 C ATOM 282 O HIS A 18 3.678 6.763 -5.083 1.00 50.13 O ATOM 283 CB HIS A 18 2.010 9.337 -5.078 1.00 44.24 C ATOM 284 CG HIS A 18 0.999 10.381 -5.463 1.00 53.54 C ATOM 285 ND1 HIS A 18 -0.313 10.359 -5.035 1.00 74.24 N ATOM 286 CD2 HIS A 18 1.119 11.495 -6.228 1.00 34.31 C ATOM 287 CE1 HIS A 18 -0.952 11.408 -5.520 1.00 24.05 C ATOM 288 NE2 HIS A 18 -0.109 12.108 -6.243 1.00 40.12 N ATOM 0 H HIS A 18 1.497 6.745 -6.424 1.00 22.31 H new ATOM 0 HA HIS A 18 2.891 9.250 -7.042 1.00 71.43 H new ATOM 0 HB2 HIS A 18 1.547 8.638 -4.381 1.00 44.24 H new ATOM 0 HB3 HIS A 18 2.831 9.820 -4.548 1.00 44.24 H new ATOM 0 HD2 HIS A 18 2.012 11.835 -6.730 1.00 34.31 H new ATOM 0 HE1 HIS A 18 -1.991 11.649 -5.351 1.00 24.05 H new ATOM 0 HE2 HIS A 18 -0.332 12.972 -6.738 1.00 40.12 H new ATOM 297 N PRO A 19 5.029 8.150 -6.222 1.00 74.20 N ATOM 298 CA PRO A 19 6.280 7.459 -5.837 1.00 14.02 C ATOM 299 C PRO A 19 6.456 7.310 -4.314 1.00 65.22 C ATOM 300 O PRO A 19 6.983 6.301 -3.836 1.00 72.30 O ATOM 301 CB PRO A 19 7.377 8.363 -6.417 1.00 40.43 C ATOM 302 CG PRO A 19 6.716 9.083 -7.543 1.00 11.14 C ATOM 303 CD PRO A 19 5.292 9.301 -7.107 1.00 11.14 C ATOM 0 HA PRO A 19 6.298 6.435 -6.211 1.00 14.02 H new ATOM 0 HB2 PRO A 19 7.754 9.060 -5.668 1.00 40.43 H new ATOM 0 HB3 PRO A 19 8.229 7.779 -6.766 1.00 40.43 H new ATOM 0 HG2 PRO A 19 7.213 10.032 -7.746 1.00 11.14 H new ATOM 0 HG3 PRO A 19 6.759 8.497 -8.461 1.00 11.14 H new ATOM 0 HD2 PRO A 19 5.173 10.248 -6.581 1.00 11.14 H new ATOM 0 HD3 PRO A 19 4.609 9.320 -7.957 1.00 11.14 H new ATOM 311 N GLY A 20 6.000 8.315 -3.558 1.00 1.30 N ATOM 312 CA GLY A 20 6.117 8.295 -2.097 1.00 62.43 C ATOM 313 C GLY A 20 5.461 7.083 -1.438 1.00 31.05 C ATOM 314 O GLY A 20 5.774 6.747 -0.293 1.00 63.43 O ATOM 0 H GLY A 20 5.548 9.149 -3.933 1.00 1.30 H new ATOM 0 HA2 GLY A 20 7.173 8.315 -1.827 1.00 62.43 H new ATOM 0 HA3 GLY A 20 5.667 9.203 -1.694 1.00 62.43 H new ATOM 318 N VAL A 21 4.555 6.423 -2.159 1.00 45.32 N ATOM 319 CA VAL A 21 3.888 5.221 -1.651 1.00 33.22 C ATOM 320 C VAL A 21 4.910 4.127 -1.299 1.00 22.42 C ATOM 321 O VAL A 21 4.709 3.356 -0.361 1.00 20.32 O ATOM 322 CB VAL A 21 2.864 4.675 -2.678 1.00 4.24 C ATOM 323 CG1 VAL A 21 2.216 3.383 -2.186 1.00 1.25 C ATOM 324 CG2 VAL A 21 1.798 5.727 -2.978 1.00 61.11 C ATOM 0 H VAL A 21 4.265 6.699 -3.097 1.00 45.32 H new ATOM 0 HA VAL A 21 3.355 5.504 -0.744 1.00 33.22 H new ATOM 0 HB VAL A 21 3.402 4.448 -3.598 1.00 4.24 H new ATOM 0 HG11 VAL A 21 1.503 3.027 -2.930 1.00 1.25 H new ATOM 0 HG12 VAL A 21 2.985 2.627 -2.030 1.00 1.25 H new ATOM 0 HG13 VAL A 21 1.696 3.571 -1.247 1.00 1.25 H new ATOM 0 HG21 VAL A 21 1.086 5.328 -3.701 1.00 61.11 H new ATOM 0 HG22 VAL A 21 1.274 5.986 -2.058 1.00 61.11 H new ATOM 0 HG23 VAL A 21 2.272 6.618 -3.389 1.00 61.11 H new ATOM 334 N ALA A 22 6.019 4.082 -2.040 1.00 53.21 N ATOM 335 CA ALA A 22 7.089 3.112 -1.777 1.00 33.01 C ATOM 336 C ALA A 22 7.651 3.273 -0.355 1.00 1.22 C ATOM 337 O ALA A 22 7.794 2.294 0.386 1.00 42.51 O ATOM 338 CB ALA A 22 8.202 3.259 -2.809 1.00 64.31 C ATOM 0 H ALA A 22 6.201 4.705 -2.827 1.00 53.21 H new ATOM 0 HA ALA A 22 6.664 2.112 -1.857 1.00 33.01 H new ATOM 0 HB1 ALA A 22 8.989 2.534 -2.602 1.00 64.31 H new ATOM 0 HB2 ALA A 22 7.799 3.082 -3.806 1.00 64.31 H new ATOM 0 HB3 ALA A 22 8.615 4.266 -2.758 1.00 64.31 H new ATOM 344 N GLY A 23 7.960 4.514 0.021 1.00 21.44 N ATOM 345 CA GLY A 23 8.452 4.796 1.364 1.00 63.31 C ATOM 346 C GLY A 23 7.427 4.485 2.451 1.00 55.22 C ATOM 347 O GLY A 23 7.775 3.961 3.513 1.00 23.10 O ATOM 0 H GLY A 23 7.878 5.332 -0.582 1.00 21.44 H new ATOM 0 HA2 GLY A 23 9.354 4.212 1.545 1.00 63.31 H new ATOM 0 HA3 GLY A 23 8.735 5.847 1.428 1.00 63.31 H new ATOM 351 N VAL A 24 6.159 4.810 2.189 1.00 2.15 N ATOM 352 CA VAL A 24 5.071 4.516 3.131 1.00 4.54 C ATOM 353 C VAL A 24 4.915 3.001 3.345 1.00 41.13 C ATOM 354 O VAL A 24 4.889 2.524 4.479 1.00 2.34 O ATOM 355 CB VAL A 24 3.722 5.102 2.641 1.00 41.34 C ATOM 356 CG1 VAL A 24 2.607 4.821 3.647 1.00 32.33 C ATOM 357 CG2 VAL A 24 3.848 6.602 2.373 1.00 74.04 C ATOM 0 H VAL A 24 5.858 5.277 1.333 1.00 2.15 H new ATOM 0 HA VAL A 24 5.338 4.987 4.077 1.00 4.54 H new ATOM 0 HB VAL A 24 3.461 4.611 1.704 1.00 41.34 H new ATOM 0 HG11 VAL A 24 1.671 5.242 3.280 1.00 32.33 H new ATOM 0 HG12 VAL A 24 2.495 3.744 3.775 1.00 32.33 H new ATOM 0 HG13 VAL A 24 2.858 5.276 4.605 1.00 32.33 H new ATOM 0 HG21 VAL A 24 2.890 6.992 2.030 1.00 74.04 H new ATOM 0 HG22 VAL A 24 4.140 7.112 3.291 1.00 74.04 H new ATOM 0 HG23 VAL A 24 4.604 6.772 1.607 1.00 74.04 H new ATOM 367 N LEU A 25 4.827 2.246 2.253 1.00 32.12 N ATOM 368 CA LEU A 25 4.708 0.787 