USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.31 K(o=-2.3,f=-7.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0567 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.086 (180deg=-0.372) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc=-0.00316 (180deg=-0.0972) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.63! C(o=-4.6!,f=-4!) USER MOD Single : A 36 GLN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 79:sc= 0.915 USER MOD Single : A 50 ASN : amide:sc= -3.49 K(o=-3.5,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -4.060 -9.406 -6.198 1.00 33.12 N ATOM 29 CA GLU A 3 -4.433 -8.535 -5.089 1.00 33.54 C ATOM 30 C GLU A 3 -4.279 -9.258 -3.755 1.00 11.45 C ATOM 31 O GLU A 3 -4.150 -8.627 -2.706 1.00 24.35 O ATOM 32 CB GLU A 3 -5.874 -8.049 -5.256 1.00 14.42 C ATOM 33 CG GLU A 3 -6.913 -9.120 -4.972 1.00 71.41 C ATOM 34 CD GLU A 3 -7.519 -8.993 -3.588 1.00 13.11 C ATOM 35 OE1 GLU A 3 -8.296 -8.042 -3.364 1.00 30.13 O ATOM 36 OE2 GLU A 3 -7.216 -9.847 -2.728 1.00 62.10 O ATOM 0 HA GLU A 3 -3.764 -7.674 -5.095 1.00 33.54 H new ATOM 0 HB2 GLU A 3 -6.043 -7.204 -4.589 1.00 14.42 H new ATOM 0 HB3 GLU A 3 -6.010 -7.683 -6.274 1.00 14.42 H new ATOM 0 HG2 GLU A 3 -7.705 -9.059 -5.718 1.00 71.41 H new ATOM 0 HG3 GLU A 3 -6.453 -10.103 -5.074 1.00 71.41 H new ATOM 43 N ALA A 4 -4.292 -10.585 -3.802 1.00 35.02 N ATOM 44 CA ALA A 4 -4.151 -11.395 -2.598 1.00 64.44 C ATOM 45 C ALA A 4 -2.878 -11.037 -1.840 1.00 25.01 C ATOM 46 O ALA A 4 -2.773 -11.271 -0.636 1.00 2.31 O ATOM 47 CB ALA A 4 -4.158 -12.875 -2.953 1.00 64.24 C ATOM 0 H ALA A 4 -4.399 -11.123 -4.662 1.00 35.02 H new ATOM 0 HA ALA A 4 -5.000 -11.184 -1.948 1.00 64.44 H new ATOM 0 HB1 ALA A 4 -4.052 -13.468 -2.044 1.00 64.24 H new ATOM 0 HB2 ALA A 4 -5.098 -13.127 -3.443 1.00 64.24 H new ATOM 0 HB3 ALA A 4 -3.329 -13.092 -3.626 1.00 64.24 H new ATOM 53 N LEU A 5 -1.913 -10.467 -2.552 1.00 21.43 N ATOM 54 CA LEU A 5 -0.644 -10.075 -1.947 1.00 31.21 C ATOM 55 C LEU A 5 -0.848 -8.956 -0.931 1.00 31.02 C ATOM 56 O LEU A 5 -0.175 -8.907 0.099 1.00 71.33 O ATOM 57 CB LEU A 5 0.343 -9.627 -3.027 1.00 41.13 C ATOM 58 CG LEU A 5 0.278 -10.387 -4.352 1.00 13.31 C ATOM 59 CD1 LEU A 5 1.401 -9.944 -5.276 1.00 12.03 C ATOM 60 CD2 LEU A 5 0.345 -11.888 -4.110 1.00 12.42 C ATOM 0 H LEU A 5 -1.984 -10.266 -3.549 1.00 21.43 H new ATOM 0 HA LEU A 5 -0.234 -10.941 -1.428 1.00 31.21 H new ATOM 0 HB2 LEU A 5 0.174 -8.569 -3.229 1.00 41.13 H new ATOM 0 HB3 LEU A 5 1.353 -9.718 -2.628 1.00 41.13 H new ATOM 0 HG LEU A 5 -0.673 -10.159 -4.834 1.00 13.31 H new ATOM 0 HD11 LEU A 5 1.339 -10.495 -6.214 1.00 12.03 H new ATOM 0 HD12 LEU A 5 1.308 -8.876 -5.476 1.00 12.03 H new ATOM 0 HD13 LEU A 5 2.362 -10.142 -4.802 1.00 12.03 H new ATOM 0 HD21 LEU A 5 0.297 -12.413 -5.064 1.00 12.42 H new ATOM 0 HD22 LEU A 5 1.280 -12.134 -3.607 1.00 12.42 H new ATOM 0 HD23 LEU A 5 -0.494 -12.194 -3.486 1.00 12.42 H new ATOM 72 N PHE A 6 -1.782 -8.058 -1.228 1.00 62.21 N ATOM 73 CA PHE A 6 -2.076 -6.939 -0.340 1.00 20.22 C ATOM 74 C PHE A 6 -2.671 -7.430 0.976 1.00 34.25 C ATOM 75 O PHE A 6 -2.246 -7.015 2.056 1.00 74.31 O ATOM 76 CB PHE A 6 -3.042 -5.964 -1.017 1.00 3.43 C ATOM 77 CG PHE A 6 -3.802 -5.104 -0.048 1.00 24.11 C ATOM 78 CD1 PHE A 6 -4.948 -5.579 0.569 1.00 70.23 C ATOM 79 CD2 PHE A 6 -3.370 -3.820 0.247 1.00 71.51 C ATOM 80 CE1 PHE A 6 -5.649 -4.789 1.460 1.00 64.33 C ATOM 81 CE2 PHE A 6 -4.067 -3.026 1.137 1.00 40.24 C ATOM 82 CZ PHE A 6 -5.208 -3.512 1.745 1.00 53.25 C ATOM 0 H PHE A 6 -2.348 -8.083 -2.076 1.00 62.21 H new ATOM 0 HA PHE A 6 -1.140 -6.423 -0.125 1.00 20.22 H new ATOM 0 HB2 PHE A 6 -2.481 -5.323 -1.697 1.00 3.43 H new ATOM 0 HB3 PHE A 6 -3.751 -6.529 -1.623 1.00 3.43 H new ATOM 0 HD1 PHE A 6 -5.297 -6.578 0.351 1.00 70.23 H new ATOM 0 HD2 PHE A 6 -2.478 -3.436 -0.225 1.00 71.51 H new ATOM 0 HE1 PHE A 6 -6.542 -5.170 1.933 1.00 64.33 H new ATOM 0 HE2 PHE A 6 -3.720 -2.027 1.357 1.00 40.24 H new ATOM 0 HZ PHE A 6 -5.754 -2.894 2.442 1.00 53.25 H new ATOM 92 N LYS A 7 -3.655 -8.317 0.879 1.00 4.33 N ATOM 93 CA LYS A 7 -4.309 -8.867 2.060 1.00 43.22 C ATOM 94 C LYS A 7 -3.418 -9.899 2.745 1.00 3.35 C ATOM 95 O LYS A 7 -3.519 -10.116 3.951 1.00 44.33 O ATOM 96 CB LYS A 7 -5.645 -9.505 1.678 1.00 61.44 C ATOM 97 CG LYS A 7 -5.821 -10.916 2.212 1.00 2.52 C ATOM 98 CD LYS A 7 -7.149 -11.515 1.781 1.00 41.23 C ATOM 99 CE LYS A 7 -8.272 -11.121 2.729 1.00 54.34 C ATOM 100 NZ LYS A 7 -9.559 -10.914 2.009 1.00 32.31 N ATOM 0 H LYS A 7 -4.017 -8.671 -0.006 1.00 4.33 H new ATOM 0 HA LYS A 7 -4.490 -8.049 2.758 1.00 43.22 H new ATOM 0 HB2 LYS A 7 -6.456 -8.880 2.052 1.00 61.44 H new ATOM 0 HB3 LYS A 7 -5.732 -9.523 0.592 1.00 61.44 H new ATOM 0 HG2 LYS A 7 -5.005 -11.545 1.856 1.00 2.52 H new ATOM 0 HG3 LYS A 7 -5.763 -10.904 3.300 1.00 2.52 H new ATOM 0 HD2 LYS A 7 -7.389 -11.181 0.772 1.00 41.23 H new ATOM 0 HD3 LYS A 7 -7.065 -12.601 1.746 1.00 41.23 H new ATOM 0 HE2 LYS A 7 -8.399 -11.897 3.484 1.00 54.34 H new ATOM 0 HE3 LYS A 7 -7.999 -10.206 3.255 1.00 54.34 H new ATOM 0 HZ1 LYS A 7 -10.299 -10.647 2.690 1.00 32.31 H new ATOM 0 HZ2 LYS A 7 -9.445 -10.156 1.306 1.00 32.31 H new ATOM 0 HZ3 LYS A 7 -9.833 -11.794 1.528 1.00 32.31 H new ATOM 114 N GLU A 8 -2.545 -10.529 1.966 1.00 3.12 N ATOM 115 CA GLU A 8 -1.636 -11.537 2.499 1.00 31.23 C ATOM 116 C GLU A 8 -0.604 -10.903 3.427 1.00 51.21 C ATOM 117 O GLU A 8 -0.373 -11.384 4.536 1.00 55.42 O ATOM 118 CB GLU A 8 -0.929 -12.272 1.359 1.00 22.34 C ATOM 119 CG GLU A 8 0.069 -13.316 1.833 1.00 2.25 C ATOM 120 CD GLU A 8 -0.378 -14.732 1.527 1.00 52.12 C ATOM 121 OE1 GLU A 8 -1.601 -14.987 1.552 1.00 34.24 O ATOM 122 OE2 GLU A 8 0.495 -15.585 1.262 1.00 60.33 O ATOM 0 H GLU A 8 -2.448 -10.360 0.965 1.00 3.12 H new ATOM 0 HA GLU A 8 -2.225 -12.252 3.073 1.00 31.23 H new ATOM 0 HB2 GLU A 8 -1.677 -12.756 0.731 1.00 22.34 H new ATOM 0 HB3 GLU A 8 -0.411 -11.544 0.735 1.00 22.34 H new ATOM 0 HG2 GLU A 8 1.033 -13.133 1.359 1.00 2.25 H new ATOM 0 HG3 GLU A 8 0.217 -13.210 2.908 1.00 2.25 H new ATOM 129 N ILE A 9 0.013 -9.822 2.965 1.00 25.14 N ATOM 130 CA ILE A 9 1.020 -9.121 3.753 1.00 32.11 C ATOM 131 C ILE A 9 0.391 -8.432 4.960 1.00 23.14 C ATOM 132 O ILE A 9 1.063 -8.169 5.957 1.00 13.54 O ATOM 133 CB ILE A 9 1.767 -8.072 2.908 1.00 13.33 C ATOM 134 CG1 ILE A 9 2.481 -8.746 1.734 1.00 2.51 C ATOM 135 CG2 ILE A 9 2.760 -7.307 3.771 1.00 31.03 C ATOM 136 CD1 ILE A 9 3.623 -9.642 2.156 1.00 54.23 C ATOM 0 H ILE A 9 -0.166 -9.412 2.049 1.00 25.14 H new ATOM 0 HA ILE A 9 1.732 -9.872 4.096 1.00 32.11 H new ATOM 0 HB ILE A 9 1.041 -7.364 2.509 1.00 13.33 H new ATOM 0 HG12 ILE A 9 1.758 -9.334 1.169 1.00 2.51 H new ATOM 0 HG13 ILE A 9 2.862 -7.978 1.061 1.00 2.51 H new ATOM 0 HG21 ILE A 9 3.280 -6.569 3.160 1.00 31.03 H new ATOM 0 HG22 ILE A 9 2.228 -6.801 4.576 1.00 31.03 H new ATOM 0 HG23 ILE A 9 3.484 -8.002 4.196 1.00 31.03 H new ATOM 0 HD11 ILE A 9 4.083 -10.086 1.273 1.00 54.23 H new ATOM 0 HD12 ILE A 9 4.366 -9.055 2.695 1.00 54.23 H new ATOM 0 HD13 ILE A 9 3.245 -10.432 2.804 1.00 54.23 H new ATOM 148 N ASP A 10 -0.901 -8.143 4.862 1.00 63.43 N ATOM 149 CA ASP A 10 -1.622 -7.487 5.947 1.00 22.22 C ATOM 150 C ASP A 10 -1.912 -8.468 7.078 1.00 63.40 C ATOM 151 O ASP A 10 -3.033 -8.959 7.215 1.00 12.10 O ATOM 152 CB ASP A 10 -2.930 -6.886 5.428 1.00 20.22 C ATOM 153 CG ASP A 10 -2.828 -5.391 5.197 1.00 62.31 C ATOM 154 OD1 ASP A 10 -2.115 -4.717 5.970 1.00 12.12 O ATOM 155 OD2 ASP A 10 -3.461 -4.894 4.242 1.00 72.55 O ATOM 0 H ASP A 10 -1.471 -8.352 4.043 1.00 63.43 H new ATOM 0 HA ASP A 10 -0.993 -6.687 6.337 1.00 22.22 H new ATOM 0 HB2 ASP A 10 -3.207 -7.377 4.495 1.00 20.22 H new ATOM 0 HB3 ASP A 10 -3.728 -7.087 6.143 1.00 20.22 H new ATOM 160 N VAL A 11 -0.895 -8.749 7.886 1.00 63.25 N ATOM 161 CA VAL A 11 -1.041 -9.672 9.006 1.00 21.03 C ATOM 162 C VAL A 11 -2.067 -9.159 10.010 1.00 71.33 C ATOM 163 O VAL A 11 -2.557 -9.911 10.852 1.00 33.44 O ATOM 164 CB VAL A 11 0.301 -9.893 9.728 1.00 73.41 C ATOM 165 CG1 VAL A 11 0.179 -11.012 10.751 1.00 71.52 C ATOM 166 CG2 VAL A 11 1.403 -10.196 8.724 1.00 52.01 C ATOM 0 H VAL A 11 0.039 -8.351 7.786 1.00 63.25 H new ATOM 0 HA VAL A 11 -1.384 -10.621 8.593 1.00 21.03 H new ATOM 0 HB VAL A 11 0.564 -8.977 10.256 1.00 73.41 H new ATOM 0 HG11 VAL A 11 1.137 -11.154 11.251 1.00 71.52 H new ATOM 0 HG12 VAL A 11 -0.580 -10.750 11.488 1.00 71.52 H new ATOM 0 HG13 VAL A 11 -0.108 -11.935 10.248 1.00 71.52 H new ATOM 0 HG21 VAL A 11 2.344 -10.349 9.252 1.00 52.01 H new ATOM 0 HG22 VAL A 11 1.149 -11.097 8.166 1.00 52.01 H new ATOM 0 HG23 VAL A 11 1.506 -9.359 8.034 1.00 52.01 H new ATOM 176 N ASN A 12 -2.390 -7.874 9.914 1.00 62.41 N ATOM 177 CA ASN A 12 -3.359 -7.260 10.814 1.00 4.53 C ATOM 178 C ASN A 12 -4.785 -7.524 10.341 1.00 1.32 C ATOM 179 O ASN A 12 -5.751 -7.130 10.994 1.00 2.23 O ATOM 180 CB ASN A 12 -3.114 -5.753 10.912 1.00 33.42 C ATOM 181 CG ASN A 12 -2.856 -5.120 9.557 1.00 52.44 C ATOM 182 OD1 ASN A 12 -3.340 -5.602 8.533 1.00 73.10 O ATOM 183 ND2 ASN A 12 -2.090 -4.036 9.546 1.00 44.44 N ATOM 0 H ASN A 12 -1.995 -7.237 9.222 1.00 62.41 H new ATOM 0 HA ASN A 12 -3.233 -7.707 11.800 1.00 4.53 H new ATOM 0 HB2 ASN A 12 -3.978 -5.276 11.374 1.00 33.42 H new ATOM 0 HB3 ASN A 12 -2.261 -5.568 11.565 1.00 33.42 H new ATOM 0 HD21 ASN A 12 -1.881 -3.568 8.664 1.00 44.44 H new ATOM 0 HD22 ASN A 12 -1.710 -3.671 10.419 1.00 44.44 H new ATOM 190 N GLY A 13 -4.909 -8.196 9.200 1.00 4.31 N ATOM 191 CA GLY A 13 -6.221 -8.503 8.658 1.00 4.54 C ATOM 192 C GLY A 13 -7.158 -7.312 8.701 1.00 15.02 C ATOM 193 O GLY A 13 -8.347 -7.460 8.987 1.00 10.41 O ATOM 0 H GLY A 13 -4.125 -8.533 8.641 1.00 4.31 H new ATOM 0 HA2 GLY A 13 -6.115 -8.841 7.627 1.00 4.54 H new ATOM 0 HA3 GLY A 13 -6.660 -9.327 9.221 1.00 4.54 H new ATOM 197 N ASP A 14 -6.623 -6.129 8.419 1.00 31.41 N ATOM 198 CA ASP A 14 -7.420 -4.908 8.426 1.00 74.14 C ATOM 199 C ASP A 14 -7.948 -4.595 7.030 1.00 72.40 C ATOM 200 O ASP A 14 -8.885 -3.813 6.870 1.00 51.33 O ATOM 201 CB ASP A 14 -6.589 -3.734 8.946 1.00 52.35 C ATOM 202 CG ASP A 14 -5.266 -3.596 8.219 1.00 3.32 C ATOM 203 OD1 ASP A 14 -5.090 -4.255 7.174 1.00 64.34 O ATOM 204 OD2 ASP A 14 -4.406 -2.826 8.696 1.00 24.52 O ATOM 0 H ASP A 14 -5.641 -5.990 8.183 1.00 31.41 H new ATOM 0 HA ASP A 14 -8.271 -5.063 9.090 1.00 74.14 H new ATOM 0 HB2 ASP A 14 -7.159 -2.812 8.836 1.00 52.35 H new ATOM 0 HB3 ASP A 14 -6.403 -3.868 10.012 1.00 52.35 H new ATOM 209 N GLY A 15 -7.339 -5.209 6.021 1.00 72.21 N ATOM 210 CA GLY A 15 -7.760 -4.983 4.651 1.00 22.35 C ATOM 211 C GLY A 15 -7.450 -3.577 4.175 1.00 24.02 C ATOM 212 O GLY A 15 -7.893 -3.166 3.102 1.00 34.42 O ATOM 0 H GLY A 15 -6.561 -5.860 6.128 1.00 72.21 H new ATOM 0 HA2 GLY A 15 -7.265 -5.702 3.998 1.00 22.35 H new ATOM 0 HA3 GLY A 15 -8.832 -5.163 4.569 1.00 22.35 H new ATOM 216 N ALA A 16 -6.690 -2.837 4.975 1.00 2.01 N ATOM 217 CA ALA A 16 -6.322 -1.470 4.629 1.00 10.03 C ATOM 218 C ALA A 16 -4.843 -1.214 4.901 1.00 24.43 C ATOM 219 O ALA A 16 -4.308 -1.632 5.928 1.00 41.04 O ATOM 220 CB ALA A 16 -7.181 -0.479 5.402 1.00 73.32 C ATOM 0 H ALA A 16 -6.317 -3.161 5.867 1.00 2.01 H new ATOM 0 HA ALA A 16 -6.498 -1.332 3.562 1.00 10.03 H new ATOM 0 HB1 ALA A 16 -6.895 0.538 5.133 1.00 73.32 H new ATOM 0 HB2 ALA A 16 -8.231 -0.638 5.155 1.00 73.32 H new ATOM 0 HB3 ALA A 16 -7.033 -0.627 6.472 1.00 73.32 H new ATOM 226 N VAL A 17 -4.186 -0.525 3.973 1.00 61.32 N ATOM 227 CA VAL A 17 -2.769 -0.212 4.113 1.00 54.34 C ATOM 228 C VAL A 17 -2.521 1.286 3.986 1.00 13.24 C ATOM 229 O VAL A 17 -2.717 1.870 2.921 1.00 35.55 O ATOM 230 CB VAL A 17 -1.924 -0.952 3.058 1.00 55.44 C ATOM 231 CG1 VAL A 17 -0.507 -0.401 3.025 1.00 2.11 C ATOM 232 CG2 VAL A 17 -1.916 -2.448 3.337 1.00 33.44 C ATOM 0 H VAL A 17 -4.613 -0.173 3.116 1.00 61.32 H new ATOM 0 HA VAL A 17 -2.469 -0.544 5.107 1.00 54.34 H new ATOM 0 HB VAL A 17 -2.374 -0.789 2.079 1.00 55.44 H new ATOM 0 HG11 VAL A 17 0.074 -0.936 2.274 1.00 2.11 H new ATOM 0 HG12 VAL A 17 -0.535 0.659 2.774 1.00 2.11 H new ATOM 0 HG13 VAL A 17 -0.043 -0.531 4.003 1.00 2.11 H new ATOM 0 HG21 VAL A 17 -1.315 -2.956 2.583 1.00 33.44 H new ATOM 0 HG22 VAL A 17 -1.491 -2.632 4.324 1.00 33.44 H new ATOM 0 HG23 VAL A 17 -2.937 -2.830 3.305 1.00 33.44 H new ATOM 242 N SER A 18 -2.087 1.903 5.081 1.00 23.03 N ATOM 243 CA SER A 18 -1.815 3.335 5.093 1.00 5.41 C ATOM 244 C SER A 18 -0.400 3.624 4.599 1.00 23.50 C ATOM 245 O SER A 18 0.371 2.707 4.320 1.00 73.33 O ATOM 246 CB SER A 18 -1.999 3.899 6.504 1.00 32.32 C ATOM 247 OG SER A 18 -2.123 2.857 7.457 1.00 64.40 O ATOM 0 H SER A 18 -1.917 1.434 5.970 1.00 23.03 H new ATOM 0 HA SER A 18 -2.523 3.819 4.420 1.00 5.41 H new ATOM 0 HB2 SER A 18 -1.149 4.531 6.760 1.00 32.32 H new ATOM 0 HB3 SER A 18 -2.887 4.531 6.534 1.00 32.32 H new ATOM 0 HG SER A 18 -2.238 3.243 8.351 1.00 64.40 H new ATOM 253 N TYR A 19 -0.068 4.906 4.493 1.00 72.13 N ATOM 254 CA TYR A 19 1.252 5.318 4.029 1.00 74.02 C ATOM 255 C TYR A 19 2.349 4.556 4.767 1.00 33.33 C ATOM 256 O TYR A 19 3.284 4.043 4.152 1.00 3.11 O ATOM 257 CB TYR A 19 1.438 6.822 4.226 1.00 3.32 C ATOM 258 CG TYR A 19 1.263 7.272 5.660 1.00 22.41 C ATOM 259 CD1 TYR A 19 -0.003 7.495 6.188 1.00 4.12 C ATOM 260 CD2 TYR A 19 2.361 7.473 6.485 1.00 2.44 C ATOM 261 CE1 