USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN :FLIP amide:sc= 0.474 F(o=0.22,f=1) USER MOD Set 1.2: A 80 TYR OH : rot 139:sc= 0.534 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0.025) USER MOD Set 3.1: A 32 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.031) USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 6 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.22) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 168:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 1.31 (180deg=1.2) USER MOD Single : A 47 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : A 56 GLN : amide:sc=-0.00578 X(o=-0.0058,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= -1.14 (180deg=-2.56!) USER MOD Single : A 61 SER OG : rot 55:sc= 0.79 USER MOD Single : A 67 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0016) USER MOD Single : A 68 ASN : amide:sc= 0.329 K(o=0.33,f=-4.8!) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.06) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0676 USER MOD Single : A 74 CYS SG : rot -29:sc= 0 USER MOD Single : A 77 MET CE :methyl 162:sc= -6.82! (180deg=-7.57!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.055 -3.549 -7.502 1.00 71.40 N ATOM 2 CA GLY A 1 14.333 -2.613 -6.635 1.00 20.54 C ATOM 3 C GLY A 1 15.287 -1.726 -5.862 1.00 44.00 C ATOM 4 O GLY A 1 16.508 -1.906 -5.908 1.00 75.50 O ATOM 0 H1 GLY A 1 14.833 -3.343 -8.497 1.00 71.40 H new ATOM 0 H2 GLY A 1 16.078 -3.447 -7.347 1.00 71.40 H new ATOM 0 H3 GLY A 1 14.767 -4.523 -7.278 1.00 71.40 H new ATOM 0 HA2 GLY A 1 13.668 -1.995 -7.238 1.00 20.54 H new ATOM 0 HA3 GLY A 1 13.706 -3.170 -5.938 1.00 20.54 H new ATOM 8 N SER A 2 14.727 -0.744 -5.168 1.00 23.21 N ATOM 9 CA SER A 2 15.416 0.066 -4.186 1.00 24.13 C ATOM 10 C SER A 2 15.506 -0.692 -2.854 1.00 42.11 C ATOM 11 O SER A 2 15.012 -1.809 -2.692 1.00 21.45 O ATOM 12 CB SER A 2 14.639 1.379 -4.027 1.00 12.12 C ATOM 13 OG SER A 2 15.356 2.483 -4.552 1.00 20.21 O ATOM 0 H SER A 2 13.747 -0.485 -5.281 1.00 23.21 H new ATOM 0 HA SER A 2 16.434 0.284 -4.509 1.00 24.13 H new ATOM 0 HB2 SER A 2 13.678 1.296 -4.534 1.00 12.12 H new ATOM 0 HB3 SER A 2 14.429 1.551 -2.971 1.00 12.12 H new ATOM 0 HG SER A 2 15.006 3.313 -4.167 1.00 20.21 H new ATOM 19 N GLU A 3 16.136 -0.033 -1.888 1.00 20.25 N ATOM 20 CA GLU A 3 16.344 -0.458 -0.515 1.00 33.52 C ATOM 21 C GLU A 3 15.058 -0.886 0.201 1.00 42.22 C ATOM 22 O GLU A 3 15.113 -1.756 1.070 1.00 14.44 O ATOM 23 CB GLU A 3 17.029 0.701 0.234 1.00 35.11 C ATOM 24 CG GLU A 3 16.133 1.943 0.417 1.00 34.21 C ATOM 25 CD GLU A 3 16.953 3.224 0.466 1.00 75.10 C ATOM 26 OE1 GLU A 3 17.257 3.745 -0.623 1.00 73.14 O ATOM 27 OE2 GLU A 3 17.363 3.648 1.579 1.00 61.30 O ATOM 0 H GLU A 3 16.546 0.885 -2.062 1.00 20.25 H new ATOM 0 HA GLU A 3 16.970 -1.350 -0.524 1.00 33.52 H new ATOM 0 HB2 GLU A 3 17.349 0.348 1.214 1.00 35.11 H new ATOM 0 HB3 GLU A 3 17.928 0.991 -0.310 1.00 35.11 H new ATOM 0 HG2 GLU A 3 15.417 2.000 -0.403 1.00 34.21 H new ATOM 0 HG3 GLU A 3 15.557 1.844 1.337 1.00 34.21 H new ATOM 34 N ASN A 4 13.913 -0.285 -0.135 1.00 4.23 N ATOM 35 CA ASN A 4 12.661 -0.491 0.589 1.00 15.12 C ATOM 36 C ASN A 4 12.195 -1.925 0.416 1.00 20.54 C ATOM 37 O ASN A 4 11.626 -2.495 1.344 1.00 2.01 O ATOM 38 CB ASN A 4 11.539 0.445 0.108 1.00 55.21 C ATOM 39 CG ASN A 4 12.053 1.809 -0.311 1.00 64.31 C ATOM 40 OD1 ASN A 4 12.291 2.669 0.527 1.00 51.10 O ATOM 41 ND2 ASN A 4 12.269 2.013 -1.597 1.00 4.01 N ATOM 0 H ASN A 4 13.831 0.360 -0.921 1.00 4.23 H new ATOM 0 HA ASN A 4 12.865 -0.269 1.637 1.00 15.12 H new ATOM 0 HB2 ASN A 4 11.021 -0.017 -0.732 1.00 55.21 H new ATOM 0 HB3 ASN A 4 10.806 0.567 0.906 1.00 55.21 H new ATOM 0 HD21 ASN A 4 12.644 2.906 -1.916 1.00 4.01 H new ATOM 0 HD22 ASN A 4 12.061 1.277 -2.272 1.00 4.01 H new ATOM 48 N PHE A 5 12.446 -2.498 -0.764 1.00 2.11 N ATOM 49 CA PHE A 5 12.031 -3.829 -1.169 1.00 44.30 C ATOM 50 C PHE A 5 12.284 -4.865 -0.075 1.00 61.25 C ATOM 51 O PHE A 5 11.357 -5.570 0.320 1.00 40.44 O ATOM 52 CB PHE A 5 12.764 -4.188 -2.469 1.00 22.13 C ATOM 53 CG PHE A 5 12.360 -5.503 -3.107 1.00 23.30 C ATOM 54 CD1 PHE A 5 11.017 -5.756 -3.447 1.00 23.43 C ATOM 55 CD2 PHE A 5 13.341 -6.470 -3.397 1.00 22.41 C ATOM 56 CE1 PHE A 5 10.666 -6.970 -4.065 1.00 51.44 C ATOM 57 CE2 PHE A 5 12.989 -7.671 -4.037 1.00 73.15 C ATOM 58 CZ PHE A 5 11.650 -7.921 -4.378 1.00 53.05 C ATOM 0 H PHE A 5 12.971 -2.016 -1.494 1.00 2.11 H new ATOM 0 HA PHE A 5 10.955 -3.835 -1.341 1.00 44.30 H new ATOM 0 HB2 PHE A 5 12.599 -3.388 -3.191 1.00 22.13 H new ATOM 0 HB3 PHE A 5 13.834 -4.217 -2.265 1.00 22.13 H new ATOM 0 HD1 PHE A 5 10.257 -5.019 -3.233 1.00 23.43 H new ATOM 0 HD2 PHE A 5 14.371 -6.288 -3.126 1.00 22.41 H new ATOM 0 HE1 PHE A 5 9.632 -7.172 -4.300 1.00 51.44 H new ATOM 0 HE2 PHE A 5 13.750 -8.403 -4.267 1.00 73.15 H new ATOM 0 HZ PHE A 5 11.379 -8.839 -4.878 1.00 53.05 H new ATOM 68 N GLN A 6 13.518 -4.961 0.427 1.00 72.55 N ATOM 69 CA GLN A 6 13.861 -6.020 1.371 1.00 51.13 C ATOM 70 C GLN A 6 13.199 -5.816 2.733 1.00 31.20 C ATOM 71 O GLN A 6 12.750 -6.784 3.341 1.00 73.23 O ATOM 72 CB GLN A 6 15.381 -6.143 1.515 1.00 4.22 C ATOM 73 CG GLN A 6 15.817 -7.430 2.230 1.00 72.45 C ATOM 74 CD GLN A 6 15.320 -8.669 1.494 1.00 0.12 C ATOM 75 OE1 GLN A 6 15.879 -9.054 0.472 1.00 40.22 O ATOM 76 NE2 GLN A 6 14.229 -9.260 1.944 1.00 61.31 N ATOM 0 H GLN A 6 14.284 -4.327 0.198 1.00 72.55 H new ATOM 0 HA GLN A 6 13.472 -6.954 0.965 1.00 51.13 H new ATOM 0 HB2 GLN A 6 15.837 -6.112 0.526 1.00 4.22 H new ATOM 0 HB3 GLN A 6 15.758 -5.282 2.067 1.00 4.22 H new ATOM 0 HG2 GLN A 6 16.904 -7.458 2.301 1.00 72.45 H new ATOM 0 HG3 GLN A 6 15.431 -7.431 3.249 1.00 72.45 H new ATOM 0 HE21 GLN A 6 13.781 -8.923 2.796 1.00 61.31 H new ATOM 0 HE22 GLN A 6 13.834 -10.054 1.440 1.00 61.31 H new ATOM 85 N THR A 7 13.136 -4.577 3.211 1.00 0.32 N ATOM 86 CA THR A 7 12.502 -4.245 4.478 1.00 72.21 C ATOM 87 C THR A 7 10.988 -4.496 4.401 1.00 31.34 C ATOM 88 O THR A 7 10.375 -4.947 5.370 1.00 2.22 O ATOM 89 CB THR A 7 12.888 -2.792 4.797 1.00 71.20 C ATOM 90 OG1 THR A 7 14.296 -2.752 4.977 1.00 54.04 O ATOM 91 CG2 THR A 7 12.205 -2.233 6.044 1.00 1.23 C ATOM 0 H THR A 7 13.527 -3.770 2.724 1.00 0.32 H new ATOM 0 HA THR A 7 12.844 -4.880 5.295 1.00 72.21 H new ATOM 0 HB THR A 7 12.557 -2.169 3.966 1.00 71.20 H new ATOM 0 HG1 THR A 7 14.574 -1.835 5.181 1.00 54.04 H new ATOM 0 HG21 THR A 7 12.527 -1.204 6.205 1.00 1.23 H new ATOM 0 HG22 THR A 7 11.124 -2.258 5.909 1.00 1.23 H new ATOM 0 HG23 THR A 7 12.477 -2.837 6.909 1.00 1.23 H new ATOM 99 N LEU A 8 10.374 -4.268 3.236 1.00 75.54 N ATOM 100 CA LEU A 8 8.985 -4.639 3.009 1.00 15.31 C ATOM 101 C LEU A 8 8.822 -6.158 3.085 1.00 55.44 C ATOM 102 O LEU A 8 7.906 -6.649 3.745 1.00 23.52 O ATOM 103 CB LEU A 8 8.526 -4.134 1.639 1.00 1.30 C ATOM 104 CG LEU A 8 8.297 -2.611 1.544 1.00 54.24 C ATOM 105 CD1 