2.333 1.00 14.34 C ATOM 369 C LEU A 25 5.881 0.178 3.117 1.00 63.31 C ATOM 370 O LEU A 25 5.681 -0.644 4.008 1.00 11.12 O ATOM 371 CB LEU A 25 4.621 0.175 0.927 1.00 1.05 C ATOM 372 CG LEU A 25 3.381 0.587 0.114 1.00 41.44 C ATOM 373 CD1 LEU A 25 3.422 -0.020 -1.286 1.00 41.15 C ATOM 374 CD2 LEU A 25 2.097 0.189 0.843 1.00 2.22 C ATOM 0 H LEU A 25 4.836 2.616 1.303 1.00 32.12 H new ATOM 0 HA LEU A 25 3.789 0.553 2.870 1.00 14.34 H new ATOM 0 HB2 LEU A 25 5.513 0.457 0.368 1.00 1.05 H new ATOM 0 HB3 LEU A 25 4.633 -0.911 1.018 1.00 1.05 H new ATOM 0 HG LEU A 25 3.389 1.672 0.011 1.00 41.44 H new ATOM 0 HD11 LEU A 25 2.535 0.286 -1.841 1.00 41.15 H new ATOM 0 HD12 LEU A 25 4.314 0.327 -1.807 1.00 41.15 H new ATOM 0 HD13 LEU A 25 3.446 -1.107 -1.211 1.00 41.15 H new ATOM 0 HD21 LEU A 25 1.234 0.490 0.250 1.00 2.22 H new ATOM 0 HD22 LEU A 25 2.080 -0.891 0.986 1.00 2.22 H new ATOM 0 HD23 LEU A 25 2.061 0.684 1.813 1.00 2.22 H new ATOM 386 N ARG A 26 7.106 0.602 2.801 1.00 54.11 N ATOM 387 CA ARG A 26 8.289 0.134 3.536 1.00 13.52 C ATOM 388 C ARG A 26 8.244 0.579 5.007 1.00 13.50 C ATOM 389 O ARG A 26 8.736 -0.124 5.890 1.00 50.23 O ATOM 390 CB ARG A 26 9.585 0.621 2.870 1.00 32.22 C ATOM 391 CG ARG A 26 9.801 0.056 1.469 1.00 53.00 C ATOM 392 CD ARG A 26 11.167 0.431 0.897 1.00 21.31 C ATOM 393 NE ARG A 26 12.267 -0.146 1.671 1.00 31.32 N ATOM 394 CZ ARG A 26 13.476 -0.343 1.206 1.00 3.41 C ATOM 395 NH1 ARG A 26 13.765 -0.085 -0.032 1.00 14.24 N ATOM 396 NH2 ARG A 26 14.395 -0.822 1.981 1.00 74.31 N ATOM 0 H ARG A 26 7.307 1.262 2.050 1.00 54.11 H new ATOM 0 HA ARG A 26 8.278 -0.956 3.509 1.00 13.52 H new ATOM 0 HB2 ARG A 26 9.569 1.710 2.815 1.00 32.22 H new ATOM 0 HB3 ARG A 26 10.432 0.346 3.498 1.00 32.22 H new ATOM 0 HG2 ARG A 26 9.708 -1.030 1.499 1.00 53.00 H new ATOM 0 HG3 ARG A 26 9.018 0.425 0.806 1.00 53.00 H new ATOM 0 HD2 ARG A 26 11.233 0.089 -0.136 1.00 21.31 H new ATOM 0 HD3 ARG A 26 11.267 1.516 0.880 1.00 21.31 H new ATOM 0 HE ARG A 26 12.080 -0.413 2.638 1.00 31.32 H new ATOM 0 HH11 ARG A 26 13.046 0.277 -0.659 1.00 14.24 H new ATOM 0 HH12 ARG A 26 14.711 -0.244 -0.379 1.00 14.24 H new ATOM 0 HH21 ARG A 26 14.178 -1.046 2.952 1.00 74.31 H new ATOM 0 HH22 ARG A 26 15.337 -0.976 1.621 1.00 74.31 H new ATOM 410 N SER A 27 7.637 1.741 5.263 1.00 24.40 N ATOM 411 CA SER A 27 7.433 2.231 6.638 1.00 22.41 C ATOM 412 C SER A 27 6.556 1.260 7.444 1.00 54.15 C ATOM 413 O SER A 27 6.690 1.147 8.663 1.00 14.42 O ATOM 414 CB SER A 27 6.783 3.624 6.626 1.00 20.21 C ATOM 415 OG SER A 27 6.578 4.113 7.945 1.00 0.54 O ATOM 0 H SER A 27 7.277 2.363 4.540 1.00 24.40 H new ATOM 0 HA SER A 27 8.411 2.298 7.114 1.00 22.41 H new ATOM 0 HB2 SER A 27 7.417 4.318 6.074 1.00 20.21 H new ATOM 0 HB3 SER A 27 5.829 3.577 6.101 1.00 20.21 H new ATOM 0 HG SER A 27 6.165 5.001 7.904 1.00 0.54 H new ATOM 421 N TYR A 28 5.649 0.573 6.751 1.00 53.24 N ATOM 422 CA TYR A 28 4.791 -0.451 7.369 1.00 35.11 C ATOM 423 C TYR A 28 5.351 -1.870 7.148 1.00 54.35 C ATOM 424 O TYR A 28 4.636 -2.857 7.296 1.00 74.34 O ATOM 425 CB TYR A 28 3.366 -0.346 6.799 1.00 23.31 C ATOM 426 CG TYR A 28 2.604 0.872 7.288 1.00 44.55 C ATOM 427 CD1 TYR A 28 2.888 2.144 6.800 1.00 41.23 C ATOM 428 CD2 TYR A 28 1.604 0.750 8.247 1.00 14.11 C ATOM 429 CE1 TYR A 28 2.198 3.254 7.251 1.00 40.40 C ATOM 430 CE2 TYR A 28 0.909 1.853 8.700 1.00 33.32 C ATOM 431 CZ TYR A 28 1.213 3.104 8.203 1.00 61.12 C ATOM 432 OH TYR A 28 0.522 4.207 8.655 1.00 22.05 O ATOM 0 H TYR A 28 5.485 0.705 5.753 1.00 53.24 H new ATOM 0 HA TYR A 28 4.768 -0.271 8.444 1.00 35.11 H new ATOM 0 HB2 TYR A 28 3.420 -0.317 5.711 1.00 23.31 H new ATOM 0 HB3 TYR A 28 2.809 -1.244 7.067 1.00 23.31 H new ATOM 0 HD1 TYR A 28 3.661 2.266 6.056 1.00 41.23 H new ATOM 0 HD2 TYR A 28 1.367 -0.226 8.644 1.00 14.11 H new ATOM 0 HE1 TYR A 28 2.430 4.233 6.859 1.00 40.40 H new ATOM 0 HE2 TYR A 28 0.131 1.738 9.440 1.00 33.32 H new ATOM 0 HH TYR A 28 -0.127 3.930 9.335 1.00 22.05 H new ATOM 442 N ASN A 29 6.640 -1.956 6.801 1.00 24.11 N ATOM 443 CA ASN A 29 7.321 -3.243 6.565 1.00 72.43 C ATOM 444 C ASN A 29 6.648 -4.048 5.430 1.00 65.15 C ATOM 445 O ASN A 29 6.706 -5.280 5.397 1.00 43.43 O ATOM 446 CB ASN A 29 7.369 -4.069 7.865 1.00 71.40 C ATOM 447 CG ASN A 29 8.375 -5.209 7.800 1.00 51.33 C ATOM 448 OD1 ASN A 29 9.386 -5.122 7.108 1.00 63.22 O ATOM 449 ND2 ASN A 29 8.117 -6.285 8.518 1.00 74.43 N ATOM 0 H ASN A 29 7.242 -1.142 6.675 1.00 24.11 H new ATOM 0 HA ASN A 29 8.341 -3.026 6.248 1.00 72.43 H new ATOM 0 HB2 ASN A 29 7.623 -3.413 8.698 1.00 71.40 H new ATOM 0 HB3 ASN A 29 6.378 -4.475 8.069 1.00 71.40 H new ATOM 0 HD21 ASN A 29 8.765 -7.073 