TYR A 19 -0.169 7.906 7.496 1.00 41.20 C ATOM 262 CE2 TYR A 19 2.205 7.884 7.795 1.00 32.35 C ATOM 263 CZ TYR A 19 0.938 8.098 8.296 1.00 21.05 C ATOM 264 OH TYR A 19 0.779 8.508 9.600 1.00 62.52 O ATOM 0 H TYR A 19 -0.694 5.678 4.722 1.00 72.13 H new ATOM 0 HA TYR A 19 1.326 5.087 2.966 1.00 74.02 H new ATOM 0 HB2 TYR A 19 2.434 7.104 3.885 1.00 3.32 H new ATOM 0 HB3 TYR A 19 0.723 7.353 3.598 1.00 3.32 H new ATOM 0 HD1 TYR A 19 -0.872 7.344 5.565 1.00 4.12 H new ATOM 0 HD2 TYR A 19 3.355 7.305 6.096 1.00 2.44 H new ATOM 0 HE1 TYR A 19 -1.160 8.076 7.890 1.00 41.20 H new ATOM 0 HE2 TYR A 19 3.070 8.037 8.423 1.00 32.35 H new ATOM 0 HH TYR A 19 1.658 8.595 10.025 1.00 62.52 H new ATOM 274 N GLU A 20 2.228 4.487 6.089 1.00 64.10 N ATOM 275 CA GLU A 20 3.209 3.789 6.911 1.00 22.13 C ATOM 276 C GLU A 20 3.276 2.311 6.540 1.00 22.24 C ATOM 277 O GLU A 20 4.359 1.753 6.369 1.00 53.51 O ATOM 278 CB GLU A 20 2.864 3.939 8.394 1.00 1.13 C ATOM 279 CG GLU A 20 3.725 4.961 9.119 1.00 23.53 C ATOM 280 CD GLU A 20 4.778 4.317 9.999 1.00 30.11 C ATOM 281 OE1 GLU A 20 5.884 4.036 9.490 1.00 21.15 O ATOM 282 OE2 GLU A 20 4.497 4.094 11.195 1.00 33.44 O ATOM 0 H GLU A 20 1.460 4.906 6.613 1.00 64.10 H new ATOM 0 HA GLU A 20 4.185 4.237 6.726 1.00 22.13 H new ATOM 0 HB2 GLU A 20 1.817 4.227 8.487 1.00 1.13 H new ATOM 0 HB3 GLU A 20 2.974 2.971 8.884 1.00 1.13 H new ATOM 0 HG2 GLU A 20 4.213 5.604 8.387 1.00 23.53 H new ATOM 0 HG3 GLU A 20 3.087 5.600 9.730 1.00 23.53 H new ATOM 289 N GLU A 21 2.110 1.684 6.417 1.00 12.43 N ATOM 290 CA GLU A 21 2.037 0.270 6.069 1.00 24.54 C ATOM 291 C GLU A 21 2.725 0.003 4.733 1.00 14.34 C ATOM 292 O GLU A 21 3.411 -1.006 4.566 1.00 75.44 O ATOM 293 CB GLU A 21 0.579 -0.187 6.003 1.00 62.52 C ATOM 294 CG GLU A 21 0.020 -0.635 7.344 1.00 22.35 C ATOM 295 CD GLU A 21 -0.777 -1.921 7.243 1.00 3.41 C ATOM 296 OE1 GLU A 21 -0.259 -2.894 6.655 1.00 41.04 O ATOM 297 OE2 GLU A 21 -1.916 -1.954 7.751 1.00 50.43 O ATOM 0 H GLU A 21 1.204 2.133 6.553 1.00 12.43 H new ATOM 0 HA GLU A 21 2.553 -0.296 6.845 1.00 24.54 H new ATOM 0 HB2 GLU A 21 -0.032 0.630 5.619 1.00 62.52 H new ATOM 0 HB3 GLU A 21 0.496 -1.009 5.292 1.00 62.52 H new ATOM 0 HG2 GLU A 21 0.841 -0.775 8.047 1.00 22.35 H new ATOM 0 HG3 GLU A 21 -0.616 0.152 7.749 1.00 22.35 H new ATOM 304 N VAL A 22 2.538 0.915 3.784 1.00 22.12 N ATOM 305 CA VAL A 22 3.140 0.780 2.463 1.00 14.12 C ATOM 306 C VAL A 22 4.662 0.748 2.554 1.00 60.13 C ATOM 307 O VAL A 22 5.307 -0.171 2.048 1.00 24.43 O ATOM 308 CB VAL A 22 2.716 1.931 1.532 1.00 34.42 C ATOM 309 CG1 VAL A 22 3.554 1.927 0.262 1.00 11.41 C ATOM 310 CG2 VAL A 22 1.234 1.830 1.203 1.00 55.01 C ATOM 0 H VAL A 22 1.974 1.756 3.906 1.00 22.12 H new ATOM 0 HA VAL A 22 2.784 -0.163 2.047 1.00 14.12 H new ATOM 0 HB VAL A 22 2.887 2.876 2.048 1.00 34.42 H new ATOM 0 HG11 VAL A 22 3.240 2.747 -0.384 1.00 11.41 H new ATOM 0 HG12 VAL A 22 4.606 2.050 0.520 1.00 11.41 H new ATOM 0 HG13 VAL A 22 3.417 0.981 -0.261 1.00 11.41 H new ATOM 0 HG21 VAL A 22 0.951 2.651 0.544 1.00 55.01 H new ATOM 0 HG22 VAL A 22 1.036 0.881 0.706 1.00 55.01 H new ATOM 0 HG23 VAL A 22 0.652 1.886 2.123 1.00 55.01 H new ATOM 320 N LYS A 23 5.232 1.759 3.203 1.00 72.04 N ATOM 321 CA LYS A 23 6.678 1.847 3.363 1.00 61.34 C ATOM 322 C LYS A 23 7.218 0.635 4.115 1.00 41.32 C ATOM 323 O LYS A 23 8.318 0.159 3.836 1.00 25.23 O ATOM 324 CB LYS A 23 7.051 3.131 4.109 1.00 13.11 C ATOM 325 CG LYS A 23 7.632 4.209 3.210 1.00 50.24 C ATOM 326 CD LYS A 23 8.990 3.806 2.662 1.00 73.30 C ATOM 327 CE LYS A 23 10.011 3.630 3.776 1.00 31.33 C ATOM 328 NZ LYS A 23 10.117 4.846 4.628 1.00 23.25 N ATOM 0 H LYS A 23 4.714 2.529 3.626 1.00 72.04 H new ATOM 0 HA LYS A 23 7.128 1.866 2.370 1.00 61.34 H new ATOM 0 HB2 LYS A 23 6.164 3.523 4.606 1.00 13.11 H new ATOM 0 HB3 LYS A 23 7.774 2.891 4.889 1.00 13.11 H new ATOM 0 HG2 LYS A 23 6.948 4.402 2.384 1.00 50.24 H new ATOM 0 HG3 LYS A 23 7.726 5.139 3.770 1.00 50.24 H new ATOM 0 HD2 LYS A 23 8.896 2.875 2.103 1.00 73.30 H new ATOM 0 HD3 LYS A 23 9.341 4.564 1.962 1.00 73.30 H new ATOM 0 HE2 LYS A 23 9.731 2.777 4.394 1.00 31.33 H new ATOM 0 HE3 LYS A 23 10.985 3.404 3.343 1.00 31.33 H new ATOM 0 HZ1 LYS A 23 10.981 4.792 5.204 1.00 23.25 H new ATOM 0 HZ2 LYS A 23 10.156 5.691 4.023 1.00 23.25 H new ATOM 0 HZ3 LYS A 23 9.288 4.906 5.253 1.00 23.25 H new ATOM 342 N ALA A 24 6.437 0.139 5.068 1.00 65.03 N ATOM 343 CA ALA A 24 6.835 -1.020 5.857 1.00 70.00 C ATOM 344 C ALA A 24 6.810 -2.292 5.016 1.00 60.13 C ATOM 345 O ALA A 24 7.726 -3.111 5.083 1.00 11.11 O ATOM 346 CB ALA A 24 5.929 -1.170 7.070 1.00 44.31 C ATOM 0 H ALA A 24 5.524 0.522 5.313 1.00 65.03 H new ATOM 0 HA ALA A 24 7.858 -0.861 6.199 1.00 70.00 H new ATOM 0 HB1 ALA A 24 6.238 -2.040 7.650 1.00 44.31 H new ATOM 0 HB2 ALA A 24 6.000 -0.276 7.690 1.00 44.31 H new ATOM 0 HB3 ALA A 24 4.898 -1.301 6.740 1.00 44.31 H new ATOM 352 N PHE A 25 5.754 -2.452 4.224 1.00 24.15 N ATOM 353 CA PHE A 25 5.609 -3.624 3.371 1.00 73.42 C ATOM 354 C PHE A 25 6.862 -3.844 2.530 1.00 31.45 C ATOM 355 O PHE A 25 7.420 -4.942 2.501 1.00 2.45 O ATOM 356 CB PHE A 25 4.390 -3.470 2.458 1.00 10.23 C ATOM 357 CG PHE A 25 3.103 -3.912 3.096 1.00 11.45 C ATOM 358 CD1 PHE A 25 2.932 -3.830 4.468 1.00 13.20 C ATOM 359 CD2 PHE A 25 2.066 -4.408 2.323 1.00 4.44 C ATOM 360 CE1 PHE A 25 1.750 -4.237 5.058 1.00 61.53 C ATOM 361 CE2 PHE A 25 0.881 -4.816 2.907 1.00 0.55 C ATOM 362 CZ PHE A 25 0.723 -4.729 4.276 1.00 13.32 C ATOM 0 H PHE A 25 4.986 -1.784 4.156 1.00 24.15 H new ATOM 0 HA PHE A 25 5.466 -4.493 4.013 1.00 73.42 H new ATOM 0 HB2 PHE A 25 4.299 -2.425 2.160 1.00 10.23 H new ATOM 0 HB3 PHE A 25 4.552 -4.048 1.548 1.00 10.23 H new ATOM 0 HD1 PHE A 25 3.731 -3.444 5.084 1.00 13.20 H new ATOM 0 HD2 PHE A 25 2.184 -4.477 1.252 1.00 4.44 H new ATOM 0 HE1 PHE A 25 1.630 -4.170 6.129 1.00 61.53 H new ATOM 0 HE2 PHE A 25 0.080 -5.202 2.294 1.00 0.55 H new ATOM 0 HZ PHE A 25 -0.202 -5.045 4.735 1.00 13.32 H new ATOM 372 N VAL A 26 7.301 -2.792 1.846 1.00 35.20 N ATOM 373 CA VAL A 26 8.489 -2.869 1.004 1.00 54.31 C ATOM 374 C VAL A 26 9.752 -3.002 1.848 1.00 24.54 C ATOM 375 O VAL A 26 10.736 -3.604 1.420 1.00 34.43 O ATOM 376 CB VAL A 26 8.617 -1.629 0.099 1.00 20.23 C ATOM 377 CG1 VAL A 26 9.449 -0.554 0.781 1.00 65.34 C ATOM 378 CG2 VAL A 26 9.221 -2.010 -1.244 1.00 11.11 C ATOM 0 H VAL A 26 6.852 -1.876 1.859 1.00 35.20 H new ATOM 0 HA VAL A 26 8.378 -3.755 0.379 1.00 54.31 H new ATOM 0 HB VAL A 26 7.620 -1.225 -0.078 1.00 20.23 H new ATOM 0 HG11 VAL A 26 9.529 0.314 0.127 1.00 65.34 H new ATOM 0 HG12 VAL A 26 8.970 -0.262 1.716 1.00 65.34 H new ATOM 0 