LEU A 8 8.183 -2.246 0.060 1.00 12.01 C ATOM 106 CD2 LEU A 8 7.068 -2.169 2.347 1.00 33.54 C ATOM 0 H LEU A 8 10.825 -3.826 2.435 1.00 75.54 H new ATOM 0 HA LEU A 8 8.370 -4.181 3.783 1.00 15.31 H new ATOM 0 HB2 LEU A 8 9.270 -4.421 0.896 1.00 1.30 H new ATOM 0 HB3 LEU A 8 7.599 -4.642 1.374 1.00 1.30 H new ATOM 0 HG LEU A 8 9.139 -2.078 1.987 1.00 54.24 H new ATOM 0 HD11 LEU A 8 8.020 -1.173 -0.039 1.00 12.01 H new ATOM 0 HD12 LEU A 8 9.103 -2.523 -0.454 1.00 12.01 H new ATOM 0 HD13 LEU A 8 7.344 -2.783 -0.383 1.00 12.01 H new ATOM 0 HD21 LEU A 8 6.941 -1.090 2.254 1.00 33.54 H new ATOM 0 HD22 LEU A 8 6.181 -2.673 1.962 1.00 33.54 H new ATOM 0 HD23 LEU A 8 7.206 -2.429 3.396 1.00 33.54 H new ATOM 118 N LEU A 9 9.688 -6.901 2.393 1.00 63.31 N ATOM 119 CA LEU A 9 9.666 -8.364 2.361 1.00 74.25 C ATOM 120 C LEU A 9 9.853 -8.971 3.754 1.00 13.04 C ATOM 121 O LEU A 9 9.477 -10.124 3.962 1.00 75.34 O ATOM 122 CB LEU A 9 10.780 -8.874 1.433 1.00 62.55 C ATOM 123 CG LEU A 9 10.488 -8.685 -0.062 1.00 21.54 C ATOM 124 CD1 LEU A 9 11.788 -8.678 -0.865 1.00 0.21 C ATOM 125 CD2 LEU A 9 9.604 -9.805 -0.607 1.00 62.31 C ATOM 0 H LEU A 9 10.436 -6.496 1.830 1.00 63.31 H new ATOM 0 HA LEU A 9 8.689 -8.672 1.989 1.00 74.25 H new ATOM 0 HB2 LEU A 9 11.708 -8.357 1.679 1.00 62.55 H new ATOM 0 HB3 LEU A 9 10.944 -9.934 1.629 1.00 62.55 H new ATOM 0 HG LEU A 9 9.970 -7.731 -0.165 1.00 21.54 H new ATOM 0 HD11 LEU A 9 11.562 -8.543 -1.923 1.00 0.21 H new ATOM 0 HD12 LEU A 9 12.423 -7.861 -0.523 1.00 0.21 H new ATOM 0 HD13 LEU A 9 12.308 -9.625 -0.723 1.00 0.21 H new ATOM 0 HD21 LEU A 9 9.418 -9.638 -1.668 1.00 62.31 H new ATOM 0 HD22 LEU A 9 10.106 -10.763 -0.473 1.00 62.31 H new ATOM 0 HD23 LEU A 9 8.656 -9.814 -0.070 1.00 62.31 H new ATOM 137 N ASP A 10 10.426 -8.225 4.701 1.00 21.52 N ATOM 138 CA ASP A 10 10.607 -8.680 6.087 1.00 43.15 C ATOM 139 C ASP A 10 9.326 -8.489 6.895 1.00 71.52 C ATOM 140 O ASP A 10 9.035 -9.242 7.821 1.00 15.40 O ATOM 141 CB ASP A 10 11.735 -7.902 6.781 1.00 64.23 C ATOM 142 CG ASP A 10 11.973 -8.457 8.190 1.00 71.32 C ATOM 143 OD1 ASP A 10 12.700 -9.460 8.312 1.00 15.31 O ATOM 144 OD2 ASP A 10 11.402 -7.927 9.180 1.00 40.41 O ATOM 0 H ASP A 10 10.780 -7.284 4.530 1.00 21.52 H new ATOM 0 HA ASP A 10 10.863 -9.739 6.044 1.00 43.15 H new ATOM 0 