8.508 1.00 74.43 H new ATOM 0 HD22 ASN A 29 7.269 -6.330 9.084 1.00 74.43 H new ATOM 456 N LEU A 30 6.032 -3.341 4.486 1.00 50.41 N ATOM 457 CA LEU A 30 5.386 -3.968 3.322 1.00 60.24 C ATOM 458 C LEU A 30 6.310 -3.952 2.088 1.00 43.24 C ATOM 459 O LEU A 30 5.900 -4.327 0.994 1.00 22.02 O ATOM 460 CB LEU A 30 4.077 -3.233 2.986 1.00 63.04 C ATOM 461 CG LEU A 30 3.049 -3.142 4.128 1.00 51.33 C ATOM 462 CD1 LEU A 30 1.848 -2.295 3.709 1.00 25.01 C ATOM 463 CD2 LEU A 30 2.602 -4.536 4.569 1.00 1.15 C ATOM 0 H LEU A 30 5.963 -2.323 4.500 1.00 50.41 H new ATOM 0 HA LEU A 30 5.173 -5.005 3.580 1.00 60.24 H new ATOM 0 HB2 LEU A 30 4.323 -2.222 2.662 1.00 63.04 H new ATOM 0 HB3 LEU A 30 3.608 -3.734 2.139 1.00 63.04 H new ATOM 0 HG LEU A 30 3.528 -2.656 4.978 1.00 51.33 H new ATOM 0 HD11 LEU A 30 1.134 -2.244 4.531 1.00 25.01 H new ATOM 0 HD12 LEU A 30 2.183 -1.289 3.456 1.00 25.01 H new ATOM 0 HD13 LEU A 30 1.369 -2.747 2.840 1.00 25.01 H new ATOM 0 HD21 LEU A 30 1.876 -4.447 5.377 1.00 1.15 H new ATOM 0 HD22 LEU A 30 2.145 -5.055 3.726 1.00 1.15 H new ATOM 0 HD23 LEU A 30 3.466 -5.101 4.919 1.00 1.15 H new ATOM 475 N GLY A 31 7.559 -3.530 2.273 1.00 42.41 N ATOM 476 CA GLY A 31 8.480 -3.371 1.146 1.00 4.03 C ATOM 477 C GLY A 31 8.722 -4.652 0.347 1.00 52.03 C ATOM 478 O GLY A 31 9.015 -4.595 -0.852 1.00 52.54 O ATOM 0 H GLY A 31 7.955 -3.294 3.183 1.00 42.41 H new ATOM 0 HA2 GLY A 31 8.087 -2.607 0.475 1.00 4.03 H new ATOM 0 HA3 GLY A 31 9.435 -3.005 1.521 1.00 4.03 H new ATOM 482 N CYS A 32 8.587 -5.805 0.998 1.00 35.14 N ATOM 483 CA CYS A 32 8.833 -7.101 0.345 1.00 41.45 C ATOM 484 C CYS A 32 7.712 -7.502 -0.633 1.00 62.15 C ATOM 485 O CYS A 32 7.749 -8.591 -1.211 1.00 52.03 O ATOM 486 CB CYS A 32 9.030 -8.201 1.395 1.00 31.14 C ATOM 487 SG CYS A 32 10.524 -8.003 2.399 1.00 44.34 S ATOM 0 H CYS A 32 8.309 -5.875 1.977 1.00 35.14 H new ATOM 0 HA CYS A 32 9.744 -6.985 -0.242 1.00 41.45 H new ATOM 0 HB2 CYS A 32 8.162 -8.220 2.054 1.00 31.14 H new ATOM 0 HB3 CYS A 32 9.069 -9.167 0.891 1.00 31.14 H new ATOM 0 HG CYS A 32 10.602 -8.977 3.257 1.00 44.34 H new ATOM 493 N ILE A 33 6.721 -6.628 -0.827 1.00 11.44 N ATOM 494 CA ILE A 33 5.647 -6.879 -1.803 1.00 43.41 C ATOM 495 C ILE A 33 6.206 -7.230 -3.192 1.00 41.25 C ATOM 496 O ILE A 33 5.646 -8.068 -3.904 1.00 12.32 O ATOM 497 CB ILE A 33 4.691 -5.665 -1.939 1.00 11.25 C ATOM 498 CG1 ILE A 33 5.495 -4.374 -2.171 1.00 13.31 C ATOM 499 CG2 ILE A 33 3.789 -5.546 -0.711 1.00 70.02 C ATOM 500 CD1 ILE A 33 4.637 -3.147 -2.378 1.00 52.23 C ATOM 0 H ILE A 33 6.636 -5.744 -0.326 1.00 11.44 H new ATOM 0 HA ILE A 33 5.087 -7.731 -1.417 1.00 43.41 H new ATOM 0 HB ILE A 33 4.049 -5.822 -2.806 1.00 11.25 H new ATOM 0 HG12 ILE A 33 6.150 -4.207 -1.316 1.00 13.31 H new ATOM 0 HG13 ILE A 33 6.136 -4.508 -3.042 1.00 13.31 H new ATOM 0 HG21 ILE A 33 3.127 -4.688 -0.828 1.00 70.02 H new ATOM 0 HG22 ILE A 33 3.193 -6.453 -0.608 1.00 70.02 H new ATOM 0 HG23 ILE A 33 4.403 -5.412 0.180 1.00 70.02 H new ATOM 0 HD11 ILE A 33 5.276 -2.278 -2.535 1.00 52.23 H new ATOM 0 HD12 ILE A 33 4.000 -3.291 -3.251 1.00 52.23 H new ATOM 0 HD13 ILE A 33 4.015 -2.985 -1.498 1.00 52.23 H new ATOM 512 N GLY A 34 7.314 -6.592 -3.568 1.00 43.45 N ATOM 513 CA GLY A 34 7.955 -6.882 -4.848 1.00 41.13 C ATOM 514 C GLY A 34 8.598 -8.267 -4.892 1.00 42.52 C ATOM 515 O GLY A 34 8.744 -8.861 -5.960 1.00 4.43 O ATOM 0 H GLY A 34 7.782 -5.878 -3.010 1.00 43.45 H new ATOM 0 HA2 GLY A 34 7.215 -6.805 -5.645 1.00 41.13 H new ATOM 0 HA3 GLY A 34 8.716 -6.127 -5.046 1.00 41.13 H new ATOM 519 N CYS A 35 8.980 -8.781 -3.725 1.00 33.41 N ATOM 520 CA CYS A 35 9.583 -10.118 -3.613 1.00 13.30 C ATOM 521 C CYS A 35 8.514 -11.221 -3.592 1.00 1.35 C ATOM 522 O CYS A 35 8.672 -12.266 -4.221 1.00 64.41 O ATOM 523 CB CYS A 35 10.444 -10.208 -2.346 1.00 32.42 C ATOM 524 SG CYS A 35 11.145 -11.848 -2.037 1.00 44.41 S ATOM 0 H CYS A 35 8.884 -8.292 -2.835 1.00 33.41 H new ATOM 0 HA CYS A 35 10.210 -10.270 -4.492 1.00 13.30 H new ATOM 0 HB2 CYS A 35 11.257 -9.486 -2.422 1.00 32.42 H new ATOM 0 HB3 CYS A 35 9.838 -9.917 -1.488 1.00 32.42 H new ATOM 0 HG CYS A 35 11.855 -11.818 -0.948 1.00 44.41 H new ATOM 530 N MET A 36 7.417 -10.976 -2.873 1.00 14.45 N ATOM 531 CA MET A 36 6.326 -11.960 -2.751 1.00 64.53 C ATOM 532 C MET A 36 5.287 -11.820 -3.880 1.00 70.22 C ATOM 533 O MET A 36 4.222 -12.435 -3.828 1.00 65.54 O ATOM 534 CB MET A 36 5.634 -11.813 -1.386 1.00 34.45 C ATOM 535 CG MET A 36 4.996 -10.447 -1.168 1.00 22.20 C ATOM 536 SD MET A 36 4.158 -10.301 0.421 1.00 74.11 S ATOM 537 CE MET A 36 2.842 -11.507 0.237 1.00 50.43 C ATOM 0 H MET A 36 7.255 -10.107 -2.365 1.00 14.45 H