USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 401 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 Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.59 F(o=-4!,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= -2.06! (180deg=-3.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00446 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.36 F(o=-1.5,f=-0.36) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -71:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.619 F(o=-1.3,f=-0.62) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.177 K(o=-0.18,f=-1!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.995 -0.494 -11.408 1.00 0.00 N ATOM 81 CA ALA A 9 8.486 -1.626 -10.645 1.00 0.00 C ATOM 82 C ALA A 9 8.510 -1.335 -9.148 1.00 0.00 C ATOM 83 O ALA A 9 8.353 -2.239 -8.329 1.00 0.00 O ATOM 84 CB ALA A 9 9.296 -2.877 -10.954 1.00 0.00 C ATOM 0 HA ALA A 9 7.450 -1.794 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.905 -3.715 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.224 -3.104 -12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.340 -2.709 -10.689 1.00 0.00 H new ATOM 90 N GLN A 10 8.707 -0.067 -8.800 1.00 0.00 N ATOM 91 CA GLN A 10 8.753 0.342 -7.401 1.00 0.00 C ATOM 92 C GLN A 10 7.458 -0.027 -6.684 1.00 0.00 C ATOM 93 O GLN A 10 6.362 0.090 -7.231 1.00 0.00 O ATOM 94 CB GLN A 10 8.997 1.848 -7.296 1.00 0.00 C ATOM 95 CG GLN A 10 9.755 2.256 -6.044 1.00 0.00 C ATOM 96 CD GLN A 10 10.280 3.676 -6.116 1.00 0.00 C ATOM 97 OE1 GLN A 10 9.567 4.594 -6.521 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.534 3.865 -5.722 1.00 0.00 N ATOM 0 H GLN A 10 8.837 0.694 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 10 9.576 -0.186 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.555 2.179 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.038 2.365 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.099 2.159 -5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.589 1.572 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.090 3.075 -5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.941 4.800 -5.748 1.00 0.00 H new ATOM 107 N PRO A 11 7.586 -0.484 -5.430 1.00 0.00 N ATOM 108 CA PRO A 11 6.436 -0.879 -4.610 1.00 0.00 C ATOM 109 C PRO A 11 5.584 0.315 -4.193 1.00 0.00 C ATOM 110 O PRO A 11 4.379 0.186 -3.983 1.00 0.00 O ATOM 111 CB PRO A 11 7.081 -1.530 -3.384 1.00 0.00 C ATOM 112 CG PRO A 11 8.435 -0.914 -3.297 1.00 0.00 C ATOM 113 CD PRO A 11 8.862 -0.650 -4.714 1.00 0.00 C ATOM 0 HA PRO A 11 5.757 -1.538 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.500 -1.338 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.145 -2.612 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.407 0.010 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.136 -1.582 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.483 0.243 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.445 -1.477 -5.119 1.00 0.00 H new ATOM 121 N ASN A 12 6.218 1.477 -4.076 1.00 0.00 N ATOM 122 CA ASN A 12 5.518 2.694 -3.683 1.00 0.00 C ATOM 123 C ASN A 12 4.934 3.403 -4.902 1.00 0.00 C ATOM 124 O ASN A 12 3.798 3.874 -4.874 1.00 0.00 O ATOM 125 CB ASN A 12 6.465 3.635 -2.937 1.00 0.00 C ATOM 126 CG ASN A 12 7.537 2.887 -2.169 1.00 0.00 C ATOM 127 OD1 ASN A 12 7.213 1.676 -1.728 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 8.644 3.390 -1.974 1.00 0.00 N flip ATOM 0 H ASN A 12 7.216 1.601 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 12 4.699 2.414 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.937 4.311 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.890 4.252 -2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.850 4.323 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.355 2.874 -1.456 1.00 0.00 H new ATOM 135 N ALA A 13 5.720 3.473 -5.971 1.00 0.00 N ATOM 136 CA ALA A 13 5.281 4.121 -7.201 1.00 0.00 C ATOM 137 C ALA A 13 4.012 3.471 -7.741 1.00 0.00 C ATOM 138 O ALA A 13 2.998 4.140 -7.941 1.00 0.00 O ATOM 139 CB ALA A 13 6.386 4.074 -8.246 1.00 0.00 C ATOM 0 H ALA A 13 6.664 3.089 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 13 5.056 5.163 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.044 4.561 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.268 4.591 -7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.639 3.036 -8.462 1.00 0.00 H new ATOM 145 N ILE A 14 4.076 2.165 -7.976 1.00 0.00 N ATOM 146 CA ILE A 14 2.931 1.426 -8.493 1.00 0.00 C ATOM 147 C ILE A 14 1.690 1.666 -7.639 1.00 0.00 C ATOM 148 O ILE A 14 0.578 1.777 -8.157 1.00 0.00 O ATOM 149 CB ILE A 14 3.216 -0.087 -8.551 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.418 -0.367 -9.455 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.989 -0.839 -9.043 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.966 -1.769 -9.313 1.00 0.00 C ATOM 0 H ILE A 14 4.908 1.597 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 14 2.750 1.792 -9.504 1.00 0.00 H new ATOM 0 HB ILE A 14 3.452 -0.436 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.128 -0.202 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.208 0.348 -9.227 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.206 -1.907 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.156 -0.661 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.724 -0.489 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.816 -1.897 -9.983 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.287 -1.932 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.190 -2.491 -9.569 1.00 0.00 H new ATOM 164 N LEU A 15 1.888 1.747 -6.328 1.00 0.00 N ATOM 165 CA LEU A 15 0.786 1.976 -5.400 1.00 0.00 C ATOM 166 C LEU A 15 0.172 3.355 -5.615 1.00 0.00 C ATOM 167 O LEU A 15 -1.048 3.513 -5.585 1.00 0.00 O ATOM 168 CB LEU A 15 1.272 1.840 -3.956 1.00 0.00 C ATOM 169 CG LEU A 15 1.189 0.439 -3.349 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.992 0.368 -2.060 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.261 0.052 -3.098 1.00 0.00 C ATOM 0 H LEU A 15 2.802 1.657 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 