HG13 VAL A 26 10.445 -0.943 0.990 1.00 65.34 H new ATOM 0 HG21 VAL A 26 9.304 -1.122 -1.871 1.00 11.11 H new ATOM 0 HG22 VAL A 26 10.211 -2.439 -1.089 1.00 11.11 H new ATOM 0 HG23 VAL A 26 8.581 -2.743 -1.736 1.00 11.11 H new ATOM 388 N SER A 27 9.717 -2.435 3.048 1.00 51.43 N ATOM 389 CA SER A 27 10.861 -2.487 3.952 1.00 61.04 C ATOM 390 C SER A 27 11.178 -3.926 4.345 1.00 44.15 C ATOM 391 O SER A 27 12.305 -4.245 4.725 1.00 51.54 O ATOM 392 CB SER A 27 10.586 -1.653 5.205 1.00 41.24 C ATOM 393 OG SER A 27 11.289 -0.424 5.164 1.00 1.43 O ATOM 0 H SER A 27 8.909 -1.934 3.418 1.00 51.43 H new ATOM 0 HA SER A 27 11.724 -2.073 3.430 1.00 61.04 H new ATOM 0 HB2 SER A 27 9.516 -1.461 5.290 1.00 41.24 H new ATOM 0 HB3 SER A 27 10.881 -2.215 6.091 1.00 41.24 H new ATOM 0 HG SER A 27 11.095 0.091 5.975 1.00 1.43 H new ATOM 399 N LYS A 28 10.175 -4.793 4.250 1.00 51.41 N ATOM 400 CA LYS A 28 10.344 -6.200 4.594 1.00 34.24 C ATOM 401 C LYS A 28 11.153 -6.928 3.525 1.00 21.40 C ATOM 402 O LYS A 28 11.516 -8.092 3.691 1.00 53.52 O ATOM 403 CB LYS A 28 8.980 -6.873 4.763 1.00 12.02 C ATOM 404 CG LYS A 28 8.281 -6.511 6.062 1.00 72.32 C ATOM 405 CD LYS A 28 9.038 -7.041 7.269 1.00 3.11 C ATOM 406 CE LYS A 28 9.141 -8.558 7.242 1.00 64.35 C ATOM 407 NZ LYS A 28 10.488 -9.015 6.804 1.00 31.25 N ATOM 0 H LYS A 28 9.236 -4.546 3.937 1.00 51.41 H new ATOM 0 HA LYS A 28 10.888 -6.255 5.537 1.00 34.24 H new ATOM 0 HB2 LYS A 28 8.340 -6.594 3.926 1.00 12.02 H new ATOM 0 HB3 LYS A 28 9.110 -7.954 4.719 1.00 12.02 H new ATOM 0 HG2 LYS A 28 8.188 -5.428 6.137 1.00 72.32 H new ATOM 0 HG3 LYS A 28 7.270 -6.918 6.058 1.00 72.32 H new ATOM 0 HD2 LYS A 28 10.038 -6.608 7.291 1.00 3.11 H new ATOM 0 HD3 LYS A 28 8.534 -6.726 8.183 1.00 3.11 H new ATOM 0 HE2 LYS A 28 8.928 -8.954 8.235 1.00 64.35 H new ATOM 0 HE3 LYS A 28 8.384 -8.961 6.569 1.00 64.35 H new ATOM 0 HZ1 LYS A 28 10.452 -10.028 6.571 1.00 31.25 H new ATOM 0 HZ2 LYS A 28 10.781 -8.476 5.964 1.00 31.25 H new ATOM 0 HZ3 LYS A 28 11.173 -8.861 7.571 1.00 31.25 H new ATOM 421 N LYS A 29 11.432 -6.234 2.427 1.00 33.12 N ATOM 422 CA LYS A 29 12.201 -6.812 1.330 1.00 52.21 C ATOM 423 C LYS A 29 13.589 -6.187 1.249 1.00 1.22 C ATOM 424 O LYS A 29 14.515 -6.777 0.693 1.00 11.14 O ATOM 425 CB LYS A 29 11.463 -6.615 0.004 1.00 14.31 C ATOM 426 CG LYS A 29 9.967 -6.859 0.098 1.00 11.11 C ATOM 427 CD LYS A 29 9.661 -8.227 0.684 1.00 3.40 C ATOM 428 CE LYS A 29 10.231 -9.343 -0.177 1.00 71.22 C ATOM 429 NZ LYS A 29 9.205 -10.372 -0.503 1.00 65.14 N ATOM 0 H LYS A 29 11.137 -5.270 2.273 1.00 33.12 H new ATOM 0 HA LYS A 29 12.314 -7.879 1.522 1.00 52.21 H new ATOM 0 HB2 LYS A 29 11.635 -5.599 -0.350 1.00 14.31 H new ATOM 0 HB3 LYS A 29 11.886 -7.288 -0.741 1.00 14.31 H new ATOM 0 HG2 LYS A 29 9.510 -6.087 0.716 1.00 11.11 H new ATOM 0 HG3 LYS A 29 9.521 -6.779 -0.893 1.00 11.11 H new ATOM 0 HD2 LYS A 29 10.076 -8.294 1.690 1.00 3.40 H new ATOM 0 HD3 LYS A 29 8.582 -8.352 0.775 1.00 3.40 H new ATOM 0 HE2 LYS A 29 10.629 -8.922 -1.100 1.00 71.22 H new ATOM 0 HE3 LYS A 29 11.065 -9.814 0.344 1.00 71.22 H new ATOM 0 HZ1 LYS A 29 9.633 -11.115 -1.091 1.00 65.14 H new ATOM 0 HZ2 LYS A 29 8.843 -10.792 0.377 1.00 65.14 H new ATOM 0 HZ3 LYS A 29 8.421 -9.928 -1.023 1.00 65.14 H new ATOM 443 N ARG A 30 13.727 -4.989 1.809 1.00 50.30 N ATOM 444 CA ARG A 30 15.004 -4.284 1.801 1.00 21.32 C ATOM 445 C ARG A 30 14.917 -2.994 2.611 1.00 15.22 C ATOM 446 O ARG A 30 13.907 -2.721 3.257 1.00 61.04 O ATOM 447 CB ARG A 30 15.426 -3.969 0.364 1.00 10.54 C ATOM 448 CG ARG A 30 14.363 -3.235 -0.437 1.00 42.44 C ATOM 449 CD ARG A 30 14.179 -3.852 -1.814 1.00 25.53 C ATOM 450 NE ARG A 30 15.455 -4.090 -2.483 1.00 24.13 N ATOM 451 CZ ARG A 30 15.609 -4.945 -3.488 1.00 4.45 C ATOM 452 NH1 ARG A 30 14.572 -5.637 -3.939 1.00 55.51 N ATOM 453 NH2 ARG A 30 16.802 -5.107 -4.045 1.00 3.25 N ATOM 0 H ARG A 30 12.971 -4.487 2.274 1.00 50.30 H new ATOM 0 HA ARG A 30 15.752 -4.931 2.259 1.00 21.32 H new ATOM 0 HB2 ARG A 30 16.334 -3.366 0.385 1.00 10.54 H new ATOM 0 HB3 ARG A 30 15.674 -4.900 -0.145 1.00 10.54 H new ATOM 0 HG2 ARG A 30 13.417 -3.260 0.103 1.00 42.44 H new ATOM 0 HG3 ARG A 30 14.643 -2.187 -0.541 1.00 42.44 H new ATOM 0 HD2 ARG A 30 13.638 -4.794 -1.720 1.00 25.53 H new ATOM 0 HD3 ARG A 30 13.566 -3.192 -2.428 1.00 25.53 H new ATOM 0 HE ARG A 30 16.272 -3.572 -2.161 1.00 24.13 H new ATOM 0 HH11 ARG A 30 13.653 -5.514 -3.514 1.00 55.51 H new ATOM 0 HH12 ARG A 30 14.693 -6.293 -4.711 1.00 55.51 H new ATOM 0 HH21 ARG A 30 17.602 -4.575 -3.702 1.00 3.25 H new ATOM 0 HH22 ARG A 30 16.920 -5.764 -4.817 1.00 3.25 H new ATOM 467 N ALA A 31 15.987 -2.205 2.573 1.00 52.24 N ATOM 468 CA ALA A 31 16.032 -0.944 3.303 1.00 73.12 C ATOM 469 C ALA A 31 16.116 0.241 2.347 1.00 51.13 C ATOM 470 O ALA A 31 17.203 0.618 1.906 1.00 43.05 O ATOM 471 CB ALA A 31 17.210 -0.934 4.265 1.00 3.23 C ATOM 0 H ALA A 31 16.833 -2.417 2.045 1.00 52.24 H new ATOM 0 HA ALA A 31 15.109 -0.850 3.875 1.00 73.12 H new ATOM 0 HB1 ALA A 31 17.232 0.013 4.804 1.00 3.23 H new ATOM 0 HB2 ALA A 31 17.106 -1.753 4.976 1.00 3.23 H new ATOM 0 HB3 ALA A 31 18.138 -1.055 3.706 1.00 3.23 H new ATOM 477 N ILE A 32 14.965 0.822 2.029 1.00 62.14 N ATOM 478 CA ILE A 32 14.910 1.964 1.125 1.00 64.14 C ATOM 479 C ILE A 32 14.017 3.066 1.686 1.00 70.45 C ATOM 480 O ILE A 32 12.790 2.983 1.616 1.00 51.21 O ATOM 481 CB ILE A 32 14.390 1.557 -0.265 1.00 74.40 C ATOM 482 CG1 ILE A 32 13.128 0.701 -0.133 1.00 13.02 C ATOM 483 CG2 ILE A 32 15.466 0.805 -1.034 1.00 12.13 C ATOM 484 CD1 ILE A 32 12.031 1.088 -1.100 1.00 71.10 C ATOM 0 H ILE A 32 14.057 0.521 2.384 1.00 62.14 H new ATOM 0 HA ILE A 32 15.929 2.339 1.027 1.00 64.14 H new ATOM 0 HB ILE A 32 14.137 2.461 -0.819 1.00 74.40 H new ATOM 0 HG12 ILE A 32 13.390 -0.345 -0.293 1.00 13.02 H new ATOM 0 HG13 ILE A 32 12.749 0.782 0.886 1.00 13.02 H new ATOM 0 HG21 ILE A 32 15.083 0.524 -2.015 1.00 12.13 H new ATOM 0 HG22 ILE A 32 16.340 1.444 -1.155 1.00 12.13 H new ATOM 0 HG23 ILE A 32 15.747 -0.093 -0.483 1.00 12.13 H new ATOM 0 HD11 ILE A 32 11.168 0.440 -0.950 1.00 71.10 H new ATOM 0 HD12 ILE A 32 11.741 2.124 -0.926 1.00 71.10 H new ATOM 0 HD13 ILE A 32 12.392 0.979 -2.123 1.00 71.10 H new ATOM 496 N LYS A 33 14.640 4.100 2.241 1.00 12.44 N ATOM 497 CA LYS A 33 13.904 5.221 2.812 1.00 21.22 C ATOM 498 C LYS A 33 13.565 6.251 1.739 1.00 2.45 C ATOM 499 O LYS A 33 14.426 7.014 1.304 1.00 32.45 O ATOM 500 CB LYS A 33 14.721 5.880 3.927 1.00 71.31 C ATOM 501 CG LYS A 33 15.545 4.896 4.739 1.00 25.11 C ATOM 502 CD LYS A 33 15.791 5.406 6.149 1.00 54.42 C ATOM 503 CE LYS A 33 16.115 4.268 7.104 1.00 