new ATOM 0 HA MET A 36 6.772 -12.951 -2.835 1.00 64.53 H new ATOM 0 HB2 MET A 36 4.867 -12.582 -1.293 1.00 34.45 H new ATOM 0 HB3 MET A 36 6.364 -11.994 -0.597 1.00 34.45 H new ATOM 0 HG2 MET A 36 5.766 -9.678 -1.238 1.00 22.20 H new ATOM 0 HG3 MET A 36 4.281 -10.255 -1.968 1.00 22.20 H new ATOM 0 HE1 MET A 36 2.074 -11.326 0.989 1.00 50.43 H new ATOM 0 HE2 MET A 36 2.404 -11.419 -0.757 1.00 50.43 H new ATOM 0 HE3 MET A 36 3.247 -12.510 0.367 1.00 50.43 H new ATOM 547 N GLY A 37 5.593 -11.001 -4.887 1.00 33.53 N ATOM 548 CA GLY A 37 4.685 -10.816 -6.023 1.00 63.15 C ATOM 549 C GLY A 37 3.339 -10.194 -5.645 1.00 63.42 C ATOM 550 O GLY A 37 2.349 -10.355 -6.360 1.00 11.33 O ATOM 0 H GLY A 37 6.455 -10.458 -4.941 1.00 33.53 H new ATOM 0 HA2 GLY A 37 5.171 -10.183 -6.765 1.00 63.15 H new ATOM 0 HA3 GLY A 37 4.508 -11.782 -6.495 1.00 63.15 H new ATOM 554 N ALA A 38 3.305 -9.453 -4.537 1.00 23.44 N ATOM 555 CA ALA A 38 2.059 -8.832 -4.054 1.00 1.24 C ATOM 556 C ALA A 38 1.708 -7.560 -4.846 1.00 71.12 C ATOM 557 O ALA A 38 0.775 -6.843 -4.501 1.00 63.23 O ATOM 558 CB ALA A 38 2.167 -8.517 -2.565 1.00 31.10 C ATOM 0 H ALA A 38 4.121 -9.265 -3.954 1.00 23.44 H new ATOM 0 HA ALA A 38 1.253 -9.549 -4.210 1.00 1.24 H new ATOM 0 HB1 ALA A 38 1.239 -8.059 -2.222 1.00 31.10 H new ATOM 0 HB2 ALA A 38 2.343 -9.438 -2.010 1.00 31.10 H new ATOM 0 HB3 ALA A 38 2.995 -7.829 -2.398 1.00 31.10 H new ATOM 564 N GLN A 39 2.460 -7.292 -5.915 1.00 31.12 N ATOM 565 CA GLN A 39 2.212 -6.122 -6.772 1.00 42.43 C ATOM 566 C GLN A 39 0.785 -6.141 -7.347 1.00 13.00 C ATOM 567 O GLN A 39 0.119 -5.107 -7.430 1.00 75.33 O ATOM 568 CB GLN A 39 3.234 -6.083 -7.919 1.00 54.31 C ATOM 569 CG GLN A 39 4.686 -6.006 -7.455 1.00 44.45 C ATOM 570 CD GLN A 39 5.001 -4.714 -6.717 1.00 5.12 C ATOM 571 OE1 GLN A 39 5.408 -3.728 -7.315 1.00 52.33 O ATOM 572 NE2 GLN A 39 4.812 -4.707 -5.414 1.00 13.22 N ATOM 0 H GLN A 39 3.248 -7.868 -6.212 1.00 31.12 H new ATOM 0 HA GLN A 39 2.319 -5.228 -6.158 1.00 42.43 H new ATOM 0 HB2 GLN A 39 3.107 -6.973 -8.535 1.00 54.31 H new ATOM 0 HB3 GLN A 39 3.020 -5.223 -8.553 1.00 54.31 H new ATOM 0 HG2 GLN A 39 4.900 -6.853 -6.803 1.00 44.45 H new ATOM 0 HG3 GLN A 39 5.344 -6.095 -8.319 1.00 44.45 H new ATOM 0 HE21 GLN A 39 4.471 -5.546 -4.944 1.00 13.22 H new ATOM 0 HE22 GLN A 39 5.006 -3.863 -4.875 1.00 13.22 H new ATOM 581 N ASN A 40 0.322 -7.331 -7.722 1.00 60.32 N ATOM 582 CA ASN A 40 -1.013 -7.507 -8.312 1.00 32.11 C ATOM 583 C ASN A 40 -2.073 -7.809 -7.235 1.00 74.22 C ATOM 584 O ASN A 40 -3.201 -8.197 -7.548 1.00 44.15 O ATOM 585 CB ASN A 40 -0.972 -8.644 -9.339 1.00 11.20 C ATOM 586 CG ASN A 40 0.093 -8.426 -10.401 1.00 53.41 C ATOM 587 OD1 ASN A 40 0.421 -7.295 -10.750 1.00 71.14 O ATOM 588 ND2 ASN A 40 0.643 -9.504 -10.923 1.00 55.12 N ATOM 0 H ASN A 40 0.853 -8.197 -7.629 1.00 60.32 H new ATOM 0 HA ASN A 40 -1.294 -6.575 -8.802 1.00 32.11 H new ATOM 0 HB2 ASN A 40 -0.782 -9.587 -8.826 1.00 11.20 H new ATOM 0 HB3 ASN A 40 -1.947 -8.732 -9.818 1.00 11.20 H new ATOM 0 HD21 ASN A 40 1.364 -9.413 -11.639 1.00 55.12 H new ATOM 0 HD22 ASN A 40 0.348 -10.429 -10.611 1.00 55.12 H new ATOM 595 N GLU A 41 -1.708 -7.612 -5.970 1.00 10.41 N ATOM 596 CA GLU A 41 -2.602 -7.898 -4.841 1.00 40.11 C ATOM 597 C GLU A 41 -3.121 -6.599 -4.203 1.00 75.43 C ATOM 598 O GLU A 41 -2.458 -5.562 -4.260 1.00 70.43 O ATOM 599 CB GLU A 41 -1.857 -8.747 -3.800 1.00 52.43 C ATOM 600 CG GLU A 41 -2.716 -9.173 -2.615 1.00 3.53 C ATOM 601 CD GLU A 41 -1.996 -10.137 -1.686 1.00 64.24 C ATOM 602 OE1 GLU A 41 -1.942 -11.345 -2.011 1.00 34.23 O ATOM 603 OE2 GLU A 41 -1.496 -9.700 -0.631 1.00 72.12 O ATOM 0 H GLU A 41 -0.793 -7.253 -5.696 1.00 10.41 H new ATOM 0 HA GLU A 41 -3.464 -8.453 -5.210 1.00 40.11 H new ATOM 0 HB2 GLU A 41 -1.463 -9.638 -4.288 1.00 52.43 H new ATOM 0 HB3 GLU A 41 -1.002 -8.181 -3.430 1.00 52.43 H new ATOM 0 HG2 GLU A 41 -3.017 -8.289 -2.053 1.00 3.53 H new ATOM 0 HG3 GLU A 41 -3.628 -9.642 -2.983 1.00 3.53 H new ATOM 610 N SER A 42 -4.311 -6.660 -3.600 1.00 52.42 N ATOM 611 CA SER A 42 -4.940 -5.476 -2.992 1.00 41.14 C ATOM 612 C SER A 42 -4.228 -5.045 -1.700 1.00 5.42 C ATOM 613 O SER A 42 -3.691 -5.876 -0.965 1.00 0.41 O ATOM 614 CB SER A 42 -6.419 -5.753 -2.687 1.00 34.11 C ATOM 615 OG SER A 42 -7.133 -6.134 -3.857 1.00 21.34 O ATOM 0 H SER A 42 -4.861 -7.515 -3.518 1.00 52.42 H new ATOM 0 HA SER A 42 -4.856 -4.664 -3.714 1.00 41.14 H new ATOM 0 HB2 SER A 42 -6.495 -6.543 -1.940 1.00 34.11 H new ATOM 0 HB3 SER A 42 -6.875 -4.862 -2.256 1.00 34.11 H new ATOM 0 HG SER A 42 -7.575 -5.348 -4.241 1.00 21.34 H new ATOM 621 N LEU A 43 -4.266 -3.741 -1.417 1.00 10.52 N ATOM 