HB2 ASP A 10 12.651 -7.975 6.194 1.00 64.23 H new ATOM 0 HB3 ASP A 10 11.476 -6.845 6.838 1.00 64.23 H new ATOM 149 N ALA A 11 8.502 -7.505 6.536 1.00 63.23 N ATOM 150 CA ALA A 11 7.387 -7.009 7.334 1.00 4.24 C ATOM 151 C ALA A 11 6.176 -7.941 7.273 1.00 64.33 C ATOM 152 O ALA A 11 5.080 -7.568 7.683 1.00 64.34 O ATOM 153 CB ALA A 11 7.016 -5.603 6.851 1.00 60.43 C ATOM 0 H ALA A 11 8.599 -7.014 5.647 1.00 63.23 H new ATOM 0 HA ALA A 11 7.699 -6.972 8.378 1.00 4.24 H new ATOM 0 HB1 ALA A 11 6.183 -5.223 7.442 1.00 60.43 H new ATOM 0 HB2 ALA A 11 7.874 -4.941 6.966 1.00 60.43 H new ATOM 0 HB3 ALA A 11 6.727 -5.643 5.801 1.00 60.43 H new ATOM 159 N GLY A 12 6.339 -9.144 6.732 1.00 54.22 N ATOM 160 CA GLY A 12 5.278 -10.111 6.551 1.00 61.34 C ATOM 161 C GLY A 12 4.761 -10.147 5.119 1.00 20.32 C ATOM 162 O GLY A 12 3.757 -10.796 4.852 1.00 71.23 O ATOM 0 H GLY A 12 7.244 -9.477 6.399 1.00 54.22 H new ATOM 0 HA2 GLY A 12 5.641 -11.101 6.828 1.00 61.34 H new ATOM 0 HA3 GLY A 12 4.455 -9.873 7.225 1.00 61.34 H new ATOM 166 N LEU A 13 5.385 -9.404 4.203 1.00 15.40 N ATOM 167 CA LEU A 13 4.801 -9.129 2.901 1.00 52.14 C ATOM 168 C LEU A 13 5.351 -10.092 1.835 1.00 62.41 C ATOM 169 O LEU A 13 6.525 -10.460 1.907 1.00 44.32 O ATOM 170 CB LEU A 13 5.034 -7.656 2.546 1.00 4.13 C ATOM 171 CG LEU A 13 4.575 -6.628 3.594 1.00 11.20 C ATOM 172 CD1 LEU A 13 4.932 -5.196 3.177 1.00 52.21 C ATOM 173 CD2 LEU A 13 3.054 -6.716 3.736 1.00 4.00 C ATOM 0 H LEU A 13 6.302 -8.982 4.347 1.00 15.40 H new ATOM 0 HA LEU A 13 3.725 -9.301 2.935 1.00 52.14 H new ATOM 0 HB2 LEU A 13 6.099 -7.511 2.366 1.00 4.13 H new ATOM 0 HB3 LEU A 13 4.520 -7.443 1.608 1.00 4.13 H new ATOM 0 HG LEU A 13 5.080 -6.855 4.533 1.00 11.20 H new ATOM 0 HD11 LEU A 13 4.592 -4.499 3.942 1.00 52.21 H new ATOM 0 HD12 LEU A 13 6.012 -5.109 3.062 1.00 52.21 H new ATOM 0 HD13 LEU A 13 4.446 -4.961 2.230 1.00 52.21 H new ATOM 0 HD21 LEU A 13 2.715 -5.992 4.477 1.00 4.00 H new ATOM 0 HD22 LEU A 13 2.586 -6.499 2.776 1.00 4.00 H new ATOM 0 HD23 LEU A 13 2.776 -7.720 4.057 1.00 4.00 H new ATOM 185 N PRO A 14 4.541 -10.503 0.838 1.00 11.40 N ATOM 186 CA PRO A 14 4.911 -11.464 -0.214 1.00 72.23 C ATOM 187 C PRO A 14 5.955 -10.901 -1.192 1.00 3.12 C ATOM 188 O PRO A 14 6.333 -9.734 -1.095 1.00 63.14 O ATOM 189 CB PRO