15 0.020 1.224 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.309 2.173 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.691 2.519 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 15 1.616 -0.270 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.921 -0.636 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.036 0.602 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.595 1.088 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.301 -0.948 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.713 0.764 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.809 0.062 -4.040 1.00 0.00 H new ATOM 183 N GLU A 16 1.026 4.351 -5.832 1.00 0.00 N ATOM 184 CA GLU A 16 0.566 5.717 -6.053 1.00 0.00 C ATOM 185 C GLU A 16 -0.277 5.808 -7.322 1.00 0.00 C ATOM 186 O GLU A 16 -1.222 6.594 -7.398 1.00 0.00 O ATOM 187 CB GLU A 16 1.758 6.671 -6.150 1.00 0.00 C ATOM 188 CG GLU A 16 1.369 8.099 -6.489 1.00 0.00 C ATOM 189 CD GLU A 16 1.071 8.288 -7.964 1.00 0.00 C ATOM 190 OE1 GLU A 16 1.556 7.474 -8.777 1.00 0.00 O ATOM 191 OE2 GLU A 16 0.353 9.251 -8.305 1.00 0.00 O ATOM 0 H GLU A 16 2.039 4.237 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.053 6.007 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.295 6.665 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.447 6.301 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.492 8.381 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.176 8.771 -6.196 1.00 0.00 H new ATOM 198 N LYS A 17 0.073 5.000 -8.317 1.00 0.00 N ATOM 199 CA LYS A 17 -0.650 4.988 -9.583 1.00 0.00 C ATOM 200 C LYS A 17 -2.108 4.593 -9.374 1.00 0.00 C ATOM 201 O LYS A 17 -3.021 5.311 -9.781 1.00 0.00 O ATOM 202 CB LYS A 17 0.016 4.020 -10.565 1.00 0.00 C ATOM 203 CG LYS A 17 -0.791 3.788 -11.831 1.00 0.00 C ATOM 204 CD LYS A 17 -0.049 2.890 -12.807 1.00 0.00 C ATOM 205 CE LYS A 17 -0.310 1.419 -12.519 1.00 0.00 C ATOM 206 NZ LYS A 17 0.528 0.918 -11.394 1.00 0.00 N ATOM 0 H LYS A 17 0.853 4.345 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.621 5.995 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.998 4.408 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.178 3.064 -10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.749 3.336 -11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.007 4.745 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.359 3.123 -13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.021 3.090 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.364 1.277 -12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.106 0.832 -13.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.977 0.021 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.263 1.619 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.070 0.763 -10.557 1.00 0.00 H new ATOM 220 N VAL A 18 -2.320 3.446 -8.735 1.00 0.00 N ATOM 221 CA VAL A 18 -3.668 2.957 -8.468 1.00 0.00 C ATOM 222 C VAL A 18 -4.363 3.809 -7.412 1.00 0.00 C ATOM 223 O VAL A 18 -5.553 3.639 -7.146 1.00 0.00 O ATOM 224 CB VAL A 18 -3.650 1.490 -7.999 1.00 0.00 C ATOM 225 CG1 VAL A 18 -5.067 0.959 -7.852 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.848 0.632 -8.966 1.00 0.00 C ATOM 0 H VAL A 18 -1.576 2.838 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.221 3.024 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.168 1.445 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.034 -0.079 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.606 1.558 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.579 1.016 -8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.846 -0.401 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.300 0.681 -9.957 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.823 1.000 -9.016 1.00 0.00 H new ATOM 236 N PHE A 19 -3.612 4.726 -6.812 1.00 0.00 N ATOM 237 CA PHE A 19 -4.156 5.605 -5.783 1.00 0.00 C ATOM 238 C PHE A 19 -4.945 6.752 -6.409 1.00 0.00 C ATOM 239 O PHE A 19 -6.040 7.088 -5.956 1.00 0.00 O ATOM 240 CB PHE A 19 -3.029 6.163 -4.911 1.00 0.00 C ATOM 241 CG PHE A 19 -3.519 6.913 -3.706 1.00 0.00 C ATOM 242 CD1 PHE A 19 -3.820 6.242 -2.531 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.678 8.289 -3.747 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.272 6.930 -1.421 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.129 8.982 -2.639 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.425 8.302 -1.474 1.00 0.00 C ATOM 0 H PHE A 19 -2.625 4.880 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.832 5.019 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.393 5.341 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.408 6.826 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.700 5.170 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.447 8.826 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.506 6.395 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.250 10.054 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.775 8.841 -0.606 1.00 0.00 H new ATOM 256 N THR A 20 -4.380 7.351 -7.453 1.00 0.00 N ATOM 257 CA THR A 20 -5.028 8.461 -8.140 1.00 0.00 C ATOM 258 C THR A 20 -5.598 8.018 -9.483 1.00 0.00 C ATOM 259 O THR A 20 -6.662 8.476 -9.897 1.00 0.00 O ATOM 260 CB THR A 20 -4.049 9.628 -8.370 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.034 9.239 -9.302 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.404 10.059 -7.061 1.00 0.00 C ATOM 0 H THR A 20 -3.475 7.086 -7.841 1.00 0.00 H new ATOM 0 HA THR A 20 -5.840 8.800 -7.497 1.00 0.00 H new ATOM 0 HB THR A 20 -4.610 10.470 -8.775 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.417 9.987 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.717 10.884 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.177 10.382 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.856 9.220 -6.632 1.00 0.00 H new ATOM 270 N ALA A 21 -4.882 7.125 -10.158 1.00 0.00 N ATOM 271 CA ALA A 21 -5.319 6.618 -11.454 1.00 0.00 C ATOM 272 C ALA A 21 -6.636 5.860 -11.331 1.00 0.00 C ATOM 273 O ALA A 21 -7.502 5.957 -12.201 1.00 0.00 O ATOM 274 CB ALA