41.25 C ATOM 504 NZ LYS A 33 16.123 4.719 8.523 1.00 24.12 N ATOM 0 H LYS A 33 15.654 4.185 2.307 1.00 12.44 H new ATOM 0 HA LYS A 33 12.973 4.837 3.230 1.00 21.22 H new ATOM 0 HB2 LYS A 33 15.387 6.623 3.488 1.00 71.31 H new ATOM 0 HB3 LYS A 33 14.045 6.413 4.595 1.00 71.31 H new ATOM 0 HG2 LYS A 33 15.029 3.937 4.783 1.00 25.11 H new ATOM 0 HG3 LYS A 33 16.499 4.722 4.242 1.00 25.11 H new ATOM 0 HD2 LYS A 33 16.614 6.121 6.140 1.00 54.42 H new ATOM 0 HD3 LYS A 33 14.909 5.940 6.503 1.00 54.42 H new ATOM 0 HE2 LYS A 33 15.382 3.471 6.981 1.00 41.25 H new ATOM 0 HE3 LYS A 33 17.088 3.848 6.851 1.00 41.25 H new ATOM 0 HZ1 LYS A 33 16.348 3.914 9.142 1.00 24.12 H new ATOM 0 HZ2 LYS A 33 16.840 5.462 8.647 1.00 24.12 H new ATOM 0 HZ3 LYS A 33 15.187 5.096 8.773 1.00 24.12 H new ATOM 518 N ASN A 34 12.304 6.269 1.320 1.00 55.11 N ATOM 519 CA ASN A 34 11.851 7.207 0.299 1.00 32.43 C ATOM 520 C ASN A 34 10.673 8.034 0.803 1.00 11.32 C ATOM 521 O ASN A 34 9.538 7.559 0.836 1.00 23.52 O ATOM 522 CB ASN A 34 11.453 6.454 -0.973 1.00 2.22 C ATOM 523 CG ASN A 34 12.597 5.641 -1.547 1.00 2.51 C ATOM 524 OD1 ASN A 34 13.708 6.146 -1.717 1.00 24.40 O ATOM 525 ND2 ASN A 34 12.331 4.376 -1.847 1.00 1.24 N ATOM 0 H ASN A 34 11.578 5.645 1.671 1.00 55.11 H new ATOM 0 HA ASN A 34 12.675 7.883 0.071 1.00 32.43 H new ATOM 0 HB2 ASN A 34 10.615 5.792 -0.753 1.00 2.22 H new ATOM 0 HB3 ASN A 34 11.107 7.168 -1.721 1.00 2.22 H new ATOM 0 HD21 ASN A 34 13.062 3.779 -2.235 1.00 1.24 H new ATOM 0 HD22 ASN A 34 11.396 4.000 -1.689 1.00 1.24 H new ATOM 532 N GLU A 35 10.952 9.273 1.197 1.00 73.13 N ATOM 533 CA GLU A 35 9.915 10.165 1.701 1.00 25.42 C ATOM 534 C GLU A 35 9.045 10.687 0.561 1.00 24.13 C ATOM 535 O GLU A 35 7.823 10.762 0.683 1.00 50.44 O ATOM 536 CB GLU A 35 10.544 11.339 2.456 1.00 73.34 C ATOM 537 CG GLU A 35 10.134 11.411 3.917 1.00 1.01 C ATOM 538 CD GLU A 35 8.635 11.301 4.110 1.00 62.34 C ATOM 539 OE1 GLU A 35 7.895 12.072 3.464 1.00 72.10 O ATOM 540 OE2 GLU A 35 8.201 10.443 4.906 1.00 51.34 O ATOM 0 H GLU A 35 11.887 9.681 1.177 1.00 73.13 H new ATOM 0 HA GLU A 35 9.285 9.598 2.386 1.00 25.42 H new ATOM 0 HB2 GLU A 35 11.629 11.260 2.395 1.00 73.34 H new ATOM 0 HB3 GLU A 35 10.264 12.270 1.962 1.00 73.34 H new ATOM 0 HG2 GLU A 35 10.627 10.610 4.468 1.00 1.01 H new ATOM 0 HG3 GLU A 35 10.483 12.352 4.342 1.00 1.01 H new ATOM 547 N GLN A 36 9.686 11.047 -0.547 1.00 1.10 N ATOM 548 CA GLN A 36 8.971 11.563 -1.709 1.00 50.32 C ATOM 549 C GLN A 36 8.192 10.453 -2.405 1.00 61.53 C ATOM 550 O GLN A 36 7.001 10.600 -2.690 1.00 51.50 O ATOM 551 CB GLN A 36 9.950 12.209 -2.691 1.00 52.43 C ATOM 552 CG GLN A 36 9.364 13.394 -3.443 1.00 14.22 C ATOM 553 CD GLN A 36 9.312 13.165 -4.940 1.00 23.22 C ATOM 554 OE1 GLN A 36 8.240 13.194 -5.547 1.00 14.13 O ATOM 555 NE2 GLN A 36 10.471 12.937 -5.546 1.00 12.21 N ATOM 0 H GLN A 36 10.698 10.991 -0.664 1.00 1.10 H new ATOM 0 HA GLN A 36 8.263 12.317 -1.364 1.00 50.32 H new ATOM 0 HB2 GLN A 36 10.835 12.537 -2.146 1.00 52.43 H new ATOM 0 HB3 GLN A 36 10.278 11.459 -3.411 1.00 52.43 H new ATOM 0 HG2 GLN A 36 8.358 13.592 -3.074 1.00 14.22 H new ATOM 0 HG3 GLN A 36 9.960 14.282 -3.235 1.00 14.22 H new ATOM 0 HE21 GLN A 36 11.335 12.922 -5.005 1.00 12.21 H new ATOM 0 HE22 GLN A 36 10.497 12.777 -6.553 1.00 12.21 H new ATOM 564 N LEU A 37 8.868 9.344 -2.679 1.00 54.32 N ATOM 565 CA LEU A 37 8.239 8.207 -3.344 1.00 44.52 C ATOM 566 C LEU A 37 7.085 7.659 -2.509 1.00 71.01 C ATOM 567 O LEU A 37 6.051 7.262 -3.046 1.00 40.22 O ATOM 568 CB LEU A 37 9.269 7.104 -3.596 1.00 3.12 C ATOM 569 CG LEU A 37 10.594 7.554 -4.212 1.00 13.11 C ATOM 570 CD1 LEU A 37 11.497 6.357 -4.467 1.00 74.32 C ATOM 571 CD2 LEU A 37 10.350 8.324 -5.502 1.00 73.52 C ATOM 0 H LEU A 37 9.853 9.207 -2.451 1.00 54.32 H new ATOM 0 HA LEU A 37 7.842 8.550 -4.299 1.00 44.52 H new ATOM 0 HB2 LEU A 37 9.481 6.609 -2.648 1.00 3.12 H new ATOM 0 HB3 LEU A 37 8.820 6.358 -4.252 1.00 3.12 H new ATOM 0 HG LEU A 37 11.093 8.217 -3.506 1.00 13.11 H new ATOM 0 HD11 LEU A 37 12.435 6.696 -4.906 1.00 74.32 H new ATOM 0 HD12 LEU A 37 11.700 5.847 -3.525 1.00 74.32 H new ATOM 0 HD13 LEU A 37 11.004 5.669 -5.153 1.00 74.32 H new ATOM 0 HD21 LEU A 37 11.305 8.636 -5.926 1.00 73.52 H new ATOM 0 HD22 LEU A 37 9.829 7.685 -6.214 1.00 73.52 H new ATOM 0 HD23 LEU A 37 9.742 9.204 -5.291 1.00 73.52 H new ATOM 583 N LEU A 38 7.269 7.643 -1.193 1.00 0.03 N ATOM 584 CA LEU A 38 6.242 7.146 -0.284 1.00 42.40 C ATOM 585 C LEU A 38 4.977 7.994 -0.374 1.00 35.14 C ATOM 586 O LEU A 38 3.871 7.465 -0.480 1.00 33.43 O ATOM 587 CB LEU A 38 6.765 7.141 1.154 1.00 23.15 C ATOM 588 CG LEU A 38 5.748 6.783 2.237 1.00 72.34 C ATOM 589 CD1 LEU A 38 4.949 8.010 2.647 1.00 20.01 C ATOM 590 CD2 LEU A 38 4.821 5.678 1.753 1.00 61.51 C ATOM 0 H LEU A 38 8.119 7.968 -0.732 1.00 0.03 H new ATOM 0 HA LEU A 38 5.995 6.126 -0.578 1.00 42.40 H new ATOM 0 HB2 LEU A 38 7.594 6.436 1.215 1.00 23.15 H new ATOM 0 HB3 LEU A 38 7.169 8.129 1.376 1.00 23.15 H new ATOM 0 HG LEU A 38 6.289 6.420 3.111 1.00 72.34 H new ATOM 0 HD11 LEU A 38 4.230 7.735 3.419 1.00 20.01 H new ATOM 0 HD12 LEU A 38 5.625 8.771 3.036 1.00 20.01 H new ATOM 0 HD13 LEU A 38 4.418 8.405 1.781 1.00 20.01 H new ATOM 0 HD21 LEU A 38 4.103 5.436 2.537 1.00 61.51 H new ATOM 0 HD22 LEU A 38 4.288 6.014 0.864 1.00 61.51 H new ATOM 0 HD23 LEU A 38 5.407 4.791 1.511 1.00 61.51 H new ATOM 602 N GLN A 39 5.151 9.310 -0.333 1.00 5.03 N ATOM 603 CA GLN A 39 4.023 10.232 -0.413 1.00 41.43 C ATOM 604 C GLN A 39 3.294 10.087 -1.744 1.00 52.15 C ATOM 605 O GLN A 39 2.076 9.904 -1.780 1.00 22.00 O ATOM 606 CB GLN A 39 4.501 11.674 -0.234 1.00 72.33 C ATOM 607 CG GLN A 39 4.051 12.306 1.073 1.00 3.43 C ATOM 608 CD GLN A 39 2.614 12.787 1.026 1.00 34.04 C ATOM 609 OE1 GLN A 39 1.818 12.318 0.212 1.00 3.12 O ATOM 610 NE2 GLN A 39 2.275 13.728 1.899 1.00 53.22 N ATOM 0 H GLN A 39 6.061 9.763 -0.245 1.00 5.03 H new ATOM 0 HA GLN A 39 3.328 9.985 0.390 1.00 41.43 H new ATOM 0 HB2 GLN A 39 5.590 11.696 -0.283 1.00 72.33 H new ATOM 0 HB3 GLN A 39 4.133 12.276 -1.065 1.00 72.33 H new ATOM 0 HG2 GLN A 39 4.161 11.581 1.879 1.00 3.43 H new ATOM 0 HG3 GLN A 39 4.704 13.146 1.309 1.00 3.43 H new ATOM 0 HE21 GLN A 39 2.968 14.088 2.556 1.00 53.22 H new ATOM 0 HE22 GLN A 39 1.322 14.091 1.913 1.00 53.22 H new ATOM 619 N LEU A 40 4.045 10.168 -2.836 1.00 31.13 N ATOM 620 CA LEU A 40 3.470 10.046 -4.171 1.00 61.32 C ATOM 621 C LEU A 40 2.827 8.677 -4.364 1.00 52.45 C ATOM 622 O LEU A 40 1.667 8.577 -4.765 1.00 74.34 O ATOM 623 CB LEU A 40 4.547 10.270 -5.235 1.00 3.31 C ATOM 624 CG LEU A 40 4.121 11.076 -6.462 1.00 74.52 C