622 CA LEU A 43 -3.600 -3.167 -0.238 1.00 23.34 C ATOM 623 C LEU A 43 -4.030 -3.856 1.070 1.00 44.42 C ATOM 624 O LEU A 43 -3.196 -4.146 1.931 1.00 22.53 O ATOM 625 CB LEU A 43 -3.888 -1.660 -0.148 1.00 21.12 C ATOM 626 CG LEU A 43 -3.360 -0.809 -1.320 1.00 14.22 C ATOM 627 CD1 LEU A 43 -3.709 0.663 -1.119 1.00 51.43 C ATOM 628 CD2 LEU A 43 -1.853 -0.984 -1.478 1.00 71.33 C ATOM 0 H LEU A 43 -4.755 -3.055 -1.992 1.00 10.52 H new ATOM 0 HA LEU A 43 -2.530 -3.333 -0.362 1.00 23.34 H new ATOM 0 HB2 LEU A 43 -4.966 -1.518 -0.077 1.00 21.12 H new ATOM 0 HB3 LEU A 43 -3.455 -1.280 0.777 1.00 21.12 H new ATOM 0 HG LEU A 43 -3.843 -1.154 -2.234 1.00 14.22 H new ATOM 0 HD11 LEU A 43 -3.327 1.245 -1.958 1.00 51.43 H new ATOM 0 HD12 LEU A 43 -4.792 0.776 -1.062 1.00 51.43 H new ATOM 0 HD13 LEU A 43 -3.258 1.021 -0.193 1.00 51.43 H new ATOM 0 HD21 LEU A 43 -1.501 -0.375 -2.311 1.00 71.33 H new ATOM 0 HD22 LEU A 43 -1.352 -0.670 -0.562 1.00 71.33 H new ATOM 0 HD23 LEU A 43 -1.627 -2.032 -1.674 1.00 71.33 H new ATOM 640 N GLU A 44 -5.330 -4.110 1.218 1.00 53.23 N ATOM 641 CA GLU A 44 -5.852 -4.755 2.431 1.00 61.41 C ATOM 642 C GLU A 44 -5.252 -6.151 2.640 1.00 62.13 C ATOM 643 O GLU A 44 -4.862 -6.511 3.751 1.00 1.22 O ATOM 644 CB GLU A 44 -7.382 -4.854 2.378 1.00 41.54 C ATOM 645 CG GLU A 44 -7.993 -5.506 3.617 1.00 2.32 C ATOM 646 CD GLU A 44 -9.509 -5.590 3.561 1.00 4.31 C ATOM 647 OE1 GLU A 44 -10.034 -6.437 2.808 1.00 64.01 O ATOM 648 OE2 GLU A 44 -10.183 -4.824 4.285 1.00 73.32 O ATOM 0 H GLU A 44 -6.039 -3.883 0.521 1.00 53.23 H new ATOM 0 HA GLU A 44 -5.559 -4.130 3.275 1.00 61.41 H new ATOM 0 HB2 GLU A 44 -7.799 -3.854 2.260 1.00 41.54 H new ATOM 0 HB3 GLU A 44 -7.671 -5.426 1.496 1.00 41.54 H new ATOM 0 HG2 GLU A 44 -7.584 -6.510 3.731 1.00 2.32 H new ATOM 0 HG3 GLU A 44 -7.699 -4.939 4.501 1.00 2.32 H new ATOM 655 N GLN A 45 -5.168 -6.923 1.564 1.00 25.51 N ATOM 656 CA GLN A 45 -4.684 -8.303 1.636 1.00 14.42 C ATOM 657 C GLN A 45 -3.226 -8.359 2.122 1.00 2.43 C ATOM 658 O GLN A 45 -2.907 -9.084 3.069 1.00 45.22 O ATOM 659 CB GLN A 45 -4.839 -8.980 0.270 1.00 33.44 C ATOM 660 CG GLN A 45 -6.267 -8.930 -0.269 1.00 43.14 C ATOM 661 CD GLN A 45 -6.424 -9.604 -1.625 1.00 61.01 C ATOM 662 OE1 GLN A 45 -5.726 -10.556 -1.944 1.00 70.24 O ATOM 663 NE2 GLN A 45 -7.343 -9.109 -2.432 1.00 34.21 N ATOM 0 H GLN A 45 -5.429 -6.619 0.626 1.00 25.51 H new ATOM 0 HA GLN A 45 -5.287 -8.845 2.365 1.00 14.42 H new ATOM 0 HB2 GLN A 45 -4.171 -8.499 -0.444 1.00 33.44 H new ATOM 0 HB3 GLN A 45 -4.524 -10.020 0.350 1.00 33.44 H new ATOM 0 HG2 GLN A 45 -6.935 -9.410 0.447 1.00 43.14 H new ATOM 0 HG3 GLN A 45 -6.581 -7.889 -0.350 1.00 43.14 H new ATOM 0 HE21 GLN A 45 -7.908 -8.314 -2.134 1.00 34.21 H new ATOM 0 HE22 GLN A 45 -7.488 -9.522 -3.353 1.00 34.21 H new ATOM 672 N GLY A 46 -2.351 -7.575 1.490 1.00 43.32 N ATOM 673 CA GLY A 46 -0.964 -7.482 1.937 1.00 54.55 C ATOM 674 C GLY A 46 -0.838 -6.983 3.377 1.00 51.52 C ATOM 675 O GLY A 46 0.033 -7.435 4.131 1.00 12.41 O ATOM 0 H GLY A 46 -2.576 -7.002 0.677 1.00 43.32 H new ATOM 0 HA2 GLY A 46 -0.494 -8.462 1.854 1.00 54.55 H new ATOM 0 HA3 GLY A 46 -0.418 -6.810 1.275 1.00 54.55 H new ATOM 679 N ALA A 47 -1.712 -6.050 3.758 1.00 44.44 N ATOM 680 CA ALA A 47 -1.752 -5.537 5.131 1.00 2.12 C ATOM 681 C ALA A 47 -2.013 -6.669 6.136 1.00 53.34 C ATOM 682 O ALA A 47 -1.225 -6.885 7.062 1.00 75.32 O ATOM 683 CB ALA A 47 -2.815 -4.448 5.261 1.00 44.33 C ATOM 0 H ALA A 47 -2.403 -5.633 3.135 1.00 44.44 H new ATOM 0 HA ALA A 47 -0.779 -5.103 5.360 1.00 2.12 H new ATOM 0 HB1 ALA A 47 -2.833 -4.077 6.286 1.00 44.33 H new ATOM 0 HB2 ALA A 47 -2.581 -3.628 4.582 1.00 44.33 H new ATOM 0 HB3 ALA A 47 -3.792 -4.861 5.008 1.00 44.33 H new ATOM 689 N ASN A 48 -3.113 -7.404 5.942 1.00 55.51 N ATOM 690 CA ASN A 48 -3.443 -8.546 6.808 1.00 31.10 C ATOM 691 C ASN A 48 -2.346 -9.622 6.760 1.00 24.24 C ATOM 692 O ASN A 48 -2.103 -10.312 7.751 1.00 30.11 O ATOM 693 CB ASN A 48 -4.800 -9.159 6.428 1.00 12.20 C ATOM 694 CG ASN A 48 -5.957 -8.217 6.711 1.00 43.04 C ATOM 695 OD1 ASN A 48 -6.461 -8.153 7.826 1.00 42.51 O ATOM 696 ND2 ASN A 48 -6.408 -7.501 5.705 1.00 65.44 N ATOM 0 H ASN A 48 -3.788 -7.232 5.197 1.00 55.51 H new ATOM 0 HA ASN A 48 -3.508 -8.167 7.828 1.00 31.10 H new ATOM 0 HB2 ASN A 48 -4.796 -9.418 5.369 1.00 12.20 H new ATOM 0 HB3 ASN A 48 -4.945 -10.086 6.982 1.00 12.20 H new ATOM 0 HD21 ASN A 48 -7.198 -6.871 5.841 1.00 65.44 H new ATOM 0 HD22 ASN A 48 -5.968 -7.576 4.788 1.00 65.44 H new ATOM 703 N ALA A 49 -1.681 -9.755 5.610 1.00 31.24 N ATOM 704 CA ALA A 49 -0.554 -10.688 5.466 1.00 44.30 C ATOM 705 C ALA A 49 0.600 -10.346 6.425 