A 21 -4.247 5.724 -12.059 1.00 0.00 C ATOM 0 H ALA A 21 -3.997 6.738 -9.830 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.481 7.470 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.586 5.352 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.329 6.296 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.057 4.882 -11.393 1.00 0.00 H new ATOM 280 N ILE A 22 -6.781 5.106 -10.247 1.00 0.00 N ATOM 281 CA ILE A 22 -7.993 4.332 -10.012 1.00 0.00 C ATOM 282 C ILE A 22 -8.801 4.913 -8.857 1.00 0.00 C ATOM 283 O ILE A 22 -9.905 5.423 -9.050 1.00 0.00 O ATOM 284 CB ILE A 22 -7.669 2.857 -9.706 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.717 2.292 -10.762 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.948 2.036 -9.645 1.00 0.00 C ATOM 287 CD1 ILE A 22 -7.251 2.392 -12.173 1.00 0.00 C ATOM 0 H ILE A 22 -6.074 5.015 -9.517 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.583 4.384 -10.927 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.178 2.802 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.767 2.823 -10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.513 1.246 -10.533 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.703 0.996 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.595 2.428 -8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.464 2.095 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.524 1.972 -12.868 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.186 1.837 -12.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.429 3.438 -12.422 1.00 0.00 H new ATOM 299 N THR A 23 -8.242 4.835 -7.653 1.00 0.00 N ATOM 300 CA THR A 23 -8.910 5.354 -6.466 1.00 0.00 C ATOM 301 C THR A 23 -8.008 5.256 -5.240 1.00 0.00 C ATOM 302 O THR A 23 -6.979 4.580 -5.267 1.00 0.00 O ATOM 303 CB THR A 23 -10.223 4.600 -6.184 1.00 0.00 C ATOM 304 OG1 THR A 23 -11.072 5.390 -5.344 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.946 3.260 -5.518 1.00 0.00 C ATOM 0 H THR A 23 -7.329 4.417 -7.475 1.00 0.00 H new ATOM 0 HA THR A 23 -9.137 6.401 -6.665 1.00 0.00 H new ATOM 0 HB THR A 23 -10.723 4.418 -7.136 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.905 4.904 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.888 2.746 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.325 2.649 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.426 3.423 -4.574 1.00 0.00 H new ATOM 313 N LYS A 24 -8.400 5.933 -4.167 1.00 0.00 N ATOM 314 CA LYS A 24 -7.629 5.920 -2.930 1.00 0.00 C ATOM 315 C LYS A 24 -8.003 4.719 -2.067 1.00 0.00 C ATOM 316 O LYS A 24 -7.206 4.257 -1.249 1.00 0.00 O ATOM 317 CB LYS A 24 -7.860 7.215 -2.147 1.00 0.00 C ATOM 318 CG LYS A 24 -7.522 8.470 -2.934 1.00 0.00 C ATOM 319 CD LYS A 24 -8.383 9.646 -2.503 1.00 0.00 C ATOM 320 CE LYS A 24 -7.870 10.954 -3.087 1.00 0.00 C ATOM 321 NZ LYS A 24 -8.527 12.135 -2.462 1.00 0.00 N ATOM 0 H LYS A 24 -9.248 6.498 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.573 5.843 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.904 7.261 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.258 7.193 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.470 8.717 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.666 8.283 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.412 9.482 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.394 9.711 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.792 11.019 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.048 10.966 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.151 13.007 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.553 12.087 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.336 12.138 -1.440 1.00 0.00 H new ATOM 335 N HIS A 25 -9.218 4.216 -2.256 1.00 0.00 N ATOM 336 CA HIS A 25 -9.697 3.066 -1.497 1.00 0.00 C ATOM 337 C HIS A 25 -9.974 1.883 -2.419 1.00 0.00 C ATOM 338 O HIS A 25 -11.115 1.610 -2.791 1.00 0.00 O ATOM 339 CB HIS A 25 -10.963 3.431 -0.721 1.00 0.00 C ATOM 340 CG HIS A 25 -10.832 4.689 0.081 1.00 0.00 C ATOM 341 ND1 HIS A 25 -11.206 5.960 -0.197 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -10.254 4.727 1.333 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -10.853 6.734 0.881 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -10.280 5.966 1.790 1.00 0.00 N flip ATOM 0 H HIS A 25 -9.890 4.587 -2.928 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.918 2.778 -0.791 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.790 3.541 -1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.219 2.609 -0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.844 3.877 1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.017 7.798 0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.919 6.277 2.692 1.00 0.00 H new ATOM 353 N PRO A 26 -8.907 1.164 -2.798 1.00 0.00 N ATOM 354 CA PRO A 26 -9.011 -0.001 -3.681 1.00 0.00 C ATOM 355 C PRO A 26 -9.690 -1.185 -3.002 1.00 0.00 C ATOM 356 O PRO A 26 -9.707 -1.283 -1.775 1.00 0.00 O ATOM 357 CB PRO A 26 -7.552 -0.334 -4.002 1.00 0.00 C ATOM 358 CG PRO A 26 -6.778 0.206 -2.849 1.00 0.00 C ATOM 359 CD PRO A 26 -7.517 1.433 -2.392 1.00 0.00 C ATOM 0 HA PRO A 26 -9.619 0.208 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.405 -1.409 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.238 0.125 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.709 -0.529 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.758 0.452 -3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.433 1.575 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.128 2.336 -2.863 1.00 0.00 H new ATOM 367 N ASP A 27 -10.248 -2.082 -3.807 1.00 0.00 N ATOM 368 CA ASP A 27 -10.928 -3.262 -3.283 1.00 0.00 C ATOM 369 C ASP A 27 -9.955 -4.426 -3.130 1.00 0.00 C ATOM 370 O ASP A 27 -8.804 -4.346 -3.557 1.00 0.00 O ATOM 371 CB ASP A 27 -12.082 -3.663 -4.203 1.00 0.00 C ATOM 372 CG ASP A 27 -13.255 -2.707 -4.111 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.946 -2.714 -3.070 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.482 -1.952 -5.079 1.00 0.00 O ATOM 0 H ASP A 27 -10.243 -2.015 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.328 -3.014 -2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.726 -3.699 -5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.415 -4.668 -3.946 1.00 0.00 H new ATOM 379 N GLU A 28 -10.426 -5.508 -2.516 1.00 0.00 N ATOM 380 CA GLU A 28 -9.596 -6.688 -2.305 1.00 0.00 C ATOM 381 C GLU A 28 -8.999 -7.176 -3.622 1.00 0.00 C ATOM 382 O GLU A 28 -7.795 -7.413 -3.721 1.00 0.00 O ATOM 383 CB GLU A 28 -10.416 -7.806 -1.658 1.00 0.00 C ATOM 384 CG GLU A 28 -11.032 -7.416 -0.325 1.00 0.00 C ATOM 385 CD GLU A 28 -11.964 -8.480 0.220 1.00 0.00 C ATOM 386 OE1 GLU A 28 -13.158 -8.469 -0.147 1.00 0.00 O ATOM 387 OE2 GLU A 28 -11.500 -9.324 1.015 1.00 0.00 O ATOM 0 H GLU A 28 -11.377 -5.591 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.780 -6.412 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.210 -8.105 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.776 -8.676 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.237 -7.230 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.582 -6.482 -0.442 1.00 0.00 H new ATOM 394 N LYS A 29 -9.851 -7.325 -4.631 1.00 0.00 N ATOM 395 CA LYS A 29 -9.411 -7.784 -5.943 1.00 0.00 C ATOM 396 C LYS A 29 -8.338 -6.861 -6.511 1.00 0.00 C ATOM 397 O LYS A 29 -7.451 -7.300 -7.243 1.00 0.00 O ATOM 398 CB LYS A 29 -10.598 -7.857 -6.906 1.00 0.00 C ATOM 399 CG LYS A 29 -11.582 -8.966 -6.575 1.00 0.00 C ATOM 400 CD LYS A 29 -11.093 -10.313 -7.080 1.00 0.00 C ATOM 401 CE LYS A 29 -12.042 -11.434 -6.683 1.00 0.00 C ATOM 402 NZ LYS A 29 -11.589 -12.754 -7.203 1.00 0.00 N ATOM 0 H LYS A 29 -10.851 -7.134 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.984 -8.780 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.123 -6.902 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.225 -8.004 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.730 -9.013 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.551 -8.739 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.997 -10.283 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.100 -10.515 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.118 -11.478 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.040 -11.217 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.262 -13.491 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.541 -12.720 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.647 -12.973 -6.820 1.00 0.00 H new ATOM 416 N ARG A 30 -8.424 -5.580 -6.167 1.00 0.00 N ATOM 417 CA ARG A 30 -7.460 -4.595 -6.643 1.00 0.00 C ATOM 418 C ARG A 30 -6.110 -4.778 -5.954 1.00 0.00 C ATOM 419 O ARG A 30 -5.069 -4.835 -6.610 1.00 0.00 O ATOM 420 CB ARG A 30 -7.982 -3.178 -6.396 1.00 0.00 C ATOM 421 CG ARG A 30 -7.284 -2.118 -7.231 1.00 0.00 C ATOM 422 CD ARG A 30 -8.172 -0.901 -7.443 1.00 0.00 C ATOM 423 NE ARG A 30 -9.355 -1.219 -8.238 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.323 -1.441 -9.547 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.173 -1.381 -10.205 1.00 0.00 N ATOM 426 NH2 ARG A 30 -10.442 -1.725 -10.201 1.00 0.00 N ATOM 0 H ARG A 30 -9.151 -5.200 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.325 -4.744 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.051 -3.151 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.862 -2.934 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.361 -1.814 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.006 -2.539 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.481 -0.505 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.601 -0.117 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.255 -1.274 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.310 -1.164 -9.706 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.151 -1.552 -11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.328 -1.773 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.416 -1.895 -11.206 1.00 0.00 H new ATOM 440 N LEU A 31 -6.136 -4.870 -4.629 1.00 0.00 N ATOM 441 CA LEU A 31 -4.915 -5.046 -3.851 1.00 0.00 C ATOM 442 C LEU A 31 -4.170 -6.304 -4.285 1.00 0.00 C ATOM 443 O LEU A 31 -2.972 -6.262 -4.565 1.00 0.00 O ATOM 444 CB LEU A 31 -5.244 -5.123 -2.359 1.00 0.00 C ATOM 445 CG LEU A 31 -5.987 -3.922 -1.773 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.871 -4.355 -0.614 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.001 -2.853 -1.324 1.00 0.00 C ATOM 0 H LEU A 31 -6.989 -4.826 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.271 -4.185 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.844 -6.016 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.312 -5.253 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.624 -3.498 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.392 -3.487 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.600 -5.085 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.255 -4.804 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.547 -2.005 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.339 -3.265 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.410 -2.521 -2.178 1.00 0.00 H new ATOM 459 N GLU A 32 -4.887 -7.422 -4.338 1.00 0.00 N ATOM 460 CA GLU A 32 -4.293 -8.692 -4.739 1.00 0.00 C ATOM 461 C GLU A 32 -3.333 -8.498 -5.909 1.00 0.00 C ATOM 462 O GLU A 32 -2.179 -8.923 -5.857 1.00 0.00 O ATOM 463 CB GLU A 32 -5.385 -9.693 -5.123 1.00 0.00 C ATOM 464 CG GLU A 32 -5.878 -10.532 -3.956 1.00 0.00 C ATOM 465 CD GLU A 32 -4.941 -11.677 -3.625 1.00 0.00 C ATOM 466 OE1 GLU A 32 -3.789 -11.404 -3.226 1.00 0.00 O ATOM 467 OE2 GLU A 32 -5.359 -12.846 -3.764 1.00 0.00 O ATOM 0 H GLU A 32 -5.879 -7.474 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.732 -9.085 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.228 -9.152 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.003 -10.355 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.992 -9.896 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.865 -10.931 -4.191 1.00 0.00 H new ATOM 474 N GLY A 33 -3.818 -7.852 -6.965 1.00 0.00 N ATOM 475 CA GLY A 33 -2.991 -7.613 -8.133 1.00 0.00 C ATOM 476 C GLY A 33 -1.625 -7.062 -7.774 1.00 0.00 C ATOM 477 O GLY A 33 -0.601 -7.575 -8.227 1.00 0.00 O ATOM 0 H GLY A 33 -4.769 -7.490 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.870 -8.545 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.499 -6.913 -8.797 1.00 0.00 H new ATOM 481 N LEU A 34 -1.608 -6.013 -6.959 1.00 0.00 N ATOM 482 CA LEU A 34 -0.358 -5.390 -6.540 1.00 0.00 C ATOM 483 C LEU A 34 0.509 -6.377 -5.764 1.00 0.00 C ATOM 484 O LEU A 34 1.720 -6.454 -5.974 1.00 0.00 O ATOM 485 CB LEU A 34 -0.642 -4.158 -5.679 1.00 0.00 C ATOM 486 CG LEU A 34 -0.962 -2.869 -6.437 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.413 -1.781 -5.475 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.248 -2.407 -7.237 1.00 0.00 C ATOM 0 H LEU A 34 -2.446 -5.576 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 34 0.184 -5.083 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.480 -4.386 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.224 -3.976 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.777 -3.072 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.636 -0.872 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.307 -2.111 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.619 -1.580 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.003 -1.489 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.082 -2.222 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.527 -3.179 -7.954 1.00 0.00 H new ATOM 500 N SER A 35 -0.119 -7.131 -4.868 1.00 0.00 N ATOM 501 CA SER A 35 0.595 -8.112 -4.059 1.00 0.00 C ATOM 502 C SER A 35 1.733 -8.745 -4.853 1.00 0.00 C ATOM 503 O SER A 35 2.800 -9.034 -4.310 1.00 0.00 O ATOM 504 CB SER A 35 -0.366 -9.198 -3.570 1.00 0.00 C ATOM 505 OG SER A 35 -0.475 -10.247 -4.517 1.00 0.00 O ATOM 0 H SER A 35 -1.121 -7.082 -4.684 1.00 0.00 H new ATOM 0 HA SER A 35 1.019 -7.597 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.014 -9.598 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.349 -8.763 -3.389 1.00 0.00 H new ATOM 0 HG SER A 35 -0.978 -9.933 -5.297 1.00 0.00 H new ATOM 511 N LYS A 36 1.499 -8.959 -6.144 1.00 0.00 N ATOM 512 CA LYS A 36 2.504 -9.556 -7.016 1.00 0.00 C ATOM 513 C LYS A 36 3.688 -8.614 -7.207 1.00 0.00 C ATOM 514 O LYS A 36 4.833 -8.983 -6.950 1.00 0.00 O ATOM 515 CB LYS A 36 1.889 -9.902 -8.374 1.00 0.00 C ATOM 516 CG LYS A 36 2.708 -10.898 -9.177 1.00 0.00 C ATOM 517 CD LYS A 36 2.346 -10.857 -10.652 1.00 0.00 C ATOM 518 CE LYS A 36 2.603 -12.196 -11.326 1.00 0.00 C ATOM 519 NZ LYS A 36 1.488 -13.156 -11.094 1.00 0.00 N ATOM 0 H LYS A 36 0.621 -8.728 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 36 2.863 -10.470 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.890 -10.308 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.774 -8.987 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.769 -10.680 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.543 -11.903 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.295 -10.588 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.928 -10.081 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.735 -12.044 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.533 -12.621 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.701 -14.056 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.378 -13.321 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.605 -12.762 -11.478 1.00 0.00 H new ATOM 533 N GLN A 37 3.403 -7.397 -7.658 1.00 0.00 N ATOM 534 CA GLN A 37 4.446 -6.402 -7.883 1.00 0.00 C ATOM 535 C GLN A 37 5.129 -6.025 -6.573 1.00 0.00 C ATOM 536 O GLN A 37 6.357 -6.046 -6.472 1.00 0.00 O ATOM 537 CB GLN A 37 3.856 -5.154 -8.542 1.00 0.00 C ATOM 538 CG GLN A 37 3.474 -5.358 -9.999 1.00 0.00 C ATOM 539 CD GLN A 37 2.105 -5.989 -10.160 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.070 -5.278 -9.728 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 1.979 -7.104 -10.668 1.00 0.00 N flip ATOM 0 H GLN A 37 2.459 -7.076 -7.875 1.00 0.00 H new ATOM 0 HA GLN A 37 5.191 -6.837 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.973 -4.842 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.580 -4.342 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.490 -4.397 -10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.220 -5.990 -10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.802 -7.615 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.052 -7.516 -10.770 1.00 0.00 H new ATOM 550 N LEU A 38 4.328 -5.680 -5.571 1.00 0.00 N ATOM 551 CA LEU A 38 4.856 -5.298 -4.266 1.00 0.00 C ATOM 552 C LEU A 38 5.455 -6.503 -3.546 1.00 0.00 C ATOM 553 O LEU A 38 6.295 -6.353 -2.659 1.00 0.00 O ATOM 554 CB LEU A 38 3.752 -4.676 -3.409 1.00 0.00 C ATOM 555 CG LEU A 38 2.814 -3.704 -4.126 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.690 -3.265 -3.200 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.587 -2.497 -4.639 1.00 0.00 C ATOM 0 H LEU A 38 3.310 -5.657 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 38 5.645 -4.562 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.153 -5.481 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.219 -4.151 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 38 2.373 -4.218 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.033 -2.574 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.119 -4.137 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.112 -2.769 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.904 -1.816 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.056 -1.982 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.355 -2.827 -5.338 1.00 0.00 H new ATOM 569 N ASP A 39 5.019 -7.695 -3.937 1.00 0.00 N ATOM 570 CA ASP A 39 5.514 -8.926 -3.332 1.00 0.00 C ATOM 571 C ASP A 39 5.123 -9.003 -1.860 1.00 0.00 C ATOM 572 O ASP A 39 5.805 -9.644 -1.059 1.00 0.00 O ATOM 573 CB ASP A 39 7.035 -9.013 -3.474 1.00 0.00 C ATOM 574 CG ASP A 39 7.491 -8.872 -4.913 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.441 -9.877 -5.653 