A 14 3.593 -11.772 -0.941 1.00 13.44 C ATOM 190 CG PRO A 14 2.802 -10.487 -0.762 1.00 35.10 C ATOM 191 CD PRO A 14 3.153 -10.098 0.665 1.00 62.55 C ATOM 0 HA PRO A 14 5.377 -12.351 0.214 1.00 72.23 H new ATOM 0 HB2 PRO A 14 3.756 -12.003 -1.994 1.00 13.44 H new ATOM 0 HB3 PRO A 14 3.079 -12.628 -0.502 1.00 13.44 H new ATOM 0 HG2 PRO A 14 3.099 -9.721 -1.479 1.00 35.10 H new ATOM 0 HG3 PRO A 14 1.731 -10.645 -0.890 1.00 35.10 H new ATOM 0 HD2 PRO A 14 3.033 -9.026 0.822 1.00 62.55 H new ATOM 0 HD3 PRO A 14 2.503 -10.600 1.382 1.00 62.55 H new ATOM 199 N GLN A 15 6.387 -11.675 -2.194 1.00 1.11 N ATOM 200 CA GLN A 15 7.251 -11.160 -3.252 1.00 14.31 C ATOM 201 C GLN A 15 6.435 -10.235 -4.156 1.00 1.22 C ATOM 202 O GLN A 15 6.837 -9.099 -4.416 1.00 63.51 O ATOM 203 CB GLN A 15 7.902 -12.313 -4.045 1.00 33.51 C ATOM 204 CG GLN A 15 8.852 -11.805 -5.152 1.00 75.43 C ATOM 205 CD GLN A 15 10.321 -12.124 -4.888 1.00 23.33 C ATOM 206 OE1 GLN A 15 10.960 -12.816 -5.683 1.00 11.20 O ATOM 207 NE2 GLN A 15 10.892 -11.524 -3.848 1.00 60.44 N ATOM 0 H GLN A 15 6.149 -12.662 -2.291 1.00 1.11 H new ATOM 0 HA GLN A 15 8.066 -10.586 -2.811 1.00 14.31 H new ATOM 0 HB2 GLN A 15 8.457 -12.953 -3.360 1.00 33.51 H new ATOM 0 HB3 GLN A 15 7.122 -12.927 -4.494 1.00 33.51 H new ATOM 0 HG2 GLN A 15 8.558 -12.248 -6.104 1.00 75.43 H new ATOM 0 HG3 GLN A 15 8.735 -10.726 -5.253 1.00 75.43 H new ATOM 0 HE21 GLN A 15 10.328 -10.959 -3.212 1.00 60.44 H new ATOM 0 HE22 GLN A 15 11.894 -11.628 -3.686 1.00 60.44 H new ATOM 216 N LYS A 16 5.321 -10.739 -4.692 1.00 34.42 N ATOM 217 CA LYS A 16 4.683 -10.143 -5.861 1.00 15.31 C ATOM 218 C LYS A 16 4.131 -8.744 -5.602 1.00 74.21 C ATOM 219 O LYS A 16 4.139 -7.925 -6.524 1.00 22.24 O ATOM 220 CB LYS A 16 3.564 -11.072 -6.359 1.00 64.11 C ATOM 221 CG LYS A 16 4.066 -12.125 -7.353 1.00 71.44 C ATOM 222 CD LYS A 16 4.340 -11.505 -8.729 1.00 21.40 C ATOM 223 CE LYS A 16 4.266 -12.554 -9.842 1.00 63.03 C ATOM 224 NZ LYS A 16 3.807 -11.930 -11.097 1.00 4.21 N ATOM 0 H LYS A 16 4.842 -11.564 -4.330 1.00 34.42 H new ATOM 0 HA LYS A 16 5.453 -10.030 -6.624 1.00 15.31 H new ATOM 0 HB2 LYS A 16 3.107 -11.573 -5.506 1.00 64.11 H new ATOM 0 HB3 LYS A 16 2.785 -10.474 -6.832 1.00 64.11 H new ATOM 0 HG2 LYS A 16 4.977 -12.584 -6.970 1.00 71.44 H new ATOM 