ATOM 625 CD1 LEU A 40 5.250 11.133 -7.480 1.00 64.32 C ATOM 626 CD2 LEU A 40 2.868 10.477 -7.085 1.00 41.33 C ATOM 0 H LEU A 40 5.054 10.318 -2.824 1.00 31.13 H new ATOM 0 HA LEU A 40 2.698 10.808 -4.278 1.00 61.32 H new ATOM 0 HB2 LEU A 40 5.391 10.777 -4.768 1.00 3.31 H new ATOM 0 HB3 LEU A 40 4.905 9.297 -5.571 1.00 3.31 H new ATOM 0 HG LEU A 40 3.893 12.094 -6.144 1.00 74.52 H new ATOM 0 HD11 LEU A 40 4.929 11.711 -8.347 1.00 64.32 H new ATOM 0 HD12 LEU A 40 6.122 11.608 -7.030 1.00 64.32 H new ATOM 0 HD13 LEU A 40 5.509 10.122 -7.793 1.00 64.32 H new ATOM 0 HD21 LEU A 40 2.579 11.064 -7.957 1.00 41.33 H new ATOM 0 HD22 LEU A 40 3.068 9.450 -7.389 1.00 41.33 H new ATOM 0 HD23 LEU A 40 2.058 10.488 -6.356 1.00 41.33 H new ATOM 638 N ILE A 41 3.586 7.626 -4.073 1.00 2.03 N ATOM 639 CA ILE A 41 3.088 6.263 -4.212 1.00 43.31 C ATOM 640 C ILE A 41 1.883 6.024 -3.308 1.00 42.13 C ATOM 641 O ILE A 41 0.981 5.258 -3.649 1.00 64.12 O ATOM 642 CB ILE A 41 4.179 5.228 -3.877 1.00 61.30 C ATOM 643 CG1 ILE A 41 5.283 5.259 -4.936 1.00 45.11 C ATOM 644 CG2 ILE A 41 3.574 3.836 -3.775 1.00 0.33 C ATOM 645 CD1 ILE A 41 6.558 4.571 -4.500 1.00 50.00 C ATOM 0 H ILE A 41 4.548 7.692 -3.740 1.00 2.03 H new ATOM 0 HA ILE A 41 2.789 6.141 -5.253 1.00 43.31 H new ATOM 0 HB ILE A 41 4.619 5.483 -2.913 1.00 61.30 H new ATOM 0 HG12 ILE A 41 4.916 4.784 -5.846 1.00 45.11 H new ATOM 0 HG13 ILE A 41 5.507 6.296 -5.186 1.00 45.11 H new ATOM 0 HG21 ILE A 41 4.357 3.116 -3.538 1.00 0.33 H new ATOM 0 HG22 ILE A 41 2.819 3.824 -2.989 1.00 0.33 H new ATOM 0 HG23 ILE A 41 3.112 3.570 -4.725 1.00 0.33 H new ATOM 0 HD11 ILE A 41 7.296 4.632 -5.300 1.00 50.00 H new ATOM 0 HD12 ILE A 41 6.949 5.060 -3.608 1.00 50.00 H new ATOM 0 HD13 ILE A 41 6.349 3.525 -4.278 1.00 50.00 H new ATOM 657 N PHE A 42 1.873 6.685 -2.156 1.00 42.50 N ATOM 658 CA PHE A 42 0.778 6.546 -1.203 1.00 72.34 C ATOM 659 C PHE A 42 -0.545 6.981 -1.827 1.00 14.10 C ATOM 660 O PHE A 42 -1.533 6.248 -1.789 1.00 63.55 O ATOM 661 CB PHE A 42 1.058 7.373 0.053 1.00 34.11 C ATOM 662 CG PHE A 42 -0.112 7.455 0.991 1.00 3.11 C ATOM 663 CD1 PHE A 42 -0.697 6.303 1.493 1.00 62.22 C ATOM 664 CD2 PHE A 42 -0.628 8.684 1.369 1.00 45.44 C ATOM 665 CE1 PHE A 42 -1.774 6.375 2.355 1.00 43.03 C ATOM 666 CE2 PHE A 42 -1.705 8.762 2.232 1.00 74.21 C ATOM 667 CZ PHE A 42 -2.280 7.607 2.725 1.00 34.42 C ATOM 0 H PHE A 42 2.611 7.323 -1.859 1.00 42.50 H new ATOM 0 HA PHE A 42 0.701 5.494 -0.927 1.00 72.34 H new ATOM 0 HB2 PHE A 42 1.907 6.940 0.581 1.00 34.11 H new ATOM 0 HB3 PHE A 42 1.347 8.381 -0.243 1.00 34.11 H new ATOM 0 HD1 PHE A 42 -0.306 5.338 1.207 1.00 62.22 H new ATOM 0 HD2 PHE A 42 -0.184 9.591 0.985 1.00 45.44 H new ATOM 0 HE1 PHE A 42 -2.220 5.470 2.739 1.00 43.03 H new ATOM 0 HE2 PHE A 42 -2.097 9.726 2.521 1.00 74.21 H new ATOM 0 HZ PHE A 42 -3.123 7.666 3.398 1.00 34.42 H new ATOM 677 N LYS A 43 -0.555 8.179 -2.402 1.00 20.13 N ATOM 678 CA LYS A 43 -1.754 8.714 -3.035 1.00 71.14 C ATOM 679 C LYS A 43 -2.046 7.990 -4.346 1.00 14.11 C ATOM 680 O LYS A 43 -3.200 7.869 -4.756 1.00 63.12 O ATOM 681 CB LYS A 43 -1.594 10.213 -3.294 1.00 1.45 C ATOM 682 CG LYS A 43 -2.825 11.027 -2.937 1.00 63.43 C ATOM 683 CD LYS A 43 -2.801 12.396 -3.599 1.00 75.34 C ATOM 684 CE LYS A 43 -4.207 12.894 -3.899 1.00 21.35 C ATOM 685 NZ LYS A 43 -4.531 12.800 -5.350 1.00 42.22 N ATOM 0 H LYS A 43 0.255 8.798 -2.442 1.00 20.13 H new ATOM 0 HA LYS A 43 -2.593 8.556 -2.357 1.00 71.14 H new ATOM 0 HB2 LYS A 43 -0.745 10.584 -2.720 1.00 1.45 H new ATOM 0 HB3 LYS A 43 -1.359 10.368 -4.347 1.00 1.45 H new ATOM 0 HG2 LYS A 43 -3.721 10.488 -3.246 1.00 63.43 H new ATOM 0 HG3 LYS A 43 -2.882 11.146 -1.855 1.00 63.43 H new ATOM 0 HD2 LYS A 43 -2.293 13.107 -2.948 1.00 75.34 H new ATOM 0 HD3 LYS A 43 -2.227 12.344 -4.524 1.00 75.34 H new ATOM 0 HE2 LYS A 43 -4.929 12.311 -3.327 1.00 21.35 H new ATOM 0 HE3 LYS A 43 -4.303 13.929 -3.572 1.00 21.35 H new ATOM 0 HZ1 LYS A 43 -5.497 13.149 -5.513 1.00 42.22 H new ATOM 0 HZ2 LYS A 43 -3.858 13.377 -5.894 1.00 42.22 H new ATOM 0 HZ3 LYS A 43 -4.464 11.809 -5.657 1.00 42.22 H new ATOM 699 N SER A 44 -0.992 7.509 -4.998 1.00 64.12 N ATOM 700 CA SER A 44 -1.136 6.799 -6.264 1.00 63.10 C ATOM 701 C SER A 44 -1.785 5.434 -6.051 1.00 1.12 C ATOM 702 O SER A 44 -2.743 5.077 -6.736 1.00 63.42 O ATOM 703 CB SER A 44 0.228 6.629 -6.935 1.00 61.22 C ATOM 704 OG SER A 44 0.764 7.881 -7.326 1.00 13.33 O ATOM 0 H SER A 44 -0.030 7.598 -4.671 1.00 64.12 H new ATOM 0 HA SER A 44 -1.781 7.391 -6.913 1.00 63.10 H new ATOM 0 HB2 SER A 44 0.915 6.134 -6.249 1.00 61.22 H new ATOM 0 HB3 SER A 44 0.129 5.984 -7.808 1.00 61.22 H new ATOM 0 HG SER A 44 1.154 8.328 -6.546 1.00 13.33 H new ATOM 710 N ILE A 45 -1.255 4.677 -5.096 1.00 32.00 N ATOM 711 CA ILE A 45 -1.782 3.353 -4.791 1.00 10.24 C ATOM 712 C ILE A 45 -3.196 3.440 -4.228 1.00 63.22 C ATOM 713 O ILE A 45 -4.035 2.578 -4.490 1.00 0.12 O ATOM 714 CB ILE A 45 -0.886 2.608 -3.785 1.00 2.41 C ATOM 715 CG1 ILE A 45 0.479 2.308 -4.408 1.00 61.20 C ATOM 716 CG2 ILE A 45 -1.558 1.323 -3.326 1.00 10.00 C ATOM 717 CD1 ILE A 45 1.409 1.546 -3.489 1.00 51.11 C ATOM 0 H ILE A 45 -0.461 4.958 -4.520 1.00 32.00 H new ATOM 0 HA ILE A 45 -1.801 2.798 -5.729 1.00 10.24 H new ATOM 0 HB ILE A 45 -0.735 3.247 -2.915 1.00 2.41 H new ATOM 0 HG12 ILE A 45 0.333 1.733 -5.322 1.00 61.20 H new ATOM 0 HG13 ILE A 45 0.953 3.247 -4.694 1.00 61.20 H new ATOM 0 HG21 ILE A 45 -0.912 0.808 -2.615 1.00 10.00 H new ATOM 0 HG22 ILE A 45 -2.508 1.560 -2.847 1.00 10.00 H new ATOM 0 HG23 ILE A 45 -1.737 0.678 -4.187 1.00 10.00 H new ATOM 0 HD11 ILE A 45 2.357 1.369 -3.997 1.00 51.11 H new ATOM 0 HD12 ILE A 45 1.585 2.129 -2.585 1.00 51.11 H new ATOM 0 HD13 ILE A 45 0.956 0.591 -3.223 1.00 51.11 H new ATOM 729 N ASP A 46 -3.455 4.488 -3.454 1.00 2.22 N ATOM 730 CA ASP A 46 -4.769 4.691 -2.856 1.00 5.31 C ATOM 731 C ASP A 46 -5.719 5.362 -3.843 1.00 15.02 C ATOM 732 O ASP A 46 -5.460 6.469 -4.314 1.00 10.12 O ATOM 733 CB ASP A 46 -4.651 5.539 -1.588 1.00 13.51 C ATOM 734 CG ASP A 46 -5.705 5.189 -0.557 1.00 64.13 C ATOM 735 OD1 ASP A 46 -6.744 4.615 -0.944 1.00 52.44 O ATOM 736 OD2 ASP A 46 -5.493 5.492 0.636 1.00 15.34 O ATOM 0 H ASP A 46 -2.772 5.210 -3.226 1.00 2.22 H new ATOM 0 HA ASP A 46 -5.175 3.714 -2.595 1.00 5.31 H new ATOM 0 HB2 ASP A 46 -3.661 5.401 -1.153 1.00 13.51 H new ATOM 0 HB3 ASP A 46 -4.739 6.593 -1.850 1.00 13.51 H new ATOM 741 N ALA A 47 -6.818 4.682 -4.154 1.00 14.22 N ATOM 742 CA ALA A 47 -7.806 5.213 -5.085 1.00 74.25 C ATOM 743 C ALA A 47 -8.477 6.461 -4.523 1.00 14.51 C ATOM 744 O ALA A 47 -8.726 7.423 -5.248 1.00 22.51 O ATOM 