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.897 -7.756 -5.299 1.00 0.00 O ATOM 0 H ASP A 39 4.324 -7.835 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 39 5.059 -9.768 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.499 -8.232 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.380 -9.968 -3.079 1.00 0.00 H new ATOM 581 N TRP A 40 4.024 -8.346 -1.510 1.00 0.00 N ATOM 582 CA TRP A 40 3.543 -8.340 -0.133 1.00 0.00 C ATOM 583 C TRP A 40 2.181 -9.018 -0.028 1.00 0.00 C ATOM 584 O TRP A 40 1.630 -9.481 -1.027 1.00 0.00 O ATOM 585 CB TRP A 40 3.453 -6.906 0.391 1.00 0.00 C ATOM 586 CG TRP A 40 4.677 -6.090 0.102 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.939 -6.559 -0.127 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.754 -4.663 0.012 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.796 -5.509 -0.354 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.094 -4.336 -0.275 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.822 -3.631 0.143 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.521 -3.020 -0.430 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.248 -2.325 -0.011 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.587 -2.029 -0.296 1.00 0.00 C ATOM 0 H TRP A 40 3.449 -7.810 -2.160 1.00 0.00 H new ATOM 0 HA TRP A 40 4.254 -8.899 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.586 -6.418 -0.054 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.287 -6.930 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.222 -7.601 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.794 -5.590 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.787 -3.849 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.553 -2.789 -0.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.536 -1.519 0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.888 -0.998 -0.412 1.00 0.00 H new ATOM 605 N ASP A 41 1.644 -9.074 1.185 1.00 0.00 N ATOM 606 CA ASP A 41 0.346 -9.695 1.419 1.00 0.00 C ATOM 607 C ASP A 41 -0.781 -8.680 1.249 1.00 0.00 C ATOM 608 O ASP A 41 -0.589 -7.483 1.463 1.00 0.00 O ATOM 609 CB ASP A 41 0.293 -10.304 2.821 1.00 0.00 C ATOM 610 CG ASP A 41 1.357 -11.362 3.033 1.00 0.00 C ATOM 611 OD1 ASP A 41 1.738 -12.027 2.047 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.810 -11.526 4.186 1.00 0.00 O ATOM 0 H ASP A 41 2.088 -8.697 2.022 1.00 0.00 H new ATOM 0 HA ASP A 41 0.212 -10.487 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.417 -9.514 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.691 -10.744 2.986 1.00 0.00 H new ATOM 617 N VAL A 42 -1.955 -9.167 0.861 1.00 0.00 N ATOM 618 CA VAL A 42 -3.113 -8.303 0.662 1.00 0.00 C ATOM 619 C VAL A 42 -3.298 -7.352 1.839 1.00 0.00 C ATOM 620 O VAL A 42 -3.852 -6.263 1.689 1.00 0.00 O ATOM 621 CB VAL A 42 -4.401 -9.126 0.473 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.520 -8.249 -0.069 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.147 -10.309 -0.449 1.00 0.00 C ATOM 0 H VAL A 42 -2.130 -10.155 0.678 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.925 -7.724 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.711 -9.511 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.422 -8.847 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.718 -7.438 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.222 -7.833 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.068 -10.879 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.812 -9.947 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.378 -10.949 -0.016 1.00 0.00 H new ATOM 633 N ARG A 43 -2.830 -7.772 3.010 1.00 0.00 N ATOM 634 CA ARG A 43 -2.945 -6.958 4.214 1.00 0.00 C ATOM 635 C ARG A 43 -1.791 -5.964 4.311 1.00 0.00 C ATOM 636 O ARG A 43 -1.963 -4.843 4.790 1.00 0.00 O ATOM 637 CB ARG A 43 -2.970 -7.849 5.458 1.00 0.00 C ATOM 638 CG ARG A 43 -4.003 -8.961 5.390 1.00 0.00 C ATOM 639 CD ARG A 43 -3.426 -10.221 4.763 1.00 0.00 C ATOM 640 NE ARG A 43 -4.094 -11.427 5.244 1.00 0.00 N ATOM 641 CZ ARG A 43 -4.034 -11.848 6.503 1.00 0.00 C ATOM 642 NH1 ARG A 43 -3.340 -11.164 7.402 1.00 0.00 N ATOM 643 NH2 ARG A 43 -4.669 -12.956 6.864 1.00 0.00 N ATOM 0 H ARG A 43 -2.368 -8.670 3.150 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.879 -6.400 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.983 -8.290 5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.171 -7.231 6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.364 -9.185 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.863 -8.625 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.521 -10.162 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.361 -10.283 4.987 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.636 -11.976 4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.850 -10.312 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.296 -11.490 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.204 -13.485 6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.623 -13.279 7.831 1.00 0.00 H new ATOM 657 N SER A 44 -0.616 -6.383 3.852 1.00 0.00 N ATOM 658 CA SER A 44 0.567 -5.531 3.890 1.00 0.00 C ATOM 659 C SER A 44 0.417 -4.351 2.935 1.00 0.00 C ATOM 660 O SER A 44 1.031 -3.301 3.128 1.00 0.00 O ATOM 661 CB SER A 44 1.814 -6.339 3.529 1.00 0.00 C ATOM 662 OG SER A 44 2.096 -7.312 4.520 1.00 0.00 O ATOM 0 H SER A 44 -0.458 -7.307 3.450 1.00 0.00 H new ATOM 0 HA SER A 44 0.674 -5.144 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.668 -6.828 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.667 -5.669 3.420 1.00 0.00 H new ATOM 0 HG SER A 44 2.897 -7.816 4.265 1.00 0.00 H new ATOM 668 N ILE A 45 -0.402 -4.531 1.905 1.00 0.00 N ATOM 669 CA ILE A 45 -0.633 -3.482 0.920 1.00 0.00 C ATOM 670 C ILE A 45 -1.489 -2.361 1.501 1.00 0.00 C ATOM 671 O ILE A 45 -1.060 -1.210 1.564 1.00 0.00 O ATOM 672 CB ILE A 45 -1.321 -4.035 -0.342 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.499 -5.181 -0.936 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.515 -2.929 -1.368 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.096 -5.763 -2.198 1.00 0.00 C ATOM 