0 HG3 LYS A 16 3.326 -12.919 -7.450 1.00 71.44 H new ATOM 0 HD2 LYS A 16 3.615 -10.715 -8.924 1.00 21.40 H new ATOM 0 HD3 LYS A 16 5.326 -11.041 -8.730 1.00 21.40 H new ATOM 0 HE2 LYS A 16 5.246 -13.008 -9.990 1.00 63.03 H new ATOM 0 HE3 LYS A 16 3.584 -13.354 -9.554 1.00 63.03 H new ATOM 0 HZ1 LYS A 16 3.760 -12.650 -11.846 1.00 4.21 H new ATOM 0 HZ2 LYS A 16 2.863 -11.517 -10.954 1.00 4.21 H new ATOM 0 HZ3 LYS A 16 4.473 -11.182 -11.377 1.00 4.21 H new ATOM 238 N VAL A 17 3.678 -8.464 -4.380 1.00 72.25 N ATOM 239 CA VAL A 17 3.190 -7.149 -4.001 1.00 61.54 C ATOM 240 C VAL A 17 4.404 -6.230 -3.838 1.00 33.53 C ATOM 241 O VAL A 17 4.465 -5.209 -4.520 1.00 11.23 O ATOM 242 CB VAL A 17 2.295 -7.237 -2.751 1.00 4.01 C ATOM 243 CG1 VAL A 17 1.685 -5.873 -2.434 1.00 4.33 C ATOM 244 CG2 VAL A 17 1.154 -8.249 -2.902 1.00 54.01 C ATOM 0 H VAL A 17 3.641 -9.150 -3.626 1.00 72.25 H new ATOM 0 HA VAL A 17 2.548 -6.724 -4.772 1.00 61.54 H new ATOM 0 HB VAL A 17 2.943 -7.571 -1.941 1.00 4.01 H new ATOM 0 HG11 VAL A 17 1.055 -5.953 -1.548 1.00 4.33 H new ATOM 0 HG12 VAL A 17 2.482 -5.152 -2.249 1.00 4.33 H new ATOM 0 HG13 VAL A 17 1.082 -5.539 -3.278 1.00 4.33 H new ATOM 0 HG21 VAL A 17 0.559 -8.265 -1.989 1.00 54.01 H new ATOM 0 HG22 VAL A 17 0.522 -7.962 -3.742 1.00 54.01 H new ATOM 0 HG23 VAL A 17 1.569 -9.241 -3.082 1.00 54.01 H new ATOM 254 N ALA A 18 5.396 -6.612 -3.012 1.00 44.04 N ATOM 255 CA ALA A 18 6.595 -5.816 -2.712 1.00 51.32 C ATOM 256 C ALA A 18 7.296 -5.333 -3.983 1.00 13.32 C ATOM 257 O ALA A 18 7.807 -4.219 -4.019 1.00 43.05 O ATOM 258 CB ALA A 18 7.613 -6.601 -1.869 1.00 31.50 C ATOM 0 H ALA A 18 5.383 -7.507 -2.523 1.00 44.04 H new ATOM 0 HA ALA A 18 6.239 -4.956 -2.144 1.00 51.32 H new ATOM 0 HB1 ALA A 18 8.482 -5.974 -1.672 1.00 31.50 H new ATOM 0 HB2 ALA A 18 7.155 -6.894 -0.924 1.00 31.50 H new ATOM 0 HB3 ALA A 18 7.925 -7.493 -2.413 1.00 31.50 H new ATOM 264 N GLU A 19 7.297 -6.152 -5.033 1.00 22.22 N ATOM 265 CA GLU A 19 7.870 -5.817 -6.329 1.00 13.02 C ATOM 266 C GLU A 19 7.273 -4.531 -6.924 1.00 4.40 C ATOM 267 O GLU A 19 7.982 -3.774 -7.584 1.00 40.55 O ATOM 268 CB GLU A 19 7.652 -7.024 -7.264 1.00 12.34 C ATOM 269 CG GLU A 19 8.918 -7.853 -7.499 1.00 73.12 C ATOM 270 CD GLU A 19 9.494 -7.524 -8.874 1.00 40.53 C ATOM 271 OE1 GLU