1.00 65.14 C ATOM 706 O ALA A 49 1.374 -11.217 6.819 1.00 60.12 O ATOM 707 CB ALA A 49 -0.055 -10.693 4.025 1.00 0.03 C ATOM 0 H ALA A 49 -1.901 -9.230 4.764 1.00 31.24 H new ATOM 0 HA ALA A 49 -0.916 -11.683 5.727 1.00 44.30 H new ATOM 0 HB1 ALA A 49 0.780 -11.388 3.931 1.00 0.03 H new ATOM 0 HB2 ALA A 49 -0.862 -11.004 3.362 1.00 0.03 H new ATOM 0 HB3 ALA A 49 0.275 -9.691 3.751 1.00 0.03 H new ATOM 713 N HIS A 50 0.723 -9.066 6.785 1.00 5.43 N ATOM 714 CA HIS A 50 1.735 -8.628 7.763 1.00 64.43 C ATOM 715 C HIS A 50 1.105 -8.283 9.127 1.00 54.01 C ATOM 716 O HIS A 50 1.781 -7.757 10.012 1.00 54.50 O ATOM 717 CB HIS A 50 2.507 -7.417 7.227 1.00 50.40 C ATOM 718 CG HIS A 50 3.396 -7.733 6.059 1.00 55.54 C ATOM 719 ND1 HIS A 50 3.115 -7.889 4.743 1.00 2.34 N flip ATOM 720 CD2 HIS A 50 4.761 -7.895 6.175 1.00 12.51 C flip ATOM 721 CE1 HIS A 50 4.303 -8.135 4.104 1.00 15.40 C flip ATOM 722 NE2 HIS A 50 5.277 -8.131 4.988 1.00 53.31 N flip ATOM 0 H HIS A 50 0.139 -8.314 6.419 1.00 5.43 H new ATOM 0 HA HIS A 50 2.422 -9.461 7.912 1.00 64.43 H new ATOM 0 HB2 HIS A 50 1.795 -6.646 6.932 1.00 50.40 H new ATOM 0 HB3 HIS A 50 3.114 -7.000 8.031 1.00 50.40 H new ATOM 0 HD1 HIS A 50 2.193 -7.834 4.309 1.00 2.34 H new ATOM 0 HD2 HIS A 50 5.320 -7.837 7.097 1.00 12.51 H new ATOM 0 HE1 HIS A 50 4.420 -8.305 3.044 1.00 15.40 H new ATOM 731 N GLY A 51 -0.180 -8.594 9.293 1.00 51.45 N ATOM 732 CA GLY A 51 -0.878 -8.293 10.543 1.00 31.43 C ATOM 733 C GLY A 51 -1.038 -6.794 10.797 1.00 42.21 C ATOM 734 O GLY A 51 -0.813 -6.316 11.911 1.00 33.21 O ATOM 0 H GLY A 51 -0.755 -9.050 8.585 1.00 51.45 H new ATOM 0 HA2 GLY A 51 -1.863 -8.759 10.523 1.00 31.43 H new ATOM 0 HA3 GLY A 51 -0.331 -8.739 11.374 1.00 31.43 H new ATOM 738 N LEU A 52 -1.434 -6.055 9.764 1.00 12.30 N ATOM 739 CA LEU A 52 -1.604 -4.598 9.861 1.00 62.35 C ATOM 740 C LEU A 52 -3.026 -4.168 9.471 1.00 60.41 C ATOM 741 O LEU A 52 -3.779 -4.939 8.871 1.00 14.24 O ATOM 742 CB LEU A 52 -0.591 -3.889 8.950 1.00 74.52 C ATOM 743 CG LEU A 52 0.886 -4.178 9.254 1.00 23.22 C ATOM 744 CD1 LEU A 52 1.783 -3.512 8.220 1.00 35.21 C ATOM 745 CD2 LEU A 52 1.251 -3.717 10.666 1.00 12.12 C ATOM 0 H LEU A 52 -1.646 -6.439 8.843 1.00 12.30 H new ATOM 0 HA LEU A 52 -1.433 -4.314 10.899 1.00 62.35 H new ATOM 0 HB2 LEU A 52 -0.794 -4.175 7.918 1.00 74.52 H new ATOM 0 HB3 LEU A 52 -0.755 -2.814 9.021 1.00 74.52 H new ATOM 0 HG LEU A 52 1.042 -5.255 9.201 1.00 23.22 H new ATOM 0 HD11 LEU A 52 2.826 -3.727 8.451 1.00 35.21 H new ATOM 0 HD12 LEU A 52 1.544 -3.897 7.229 1.00 35.21 H new ATOM 0 HD13 LEU A 52 1.622 -2.434 8.239 1.00 35.21 H new ATOM 0 HD21 LEU A 52 2.302 -3.932 10.859 1.00 12.12 H new ATOM 0 HD22 LEU A 52 1.078 -2.644 10.755 1.00 12.12 H new ATOM 0 HD23 LEU A 52 0.633 -4.245 11.392 1.00 12.12 H new ATOM 757 N ASN A 53 -3.384 -2.933 9.818 1.00 61.34 N ATOM 758 CA ASN A 53 -4.679 -2.360 9.439 1.00 1.54 C ATOM 759 C ASN A 53 -4.542 -1.469 8.194 1.00 42.23 C ATOM 760 O ASN A 53 -3.916 -0.406 8.239 1.00 72.12 O ATOM 761 CB ASN A 53 -5.263 -1.554 10.608 1.00 24.23 C ATOM 762 CG ASN A 53 -6.534 -0.809 10.230 1.00 10.10 C ATOM 763 OD1 ASN A 53 -7.276 -1.224 9.345 1.00 72.45 O ATOM 764 ND2 ASN A 53 -6.790 0.301 10.892 1.00 53.42 N ATOM 0 H ASN A 53 -2.794 -2.305 10.364 1.00 61.34 H new ATOM 0 HA ASN A 53 -5.358 -3.178 9.198 1.00 1.54 H new ATOM 0 HB2 ASN A 53 -5.475 -2.228 11.438 1.00 24.23 H new ATOM 0 HB3 ASN A 53 -4.519 -0.839 10.959 1.00 24.23 H new ATOM 0 HD21 ASN A 53 -7.626 0.843 10.674 1.00 53.42 H new ATOM 0 HD22 ASN A 53 -6.152 0.618 11.622 1.00 53.42 H new ATOM 771 N VAL A 54 -5.138 -1.909 7.088 1.00 1.13 N ATOM 772 CA VAL A 54 -5.084 -1.171 5.824 1.00 60.21 C ATOM 773 C VAL A 54 -5.639 0.256 5.967 1.00 15.40 C ATOM 774 O VAL A 54 -5.152 1.187 5.331 1.00 21.14 O ATOM 775 CB VAL A 54 -5.863 -1.915 4.710 1.00 62.44 C ATOM 776 CG1 VAL A 54 -7.341 -2.062 5.073 1.00 74.14 C ATOM 777 CG2 VAL A 54 -5.694 -1.210 3.364 1.00 13.34 C ATOM 0 H VAL A 54 -5.668 -2.779 7.040 1.00 1.13 H new ATOM 0 HA VAL A 54 -4.032 -1.106 5.547 1.00 60.21 H new ATOM 0 HB VAL A 54 -5.444 -2.917 4.620 1.00 62.44 H new ATOM 0 HG11 VAL A 54 -7.862 -2.588 4.273 1.00 74.14 H new ATOM 0 HG12 VAL A 54 -7.433 -2.629 6.000 1.00 74.14 H new ATOM 0 HG13 VAL A 54 -7.783 -1.075 5.206 1.00 74.14 H new ATOM 0 HG21 VAL A 54 -6.250 -1.751 2.598 1.00 13.34 H new ATOM 0 HG22 VAL A 54 -6.074 -0.191 3.437 1.00 13.34 H new ATOM 0 HG23 VAL A 54 -4.638 -1.185 3.096 1.00 13.34 H new ATOM 787 N GLU A 55 -6.643 0.420 6.823 1.00 13.11 N ATOM 788 CA GLU A 55 -7.285 1.724 7.030 1.00 21.12 C ATOM 789 C GLU A 55 -6.286 2.771 7.563 1.00 15.44 C ATOM 790 O GLU A 55 -6.363 