0 H ILE A 45 -0.917 -5.394 1.731 1.00 0.00 H new ATOM 0 HA ILE A 45 0.345 -3.086 0.647 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.301 -4.421 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.507 -4.822 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.402 -5.971 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.002 -3.336 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.137 -2.142 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.545 -2.516 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.460 -6.570 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.091 -6.153 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.168 -4.986 -2.959 1.00 0.00 H new ATOM 687 N GLN A 46 -2.700 -2.708 1.926 1.00 0.00 N ATOM 688 CA GLN A 46 -3.615 -1.732 2.503 1.00 0.00 C ATOM 689 C GLN A 46 -2.891 -0.824 3.492 1.00 0.00 C ATOM 690 O GLN A 46 -3.211 0.358 3.615 1.00 0.00 O ATOM 691 CB GLN A 46 -4.778 -2.441 3.201 1.00 0.00 C ATOM 692 CG GLN A 46 -5.824 -2.983 2.240 1.00 0.00 C ATOM 693 CD GLN A 46 -6.971 -3.670 2.954 1.00 0.00 C ATOM 694 OE1 GLN A 46 -8.116 -3.221 2.889 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.670 -4.766 3.641 1.00 0.00 N ATOM 0 H GLN A 46 -3.069 -3.658 1.881 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.007 -1.117 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.385 -3.263 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.256 -1.745 3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.215 -2.165 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.353 -3.688 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.708 -5.103 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.401 -5.271 4.142 1.00 0.00 H new ATOM 704 N ARG A 47 -1.913 -1.386 4.196 1.00 0.00 N ATOM 705 CA ARG A 47 -1.144 -0.628 5.175 1.00 0.00 C ATOM 706 C ARG A 47 -0.551 0.630 4.545 1.00 0.00 C ATOM 707 O ARG A 47 -0.545 1.698 5.157 1.00 0.00 O ATOM 708 CB ARG A 47 -0.026 -1.494 5.759 1.00 0.00 C ATOM 709 CG ARG A 47 -0.511 -2.501 6.789 1.00 0.00 C ATOM 710 CD ARG A 47 0.623 -2.973 7.684 1.00 0.00 C ATOM 711 NE ARG A 47 0.299 -4.222 8.367 1.00 0.00 N ATOM 712 CZ ARG A 47 1.130 -4.845 9.195 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.330 -4.336 9.442 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.762 -5.978 9.779 1.00 0.00 N ATOM 0 H ARG A 47 -1.635 -2.363 4.106 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.819 -0.329 5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.471 -2.027 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.721 -0.847 6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.294 -2.051 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.955 -3.357 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.524 -3.110 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.846 -2.203 8.423 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.616 -4.639 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.616 -3.465 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.967 -4.816 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.160 -6.372 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.401 -6.455 10.415 1.00 0.00 H new ATOM 728 N TRP A 48 -0.054 0.494 3.322 1.00 0.00 N ATOM 729 CA TRP A 48 0.542 1.619 2.610 1.00 0.00 C ATOM 730 C TRP A 48 -0.524 2.626 2.194 1.00 0.00 C ATOM 731 O TRP A 48 -0.337 3.835 2.332 1.00 0.00 O ATOM 732 CB TRP A 48 1.302 1.125 1.378 1.00 0.00 C ATOM 733 CG TRP A 48 1.993 2.222 0.626 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.314 2.563 0.704 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.399 3.123 -0.314 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.576 3.621 -0.132 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.418 3.983 -0.768 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.106 3.286 -0.818 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.181 4.990 -1.701 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.128 4.286 -1.743 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.906 5.127 -2.177 1.00 0.00 C ATOM 0 H TRP A 48 -0.051 -0.384 2.802 1.00 0.00 H new ATOM 0 HA TRP A 48 1.240 2.114 3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.041 0.386 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.606 0.619 0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.044 2.073 1.331 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.485 4.065 -0.259 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.697 2.642 -0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.976 5.640 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.124 4.422 -2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.692 5.899 -2.902 1.00 0.00 H new ATOM 752 N PHE A 49 -1.643 2.121 1.686 1.00 0.00 N ATOM 753 CA PHE A 49 -2.740 2.978 1.250 1.00 0.00 C ATOM 754 C PHE A 49 -3.250 3.837 2.402 1.00 0.00 C ATOM 755 O PHE A 49 -3.279 5.065 2.310 1.00 0.00 O ATOM 756 CB PHE A 49 -3.882 2.132 0.684 1.00 0.00 C ATOM 757 CG PHE A 49 -3.745 1.843 -0.783 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.144 2.776 -1.727 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.216 0.639 -1.220 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.020 2.512 -3.078 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.089 0.370 -2.569 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.490 1.308 -3.500 1.00 0.00 C ATOM 0 H PHE A 49 -1.814 1.123 1.566 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.364 3.638 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.929 1.189 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.826 2.648 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.557 3.720 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.899 -0.098 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.337 3.247 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.676 -0.573 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.390 1.101 -4.555 1.00 0.00 H new ATOM 772 N ARG A 50 -3.653 3.183 3.487 1.00 0.00 N ATOM 773 CA ARG A 50 -4.164 3.886 4.658 1.00 0.00 C ATOM 774 C ARG A 