745 CB ALA A 47 -8.849 4.152 -5.408 1.00 32.51 C ATOM 0 H ALA A 47 -7.046 3.763 -3.775 1.00 14.22 H new ATOM 0 HA ALA A 47 -7.289 5.493 -6.003 1.00 74.25 H new ATOM 0 HB1 ALA A 47 -9.581 4.561 -6.104 1.00 32.51 H new ATOM 0 HB2 ALA A 47 -8.361 3.288 -5.860 1.00 32.51 H new ATOM 0 HB3 ALA A 47 -9.352 3.846 -4.491 1.00 32.51 H new ATOM 751 N ASP A 48 -8.766 6.438 -3.226 1.00 24.13 N ATOM 752 CA ASP A 48 -9.407 7.570 -2.566 1.00 21.21 C ATOM 753 C ASP A 48 -8.427 8.287 -1.643 1.00 51.24 C ATOM 754 O ASP A 48 -8.670 9.416 -1.220 1.00 24.03 O ATOM 755 CB ASP A 48 -10.626 7.099 -1.770 1.00 22.43 C ATOM 756 CG ASP A 48 -10.271 6.056 -0.730 1.00 75.22 C ATOM 757 OD1 ASP A 48 -9.083 5.676 -0.650 1.00 31.15 O ATOM 758 OD2 ASP A 48 -11.180 5.619 0.006 1.00 75.30 O ATOM 0 H ASP A 48 -8.567 5.649 -2.611 1.00 24.13 H new ATOM 0 HA ASP A 48 -9.733 8.271 -3.335 1.00 21.21 H new ATOM 0 HB2 ASP A 48 -11.088 7.955 -1.279 1.00 22.43 H new ATOM 0 HB3 ASP A 48 -11.367 6.687 -2.455 1.00 22.43 H new ATOM 763 N GLY A 49 -7.318 7.621 -1.332 1.00 72.51 N ATOM 764 CA GLY A 49 -6.319 8.209 -0.459 1.00 63.22 C ATOM 765 C GLY A 49 -6.878 8.565 0.904 1.00 12.12 C ATOM 766 O GLY A 49 -6.454 9.542 1.520 1.00 22.14 O ATOM 0 H GLY A 49 -7.094 6.685 -1.669 1.00 72.51 H new ATOM 0 HA2 GLY A 49 -5.491 7.511 -0.338 1.00 63.22 H new ATOM 0 HA3 GLY A 49 -5.914 9.106 -0.928 1.00 63.22 H new ATOM 770 N ASN A 50 -7.833 7.771 1.376 1.00 64.13 N ATOM 771 CA ASN A 50 -8.453 8.009 2.675 1.00 1.44 C ATOM 772 C ASN A 50 -7.625 7.383 3.794 1.00 42.13 C ATOM 773 O ASN A 50 -7.950 6.307 4.293 1.00 65.21 O ATOM 774 CB ASN A 50 -9.873 7.443 2.698 1.00 62.32 C ATOM 775 CG ASN A 50 -9.903 5.948 2.446 1.00 72.43 C ATOM 776 OD1 ASN A 50 -8.955 5.378 1.904 1.00 43.42 O ATOM 777 ND2 ASN A 50 -10.997 5.304 2.839 1.00 23.11 N ATOM 0 H ASN A 50 -8.195 6.957 0.879 1.00 64.13 H new ATOM 0 HA ASN A 50 -8.497 9.086 2.837 1.00 1.44 H new ATOM 0 HB2 ASN A 50 -10.330 7.655 3.664 1.00 62.32 H new ATOM 0 HB3 ASN A 50 -10.475 7.948 1.943 1.00 62.32 H new ATOM 0 HD21 ASN A 50 -11.075 4.297 2.696 1.00 23.11 H new ATOM 0 HD22 ASN A 50 -11.758 5.817 3.284 1.00 23.11 H new ATOM 784 N GLY A 51 -6.554 8.067 4.185 1.00 23.44 N ATOM 785 CA GLY A 51 -5.698 7.563 5.243 1.00 3.33 C ATOM 786 C GLY A 51 -4.932 6.324 4.827 1.00 53.20 C ATOM 787 O GLY A 51 -3.731 6.217 5.076 1.00 13.21 O ATOM 0 H GLY A 51 -6.264 8.961 3.788 1.00 23.44 H new ATOM 0 HA2 GLY A 51 -4.993 8.341 5.537 1.00 3.33 H new ATOM 0 HA3 GLY A 51 -6.305 7.334 6.119 1.00 3.33 H new ATOM 791 N GLU A 52 -5.627 5.384 4.194 1.00 70.22 N ATOM 792 CA GLU A 52 -5.004 4.145 3.747 1.00 33.40 C ATOM 793 C GLU A 52 -5.741 3.570 2.541 1.00 71.22 C ATOM 794 O GLU A 52 -6.861 3.977 2.233 1.00 54.34 O ATOM 795 CB GLU A 52 -4.982 3.119 4.882 1.00 43.21 C ATOM 796 CG GLU A 52 -6.290 3.036 5.651 1.00 70.20 C ATOM 797 CD GLU A 52 -7.497 2.928 4.739 1.00 53.33 C ATOM 798 OE1 GLU A 52 -7.556 1.969 3.942 1.00 14.44 O ATOM 799 OE2 GLU A 52 -8.384 3.804 4.824 1.00 52.21 O ATOM 0 H GLU A 52 -6.621 5.458 3.980 1.00 70.22 H new ATOM 0 HA GLU A 52 -3.979 4.370 3.452 1.00 33.40 H new ATOM 0 HB2 GLU A 52 -4.750 2.137 4.469 1.00 43.21 H new ATOM 0 HB3 GLU A 52 -4.179 3.372 5.574 1.00 43.21 H new ATOM 0 HG2 GLU A 52 -6.263 2.172 6.315 1.00 70.20 H new ATOM 0 HG3 GLU A 52 -6.393 3.919 6.281 1.00 70.20 H new ATOM 806 N ILE A 53 -5.104 2.622 1.861 1.00 53.41 N ATOM 807 CA ILE A 53 -5.698 1.991 0.690 1.00 33.10 C ATOM 808 C ILE A 53 -6.445 0.717 1.072 1.00 30.31 C ATOM 809 O ILE A 53 -5.871 -0.199 1.660 1.00 50.15 O ATOM 810 CB ILE A 53 -4.632 1.649 -0.369 1.00 43.52 C ATOM 811 CG1 ILE A 53 -3.599 2.773 -0.463 1.00 21.04 C ATOM 812 CG2 ILE A 53 -5.287 1.408 -1.720 1.00 31.20 C ATOM 813 CD1 ILE A 53 -2.259 2.415 0.140 1.00 61.20 C ATOM 0 H ILE A 53 -4.176 2.274 2.102 1.00 53.41 H new ATOM 0 HA ILE A 53 -6.400 2.710 0.267 1.00 33.10 H new ATOM 0 HB ILE A 53 -4.120 0.735 -0.068 1.00 43.52 H new ATOM 0 HG12 ILE A 53 -3.457 3.038 -1.511 1.00 21.04 H new ATOM 0 HG13 ILE A 53 -3.990 3.658 0.040 1.00 21.04 H new ATOM 0 HG21 ILE A 53 -4.522 1.168 -2.458 1.00 31.20 H new ATOM 0 HG22 ILE A 53 -5.989 0.578 -1.641 1.00 31.20 H new ATOM 0 HG23 ILE A 53 -5.821 2.306 -2.031 1.00 31.20 H new ATOM 0 HD11 ILE A 53 -1.577 3.259 0.037 1.00 61.20 H new ATOM 0 HD12 ILE A 53 -2.387 2.178 1.196 1.00 61.20 H new ATOM 0 HD13 ILE A 53 -1.846 1.550 -0.378 1.00 61.20 H new ATOM 825 N ASP A 54 -7.728 0.666 0.730 1.00 52.03 N ATOM 826 CA ASP A 54 -8.554 -0.497 1.034 1.00 41.12 C ATOM 827 C ASP A 54 -8.251 -1.645 0.077 1.00 1.23 C ATOM 828 O ASP A 54 -7.708 -1.433 -1.008 1.00 44.22 O ATOM 829 CB ASP A 54 -10.037 -0.130 0.956 1.00 42.22 C ATOM 830 CG ASP A 54 -10.325 1.242 1.534 1.00 23.30 C ATOM 831 OD1 ASP A 54 -9.589 1.668 2.447 1.00 2.11 O ATOM 832 OD2 ASP A 54 -11.287 1.890 1.070 1.00 54.04 O ATOM 0 H ASP A 54 -8.218 1.416 0.242 1.00 52.03 H new ATOM 0 HA ASP A 54 -8.320 -0.822 2.048 1.00 41.12 H new ATOM 0 HB2 ASP A 54 -10.361 -0.158 -0.084 1.00 42.22 H new ATOM 0 HB3 ASP A 54 -10.622 -0.877 1.492 1.00 42.22 H new ATOM 837 N GLN A 55 -8.602 -2.859 0.486 1.00 55.05 N ATOM 838 CA GLN A 55 -8.365 -4.041 -0.335 1.00 2.14 C ATOM 839 C GLN A 55 -8.968 -3.868 -1.724 1.00 22.24 C ATOM 840 O GLN A 55 -8.330 -4.172 -2.731 1.00 32.35 O ATOM 841 CB GLN A 55 -8.952 -5.282 0.338 1.00 50.24 C ATOM 842 CG GLN A 55 -10.412 -5.127 0.734 1.00 12.13 C ATOM 843 CD GLN A 55 -10.916 -6.285 1.573 1.00 22.45 C ATOM 844 OE1 GLN A 55 -11.443 -7.265 1.045 1.00 12.21 O ATOM 845 NE2 GLN A 55 -10.757 -6.177 2.886 1.00 14.44 N ATOM 0 H GLN A 55 -9.052 -3.051 1.381 1.00 55.05 H new ATOM 0 HA GLN A 55 -7.288 -4.169 -0.440 1.00 2.14 H new ATOM 0 HB2 GLN A 55 -8.856 -6.131 -0.338 1.00 50.24 H new ATOM 0 HB3 GLN A 55 -8.366 -5.514 1.227 1.00 50.24 H new ATOM 0 HG2 GLN A 55 -10.537 -4.199 1.291 1.00 12.13 H new ATOM 0 HG3 GLN A 55 -11.021 -5.043 -0.166 1.00 12.13 H new ATOM 0 HE21 GLN A 55 -10.315 -5.346 3.280 1.00 14.44 H new ATOM 0 HE22 GLN A 55 -11.077 -6.925 3.502 1.00 14.44 H new ATOM 854 N ASN A 56 -10.202 -3.377 -1.771 1.00 61.12 N ATOM 855 CA ASN A 56 -10.893 -3.165 -3.039 1.00 45.11 C ATOM 856 C ASN A 56 -10.103 -2.215 -3.936 1.00 42.35 C ATOM 857 O ASN A 56 -9.864 -2.509 -5.106 1.00 42.34 O ATOM 858 CB ASN A 56 -12.295 -2.603 -2.791 1.00 32.41 C ATOM 859 CG ASN A 56 -13.299 -3.081 -3.822 1.00 54.33 C ATOM 860 OD1 ASN A 56 -13.202 -2.746 -5.002 1.00 43.23 O ATOM 861 ND2 ASN A 56 -14.271 -3.871 -3.378 1.00 4.31 N ATOM 0 H ASN A 56 -10.744 -3.118 -0.947 1.00 61.12 H new ATOM 0 HA ASN A 56 -10.978 -4.127 -3.544 1.00 45.11 H new ATOM 0 HB2 ASN A 56 -12.631 -2.897 -1.797 1.00 32.41 H new ATOM 0 HB3 ASN