3.954 7.222 1.00 70.45 O ATOM 791 CB GLU A 55 -8.472 1.564 7.990 1.00 54.35 C ATOM 792 CG GLU A 55 -9.557 0.616 7.467 1.00 31.44 C ATOM 793 CD GLU A 55 -10.631 0.303 8.501 1.00 73.52 C ATOM 794 OE1 GLU A 55 -11.116 1.240 9.166 1.00 14.23 O ATOM 795 OE2 GLU A 55 -11.006 -0.881 8.645 1.00 14.41 O ATOM 0 H GLU A 55 -7.034 -0.333 7.388 1.00 13.11 H new ATOM 0 HA GLU A 55 -7.646 2.087 6.068 1.00 21.12 H new ATOM 0 HB2 GLU A 55 -8.107 1.193 8.948 1.00 54.35 H new ATOM 0 HB3 GLU A 55 -8.914 2.543 8.175 1.00 54.35 H new ATOM 0 HG2 GLU A 55 -10.026 1.060 6.589 1.00 31.44 H new ATOM 0 HG3 GLU A 55 -9.092 -0.315 7.143 1.00 31.44 H new ATOM 802 N ASP A 56 -5.337 2.330 8.387 1.00 44.10 N ATOM 803 CA ASP A 56 -4.288 3.219 8.890 1.00 3.03 C ATOM 804 C ASP A 56 -3.283 3.565 7.780 1.00 34.31 C ATOM 805 O ASP A 56 -2.794 4.693 7.695 1.00 44.11 O ATOM 806 CB ASP A 56 -3.567 2.574 10.074 1.00 31.33 C ATOM 807 CG ASP A 56 -2.509 3.492 10.661 1.00 11.22 C ATOM 808 OD1 ASP A 56 -2.871 4.581 11.148 1.00 70.45 O ATOM 809 OD2 ASP A 56 -1.311 3.151 10.617 1.00 64.22 O ATOM 0 H ASP A 56 -5.272 1.368 8.720 1.00 44.10 H new ATOM 0 HA ASP A 56 -4.758 4.143 9.225 1.00 3.03 H new ATOM 0 HB2 ASP A 56 -4.293 2.317 10.845 1.00 31.33 H new ATOM 0 HB3 ASP A 56 -3.101 1.643 9.752 1.00 31.33 H new ATOM 814 N ILE A 57 -2.987 2.585 6.930 1.00 73.12 N ATOM 815 CA ILE A 57 -2.086 2.789 5.790 1.00 51.44 C ATOM 816 C ILE A 57 -2.690 3.791 4.793 1.00 24.22 C ATOM 817 O ILE A 57 -2.025 4.733 4.356 1.00 54.50 O ATOM 818 CB ILE A 57 -1.795 1.453 5.057 1.00 72.30 C ATOM 819 CG1 ILE A 57 -1.336 0.383 6.063 1.00 74.42 C ATOM 820 CG2 ILE A 57 -0.741 1.655 3.967 1.00 22.01 C ATOM 821 CD1 ILE A 57 -1.120 -0.988 5.454 1.00 1.42 C ATOM 0 H ILE A 57 -3.357 1.638 7.006 1.00 73.12 H new ATOM 0 HA ILE A 57 -1.150 3.187 6.183 1.00 51.44 H new ATOM 0 HB ILE A 57 -2.714 1.111 4.582 1.00 72.30 H new ATOM 0 HG12 ILE A 57 -0.407 0.712 6.528 1.00 74.42 H new ATOM 0 HG13 ILE A 57 -2.079 0.303 6.856 1.00 74.42 H new ATOM 0 HG21 ILE A 57 -0.551 0.707 3.465 1.00 22.01 H new ATOM 0 HG22 ILE A 57 -1.103 2.384 3.242 1.00 22.01 H new ATOM 0 HG23 ILE A 57 0.183 2.019 4.417 1.00 22.01 H new ATOM 0 HD11 ILE A 57 -0.798 -1.684 6.229 1.00 1.42 H new ATOM 0 HD12 ILE A 57 -2.052 -1.342 5.014 1.00 1.42 H new ATOM 0 HD13 ILE A 57 -0.354 -0.926 4.681 1.00 1.42 H new ATOM 833 N LEU A 58 -3.963 3.582 4.453 1.00 72.55 N ATOM 834 CA LEU A 58 -4.689 4.477 3.541 1.00 51.45 C ATOM 835 C LEU A 58 -4.657 5.930 4.037 1.00 1.30 C ATOM 836 O LEU A 58 -4.617 6.864 3.236 1.00 74.42 O ATOM 837 CB LEU A 58 -6.144 4.014 3.376 1.00 21.40 C ATOM 838 CG LEU A 58 -6.326 2.618 2.758 1.00 71.23 C ATOM 839 CD1 LEU A 58 -7.808 2.257 2.669 1.00 41.23 C ATOM 840 CD2 LEU A 58 -5.661 2.545 1.384 1.00 12.52 C ATOM 0 H LEU A 58 -4.518 2.798 4.796 1.00 72.55 H new ATOM 0 HA LEU A 58 -4.189 4.436 2.574 1.00 51.45 H new ATOM 0 HB2 LEU A 58 -6.624 4.025 4.355 1.00 21.40 H new ATOM 0 HB3 LEU A 58 -6.670 4.739 2.755 1.00 21.40 H new ATOM 0 HG LEU A 58 -5.840 1.889 3.407 1.00 71.23 H new ATOM 0 HD11 LEU A 58 -7.915 1.266 2.229 1.00 41.23 H new ATOM 0 HD12 LEU A 58 -8.244 2.260 3.668 1.00 41.23 H new ATOM 0 HD13 LEU A 58 -8.324 2.988 2.046 1.00 41.23 H new ATOM 0 HD21 LEU A 58 -5.801 1.549 0.964 1.00 12.52 H new ATOM 0 HD22 LEU A 58 -6.111 3.285 0.722 1.00 12.52 H new ATOM 0 HD23 LEU A 58 -4.595 2.749 1.484 1.00 12.52 H new ATOM 852 N ARG A 59 -4.681 6.110 5.358 1.00 42.25 N ATOM 853 CA ARG A 59 -4.541 7.437 5.969 1.00 54.40 C ATOM 854 C ARG A 59 -3.305 8.181 5.431 1.00 43.31 C ATOM 855 O ARG A 59 -3.412 9.287 4.895 1.00 33.40 O ATOM 856 CB ARG A 59 -4.439 7.294 7.498 1.00 1.14 C ATOM 857 CG ARG A 59 -3.998 8.562 8.224 1.00 15.52 C ATOM 858 CD ARG A 59 -3.760 8.310 9.711 1.00 34.53 C ATOM 859 NE ARG A 59 -2.805 7.222 9.949 1.00 41.42 N ATOM 860 CZ ARG A 59 -1.563 7.391 10.318 1.00 43.33 C ATOM 861 NH1 ARG A 59 -1.073 8.576 10.481 1.00 53.23 N ATOM 862 NH2 ARG A 59 -0.812 6.362 10.530 1.00 23.20 N ATOM 0 H ARG A 59 -4.796 5.351 6.030 1.00 42.25 H new ATOM 0 HA ARG A 59 -5.423 8.023 5.709 1.00 54.40 H new ATOM 0 HB2 ARG A 59 -5.410 6.987 7.887 1.00 1.14 H new ATOM 0 HB3 ARG A 59 -3.735 6.495 7.729 1.00 1.14 H new ATOM 0 HG2 ARG A 59 -3.083 8.942 7.769 1.00 15.52 H new ATOM 0 HG3 ARG A 59 -4.759 9.333 8.103 1.00 15.52 H new ATOM 0 HD2 ARG A 59 -3.389 9.223 10.177 1.00 34.53 H new ATOM 0 HD3 ARG A 59 -4.708 8.069 10.192 1.00 34.53 H new ATOM 0 HE ARG A 59 -3.134 6.266 9.817 1.00 41.42 H new ATOM 0 HH11 ARG A 59 -1.658 9.396 10.321 1.00 53.23 H new ATOM 0 HH12 ARG A 59 -0.101 8.691 10.769 1.00 53.23 H new ATOM 0 HH21 ARG A 59 -1.189 5.422 10.409 1.00 23.20 H new ATOM 0 HH22 