50 -3.147 4.902 5.168 1.00 0.00 C ATOM 775 O ARG A 50 -3.496 5.829 5.899 1.00 0.00 O ATOM 776 CB ARG A 50 -4.508 2.890 5.767 1.00 0.00 C ATOM 777 CG ARG A 50 -3.304 2.123 6.291 1.00 0.00 C ATOM 778 CD ARG A 50 -3.483 1.737 7.751 1.00 0.00 C ATOM 779 NE ARG A 50 -2.288 1.102 8.299 1.00 0.00 N ATOM 780 CZ ARG A 50 -2.217 0.608 9.530 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.267 0.675 10.336 1.00 0.00 N ATOM 782 NH2 ARG A 50 -1.094 0.045 9.957 1.00 0.00 N ATOM 0 H ARG A 50 -3.635 2.167 3.579 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.069 4.419 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.975 3.426 6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.245 2.180 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.154 1.225 5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.407 2.733 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.721 2.626 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.330 1.058 7.845 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.462 1.034 7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.132 1.107 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.210 0.295 11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.284 -0.009 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.041 -0.334 10.903 1.00 0.00 H new ATOM 796 N GLN A 51 -1.890 4.721 4.779 1.00 0.00 N ATOM 797 CA GLN A 51 -0.823 5.621 5.199 1.00 0.00 C ATOM 798 C GLN A 51 -0.745 6.838 4.283 1.00 0.00 C ATOM 799 O GLN A 51 -0.543 7.962 4.743 1.00 0.00 O ATOM 800 CB GLN A 51 0.519 4.888 5.207 1.00 0.00 C ATOM 801 CG GLN A 51 0.828 4.197 6.526 1.00 0.00 C ATOM 802 CD GLN A 51 2.316 4.070 6.785 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.871 4.766 7.635 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.971 3.178 6.051 1.00 0.00 N ATOM 0 H GLN A 51 -1.585 3.959 4.173 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.048 5.963 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.523 4.146 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.314 5.600 4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.368 4.756 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.377 3.205 6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.471 2.622 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.974 3.049 6.181 1.00 0.00 H new ATOM 813 N ARG A 52 -0.906 6.606 2.984 1.00 0.00 N ATOM 814 CA ARG A 52 -0.853 7.683 2.003 1.00 0.00 C ATOM 815 C ARG A 52 -1.969 8.695 2.245 1.00 0.00 C ATOM 816 O ARG A 52 -1.722 9.898 2.331 1.00 0.00 O ATOM 817 CB ARG A 52 -0.962 7.116 0.586 1.00 0.00 C ATOM 818 CG ARG A 52 -0.689 8.142 -0.502 1.00 0.00 C ATOM 819 CD ARG A 52 0.803 8.329 -0.730 1.00 0.00 C ATOM 820 NE ARG A 52 1.083 9.447 -1.626 1.00 0.00 N ATOM 821 CZ ARG A 52 2.302 9.933 -1.837 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.347 9.401 -1.218 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.477 10.953 -2.668 1.00 0.00 N ATOM 0 H ARG A 52 -1.074 5.682 2.587 1.00 0.00 H new ATOM 0 HA ARG A 52 0.105 8.192 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.259 6.290 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.961 6.705 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.163 7.824 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.138 9.096 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.298 8.498 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.223 7.415 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 52 0.300 9.879 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.216 8.617 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.282 9.776 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.675 11.365 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.413 11.325 -2.829 1.00 0.00 H new ATOM 837 N ARG A 53 -3.197 8.198 2.354 1.00 0.00 N ATOM 838 CA ARG A 53 -4.351 9.059 2.584 1.00 0.00 C ATOM 839 C ARG A 53 -4.073 10.052 3.709 1.00 0.00 C ATOM 840 O ARG A 53 -4.228 11.260 3.536 1.00 0.00 O ATOM 841 CB ARG A 53 -5.582 8.217 2.925 1.00 0.00 C ATOM 842 CG ARG A 53 -5.912 7.168 1.876 1.00 0.00 C ATOM 843 CD ARG A 53 -7.279 6.548 2.119 1.00 0.00 C ATOM 844 NE ARG A 53 -7.226 5.480 3.114 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.289 5.691 4.424 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.406 6.926 4.894 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.234 4.668 5.266 1.00 0.00 N ATOM 0 H ARG A 53 -3.418 7.205 2.287 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.544 9.618 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.419 7.722 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.440 8.877 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.888 7.622 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.150 6.388 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.973 7.320 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.669 6.151 1.182 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.136 4.519 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.448 7.715 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.454 7.086 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.143 3.717 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.282 4.832 6.272 1.00 0.00 H new ATOM 861 N ASN A 54 -3.662 9.533 4.861 1.00 0.00 N ATOM 862 CA ASN A 54 -3.363 10.374 6.015 1.00 0.00 C ATOM 863 C ASN A 54 -2.602 11.626 5.593 1.00 0.00 C ATOM 864 O ASN A 54 -2.903 12.730 6.047 1.00 0.00 O ATOM 865 CB ASN A 54 -2.548 9.590 7.046 1.00 0.00 C ATOM 866 CG ASN A 54 -2.578 10.235 8.418 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.578 11.460 8.541 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.603 9.410 9.458 1.00 0.00 N ATOM 0 H ASN A 54 -3.528 8.535 5.021 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.307 10.680 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.937 8.574 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.515 9.513 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.623 9.785 10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.602 8.401 9.309 1.00 0.00 H new