A 56 -12.255 -1.514 -2.804 1.00 32.41 H new ATOM 0 HD21 ASN A 56 -14.976 -4.225 -4.025 1.00 4.31 H new ATOM 0 HD22 ASN A 56 -14.312 -4.123 -2.391 1.00 4.31 H new ATOM 868 N GLU A 57 -9.703 -1.078 -3.376 1.00 34.02 N ATOM 869 CA GLU A 57 -8.941 -0.086 -4.126 1.00 33.23 C ATOM 870 C GLU A 57 -7.635 -0.682 -4.644 1.00 31.14 C ATOM 871 O GLU A 57 -7.246 -0.452 -5.790 1.00 10.13 O ATOM 872 CB GLU A 57 -8.646 1.133 -3.250 1.00 54.51 C ATOM 873 CG GLU A 57 -9.886 1.746 -2.623 1.00 51.25 C ATOM 874 CD GLU A 57 -9.562 2.631 -1.434 1.00 64.52 C ATOM 875 OE1 GLU A 57 -8.388 2.655 -1.014 1.00 15.03 O ATOM 876 OE2 GLU A 57 -10.486 3.300 -0.925 1.00 22.23 O ATOM 0 H GLU A 57 -9.893 -0.821 -2.407 1.00 34.02 H new ATOM 0 HA GLU A 57 -9.542 0.227 -4.980 1.00 33.23 H new ATOM 0 HB2 GLU A 57 -7.955 0.843 -2.459 1.00 54.51 H new ATOM 0 HB3 GLU A 57 -8.142 1.889 -3.852 1.00 54.51 H new ATOM 0 HG2 GLU A 57 -10.416 2.332 -3.374 1.00 51.25 H new ATOM 0 HG3 GLU A 57 -10.560 0.950 -2.306 1.00 51.25 H new ATOM 883 N PHE A 58 -6.961 -1.448 -3.793 1.00 41.24 N ATOM 884 CA PHE A 58 -5.699 -2.076 -4.163 1.00 10.14 C ATOM 885 C PHE A 58 -5.905 -3.096 -5.280 1.00 1.52 C ATOM 886 O PHE A 58 -5.103 -3.185 -6.209 1.00 52.32 O ATOM 887 CB PHE A 58 -5.066 -2.756 -2.947 1.00 21.21 C ATOM 888 CG PHE A 58 -3.598 -3.030 -3.109 1.00 61.24 C ATOM 889 CD1 PHE A 58 -3.160 -4.105 -3.864 1.00 75.14 C ATOM 890 CD2 PHE A 58 -2.657 -2.211 -2.505 1.00 73.21 C ATOM 891 CE1 PHE A 58 -1.811 -4.361 -4.015 1.00 1.34 C ATOM 892 CE2 PHE A 58 -1.306 -2.461 -2.654 1.00 3.40 C ATOM 893 CZ PHE A 58 -0.882 -3.537 -3.408 1.00 15.12 C ATOM 0 H PHE A 58 -7.268 -1.649 -2.841 1.00 41.24 H new ATOM 0 HA PHE A 58 -5.028 -1.297 -4.525 1.00 10.14 H new ATOM 0 HB2 PHE A 58 -5.215 -2.126 -2.070 1.00 21.21 H new ATOM 0 HB3 PHE A 58 -5.584 -3.696 -2.756 1.00 21.21 H new ATOM 0 HD1 PHE A 58 -3.882 -4.751 -4.341 1.00 75.14 H new ATOM 0 HD2 PHE A 58 -2.983 -1.369 -1.912 1.00 73.21 H new ATOM 0 HE1 PHE A 58 -1.483 -5.203 -4.606 1.00 1.34 H new ATOM 0 HE2 PHE A 58 -0.582 -1.815 -2.181 1.00 3.40 H new ATOM 0 HZ PHE A 58 0.174 -3.734 -3.523 1.00 15.12 H new ATOM 903 N ALA A 59 -6.985 -3.862 -5.180 1.00 71.44 N ATOM 904 CA ALA A 59 -7.299 -4.874 -6.182 1.00 52.44 C ATOM 905 C ALA A 59 -7.493 -4.245 -7.556 1.00 20.54 C ATOM 906 O ALA A 59 -6.877 -4.666 -8.537 1.00 43.25 O ATOM 907 CB ALA A 59 -8.541 -5.652 -5.775 1.00 42.11 C ATOM 0 H ALA A 59 -7.658 -3.802 -4.416 1.00 71.44 H new ATOM 0 HA ALA A 59 -6.456 -5.563 -6.243 1.00 52.44 H new ATOM 0 HB1 ALA A 59 -8.764 -6.404 -6.532 1.00 42.11 H new ATOM 0 HB2 ALA A 59 -8.366 -6.142 -4.817 1.00 42.11 H new ATOM 0 HB3 ALA A 59 -9.385 -4.968 -5.684 1.00 42.11 H new ATOM 913 N LYS A 60 -8.353 -3.234 -7.624 1.00 41.44 N ATOM 914 CA LYS A 60 -8.629 -2.545 -8.879 1.00 1.52 C ATOM 915 C LYS A 60 -7.400 -1.780 -9.360 1.00 40.15 C ATOM 916 O LYS A 60 -7.247 -1.520 -10.554 1.00 71.21 O ATOM 917 CB LYS A 60 -9.808 -1.584 -8.708 1.00 32.23 C ATOM 918 CG LYS A 60 -11.077 -2.259 -8.221 1.00 72.43 C ATOM 919 CD LYS A 60 -11.868 -2.857 -9.374 1.00 50.43 C ATOM 920 CE LYS A 60 -12.820 -1.840 -9.984 1.00 14.04 C ATOM 921 NZ LYS A 60 -14.221 -2.047 -9.528 1.00 73.13 N ATOM 0 H LYS A 60 -8.872 -2.873 -6.823 1.00 41.44 H new ATOM 0 HA LYS A 60 -8.885 -3.294 -9.628 1.00 1.52 H new ATOM 0 HB2 LYS A 60 -9.529 -0.802 -8.002 1.00 32.23 H new ATOM 0 HB3 LYS A 60 -10.009 -1.096 -9.662 1.00 32.23 H new ATOM 0 HG2 LYS A 60 -10.823 -3.043 -7.508 1.00 72.43 H new ATOM 0 HG3 LYS A 60 -11.695 -1.534 -7.691 1.00 72.43 H new ATOM 0 HD2 LYS A 60 -11.181 -3.218 -10.139 1.00 50.43 H new ATOM 0 HD3 LYS A 60 -12.433 -3.719 -9.020 1.00 50.43 H new ATOM 0 HE2 LYS A 60 -12.496 -0.834 -9.717 1.00 14.04 H new ATOM 0 HE3 LYS A 60 -12.778 -1.910 -11.071 1.00 14.04 H new ATOM 0 HZ1 LYS A 60 -14.838 -1.334 -9.966 1.00 73.13 H new ATOM 0 HZ2 LYS A 60 -14.539 -2.997 -9.805 1.00 73.13 H new ATOM 0 HZ3 LYS A 60 -14.266 -1.955 -8.493 1.00 73.13 H new ATOM 935 N PHE A 61 -6.527 -1.422 -8.424 1.00 30.41 N ATOM 936 CA PHE A 61 -5.311 -0.687 -8.754 1.00 63.25 C ATOM 937 C PHE A 61 -4.235 -1.628 -9.287 1.00 3.24 C ATOM 938 O PHE A 61 -3.432 -1.250 -10.140 1.00 22.13 O ATOM 939 CB PHE A 61 -4.791 0.058 -7.524 1.00 42.22 C ATOM 940 CG PHE A 61 -3.314 0.328 -7.565 1.00 22.53 C ATOM 941 CD1 PHE A 61 -2.762 1.069 -8.598 1.00 23.12 C ATOM 942 CD2 PHE A 61 -2.479 -0.160 -6.575 1.00 12.43 C ATOM 943 CE1 PHE A 61 -1.403 1.321 -8.640 1.00 72.53 C ATOM 944 CE2 PHE A 61 -1.119 0.088 -6.611 1.00 73.11 C ATOM 945 CZ PHE A 61 -0.581 0.829 -7.646 1.00 75.02 C ATOM 0 H PHE A 61 -6.639 -1.629 -7.431 1.00 30.41 H new ATOM 0 HA PHE A 61 -5.553 0.037 -9.532 1.00 63.25 H new ATOM 0 HB2 PHE A 61 -5.323 1.005 -7.431 1.00 42.22 H new ATOM 0 HB3 PHE A 61 -5.021 -0.525 -6.632 1.00 42.22 H new ATOM 0 HD1 PHE A 61 -3.401 1.454 -9.379 1.00 23.12 H new ATOM 0 HD2 PHE A 61 -2.894 -0.741 -5.765 1.00 12.43 H new ATOM 0 HE1 PHE A 61 -0.985 1.902 -9.449 1.00 72.53 H new ATOM 0 HE2 PHE A 61 -0.478 -0.297 -5.831 1.00 73.11 H new ATOM 0 HZ PHE A 61 0.481 1.023 -7.677 1.00 75.02 H new ATOM 955 N TYR A 62 -4.223 -2.854 -8.775 1.00 22.33 N ATOM 956 CA TYR A 62 -3.243 -3.848 -9.196 1.00 24.30 C ATOM 957 C TYR A 62 -3.411 -4.186 -10.675 1.00 71.04 C ATOM 958 O TYR A 62 -4.457 -4.679 -11.096 1.00 12.54 O ATOM 959 CB TYR A 62 -3.379 -5.117 -8.353 1.00 60.33 C ATOM 960 CG TYR A 62 -2.297 -6.139 -8.619 1.00 42.14 C ATOM 961 CD1 TYR A 62 -2.385 -7.007 -9.701 1.00 5.41 C ATOM 962 CD2 TYR A 62 -1.189 -6.238 -7.787 1.00 12.20 C ATOM 963 CE1 TYR A 62 -1.399 -7.943 -9.947 1.00 21.44 C ATOM 964 CE2 TYR A 62 -0.198 -7.171 -8.027 1.00 3.22 C ATOM 965 CZ TYR A 62 -0.307 -8.020 -9.108 1.00 41.44 C ATOM 966 OH TYR A 62 0.677 -8.951 -9.349 1.00 40.04 O ATOM 0 H TYR A 62 -4.881 -3.183 -8.068 1.00 22.33 H new ATOM 0 HA TYR A 62 -2.249 -3.426 -9.049 1.00 24.30 H new ATOM 0 HB2 TYR A 62 -3.359 -4.846 -7.297 1.00 60.33 H new ATOM 0 HB3 TYR A 62 -4.351 -5.570 -8.548 1.00 60.33 H new ATOM 0 HD1 TYR A 62 -3.238 -6.949 -10.360 1.00 5.41 H new ATOM 0 HD2 TYR A 62 -1.101 -5.575 -6.939 1.00 12.20 H new ATOM 0 HE1 TYR A 62 -1.483 -8.611 -10.792 1.00 21.44 H new ATOM 0 HE2 TYR A 62 0.658 -7.235 -7.371 1.00 3.22 H new ATOM 0 HH TYR A 62 1.376 -8.873 -8.666 1.00 40.04 H new ATOM 976 N GLY A 63 -2.370 -3.918 -11.458 1.00 60.04 N ATOM 977 CA GLY A 63 -2.421 -4.200 -12.880 1.00 3.15 C ATOM 978 C GLY A 63 -3.164 -3.132 -13.658 1.00 1.31 C ATOM 979 O GLY A 63 -3.355 -3.254 -14.867 1.00 61.21 O ATOM 0 H GLY A 63 -1.493 -3.511 -11.133 1.00 60.04 H new ATOM 0 HA2 GLY A 63 -1.405 -4.286 -13.267 1.00 3.15 H new ATOM 0 HA3 GLY A 63 -2.905 -5.164 -13.039 1.00 3.15 H new