ARG A 59 0.158 6.489 10.818 1.00 23.20 H new ATOM 876 N ASP A 60 -2.135 7.560 5.567 1.00 1.13 N ATOM 877 CA ASP A 60 -0.876 8.183 5.146 1.00 42.14 C ATOM 878 C ASP A 60 -0.755 8.219 3.608 1.00 22.23 C ATOM 879 O ASP A 60 -0.183 9.154 3.042 1.00 53.24 O ATOM 880 CB ASP A 60 0.310 7.434 5.778 1.00 54.14 C ATOM 881 CG ASP A 60 1.582 8.267 5.808 1.00 24.53 C ATOM 882 OD1 ASP A 60 1.562 9.361 6.417 1.00 44.24 O ATOM 883 OD2 ASP A 60 2.604 7.841 5.236 1.00 72.23 O ATOM 0 H ASP A 60 -2.030 6.627 5.965 1.00 1.13 H new ATOM 0 HA ASP A 60 -0.865 9.216 5.493 1.00 42.14 H new ATOM 0 HB2 ASP A 60 0.049 7.141 6.795 1.00 54.14 H new ATOM 0 HB3 ASP A 60 0.495 6.517 5.219 1.00 54.14 H new ATOM 888 N LEU A 61 -1.313 7.203 2.941 1.00 60.31 N ATOM 889 CA LEU A 61 -1.295 7.129 1.470 1.00 12.54 C ATOM 890 C LEU A 61 -2.087 8.276 0.816 1.00 60.43 C ATOM 891 O LEU A 61 -1.571 8.975 -0.058 1.00 4.43 O ATOM 892 CB LEU A 61 -1.856 5.783 0.987 1.00 41.30 C ATOM 893 CG LEU A 61 -0.993 4.551 1.303 1.00 51.51 C ATOM 894 CD1 LEU A 61 -1.648 3.283 0.765 1.00 25.21 C ATOM 895 CD2 LEU A 61 0.408 4.717 0.726 1.00 11.32 C ATOM 0 H LEU A 61 -1.783 6.419 3.393 1.00 60.31 H new ATOM 0 HA LEU A 61 -0.252 7.224 1.167 1.00 12.54 H new ATOM 0 HB2 LEU A 61 -2.840 5.639 1.433 1.00 41.30 H new ATOM 0 HB3 LEU A 61 -2.000 5.836 -0.092 1.00 41.30 H new ATOM 0 HG LEU A 61 -0.910 4.460 2.386 1.00 51.51 H new ATOM 0 HD11 LEU A 61 -1.021 2.422 0.999 1.00 25.21 H new ATOM 0 HD12 LEU A 61 -2.627 3.155 1.227 1.00 25.21 H new ATOM 0 HD13 LEU A 61 -1.764 3.364 -0.316 1.00 25.21 H new ATOM 0 HD21 LEU A 61 1.005 3.835 0.960 1.00 11.32 H new ATOM 0 HD22 LEU A 61 0.344 4.836 -0.356 1.00 11.32 H new ATOM 0 HD23 LEU A 61 0.878 5.599 1.161 1.00 11.32 H new ATOM 907 N ASN A 62 -3.342 8.469 1.230 1.00 45.20 N ATOM 908 CA ASN A 62 -4.174 9.543 0.668 1.00 72.13 C ATOM 909 C ASN A 62 -3.628 10.926 1.052 1.00 74.23 C ATOM 910 O ASN A 62 -3.808 11.903 0.321 1.00 24.11 O ATOM 911 CB ASN A 62 -5.640 9.400 1.101 1.00 32.53 C ATOM 912 CG ASN A 62 -6.336 8.237 0.410 1.00 73.45 C ATOM 913 OD1 ASN A 62 -6.845 8.368 -0.698 1.00 50.42 O ATOM 914 ND2 ASN A 62 -6.370 7.089 1.056 1.00 54.40 N ATOM 0 H ASN A 62 -3.803 7.904 1.944 1.00 45.20 H new ATOM 0 HA ASN A 62 -4.134 9.452 -0.417 1.00 72.13 H new ATOM 0 HB2 ASN A 62 -5.685 9.258 2.181 1.00 32.53 H new ATOM 0 HB3 ASN A 62 -6.174 10.324 0.879 1.00 32.53 H new ATOM 0 HD21 ASN A 62 -6.828 6.281 0.635 1.00 54.40 H new ATOM 0 HD22 ASN A 62 -5.938 7.009 1.977 1.00 54.40 H new ATOM 921 N ALA A 63 -2.944 11.000 2.193 1.00 72.01 N ATOM 922 CA ALA A 63 -2.271 12.231 2.612 1.00 42.25 C ATOM 923 C ALA A 63 -1.235 12.678 1.566 1.00 74.44 C ATOM 924 O ALA A 63 -1.018 13.875 1.363 1.00 30.22 O ATOM 925 CB ALA A 63 -1.617 12.038 3.974 1.00 5.35 C ATOM 0 H ALA A 63 -2.841 10.222 2.845 1.00 72.01 H new ATOM 0 HA ALA A 63 -3.020 13.019 2.696 1.00 42.25 H new ATOM 0 HB1 ALA A 63 -1.120 12.961 4.273 1.00 5.35 H new ATOM 0 HB2 ALA A 63 -2.379 11.781 4.710 1.00 5.35 H new ATOM 0 HB3 ALA A 63 -0.883 11.234 3.915 1.00 5.35 H new ATOM 931 N LEU A 64 -0.615 11.705 0.888 1.00 35.02 N ATOM 932 CA LEU A 64 0.354 11.989 -0.183 1.00 35.50 C ATOM 933 C LEU A 64 -0.300 12.750 -1.349 1.00 14.31 C ATOM 934 O LEU A 64 0.374 13.454 -2.102 1.00 13.22 O ATOM 935 CB LEU A 64 0.971 10.684 -0.710 1.00 62.35 C ATOM 936 CG LEU A 64 1.748 9.854 0.322 1.00 60.33 C ATOM 937 CD1 LEU A 64 2.218 8.539 -0.293 1.00 13.53 C ATOM 938 CD2 LEU A 64 2.931 10.650 0.874 1.00 54.41 C ATOM 0 H LEU A 64 -0.766 10.711 1.061 1.00 35.02 H new ATOM 0 HA LEU A 64 1.136 12.617 0.245 1.00 35.50 H new ATOM 0 HB2 LEU A 64 0.173 10.066 -1.121 1.00 62.35 H new ATOM 0 HB3 LEU A 64 1.642 10.927 -1.534 1.00 62.35 H new ATOM 0 HG LEU A 64 1.080 9.622 1.151 1.00 60.33 H new ATOM 0 HD11 LEU A 64 2.767 7.964 0.453 1.00 13.53 H new ATOM 0 HD12 LEU A 64 1.354 7.966 -0.630 1.00 13.53 H new ATOM 0 HD13 LEU A 64 2.869 8.747 -1.142 1.00 13.53 H new ATOM 0 HD21 LEU A 64 3.468 10.044 1.604 1.00 54.41 H new ATOM 0 HD22 LEU A 64 3.603 10.916 0.058 1.00 54.41 H new ATOM 0 HD23 LEU A 64 2.566 11.558 1.355 1.00 54.41 H new ATOM 950 N ALA A 65 -1.613 12.589 -1.504 1.00 51.01 N ATOM 951 CA ALA A 65 -2.362 13.282 -2.560 1.00 5.04 C ATOM 952 C ALA A 65 -2.801 14.686 -2.115 1.00 1.14 C ATOM 953 O ALA A 65 -3.161 15.528 -2.941 1.00 32.50 O ATOM 954 CB ALA A 65 -3.572 12.450 -2.971 1.00 20.11 C ATOM 0 H ALA A 65 -2.184 11.985 -0.913 1.00 51.01 H new ATOM 0 HA ALA A 65 -1.701 13.403 -3.418 1.00 5.04 H new ATOM 0 HB1 ALA A 65 -4.122 12.971 -3.755 1.00 20.11 H new ATOM 0 HB2 ALA A 65 -3.238 11.482 -3.344 1.00 20.11 H new ATOM 0 HB3 ALA A 65 -4.222 12.302 -2.108 1.00 20.11 H new