A 19 10.248 -6.531 -9.031 1.00 34.11 O ATOM 272 OE2 GLU A 19 9.149 -8.252 -9.831 1.00 51.32 O ATOM 0 H GLU A 19 6.890 -7.087 -5.003 1.00 22.22 H new ATOM 0 HA GLU A 19 8.934 -5.614 -6.210 1.00 13.02 H new ATOM 0 HB2 GLU A 19 6.880 -7.667 -6.840 1.00 12.34 H new ATOM 0 HB3 GLU A 19 7.278 -6.667 -8.224 1.00 12.34 H new ATOM 0 HG2 GLU A 19 9.654 -7.640 -6.724 1.00 73.12 H new ATOM 0 HG3 GLU A 19 8.686 -8.916 -7.435 1.00 73.12 H new ATOM 279 N LYS A 20 5.978 -4.268 -6.729 1.00 41.52 N ATOM 280 CA LYS A 20 5.362 -2.992 -7.111 1.00 22.22 C ATOM 281 C LYS A 20 5.457 -1.991 -5.952 1.00 74.23 C ATOM 282 O LYS A 20 5.576 -0.790 -6.180 1.00 14.43 O ATOM 283 CB LYS A 20 3.887 -3.227 -7.502 1.00 51.12 C ATOM 284 CG LYS A 20 3.616 -3.504 -8.996 1.00 33.22 C ATOM 285 CD LYS A 20 4.048 -4.884 -9.526 1.00 15.52 C ATOM 286 CE LYS A 20 5.530 -5.007 -9.904 1.00 40.51 C ATOM 287 NZ LYS A 20 5.898 -4.322 -11.161 1.00 20.20 N ATOM 0 H LYS A 20 5.328 -4.930 -6.304 1.00 41.52 H new ATOM 0 HA LYS A 20 5.894 -2.577 -7.967 1.00 22.22 H new ATOM 0 HB2 LYS A 20 3.509 -4.069 -6.923 1.00 51.12 H new ATOM 0 HB3 LYS A 20 3.310 -2.351 -7.205 1.00 51.12 H new ATOM 0 HG2 LYS A 20 2.547 -3.388 -9.177 1.00 33.22 H new ATOM 0 HG3 LYS A 20 4.123 -2.738 -9.583 1.00 33.22 H new ATOM 0 HD2 LYS A 20 3.820 -5.634 -8.768 1.00 15.52 H new ATOM 0 HD3 LYS A 20 3.446 -5.123 -10.402 1.00 15.52 H new ATOM 0 HE2 LYS A 20 6.134 -4.601 -9.093 1.00 40.51 H new ATOM 0 HE3 LYS A 20 5.783 -6.063 -9.992 1.00 40.51 H new ATOM 0 HZ1 LYS A 20 6.913 -4.453 -11.344 1.00 20.20 H new ATOM 0 HZ2 LYS A 20 5.350 -4.723 -11.948 1.00 20.20 H new ATOM 0 HZ3 LYS A 20 5.690 -3.307 -11.077 1.00 20.20 H new ATOM 301 N LEU A 21 5.355 -2.463 -4.711 1.00 63.51 N ATOM 302 CA LEU A 21 5.187 -1.635 -3.519 1.00 55.44 C ATOM 303 C LEU A 21 6.467 -0.891 -3.131 1.00 63.33 C ATOM 304 O LEU A 21 6.377 0.170 -2.524 1.00 64.52 O ATOM 305 CB LEU A 21 4.660 -2.544 -2.403 1.00 11.35 C ATOM 306 CG LEU A 21 3.830 -1.803 -1.337 1.00 20.42 C ATOM 307 CD1 LEU A 21 2.543 -2.533 -0.962 1.00 13.05 C ATOM 308 CD2 LEU A 21 4.653 -1.693 -0.077 1.00 4.44 C ATOM 0 H LEU A 21 5.388 -3.461 -4.501 1.00 63.51 H new ATOM 0 HA LEU A 21 4.469 -0.839 -3.715 1.00 55.44 H new ATOM 0 HB2 LEU A 21 4.047 -3.329 -2.846 1.00 11.35 H new ATOM 0 HB3 LEU A 21 5.504 -3.034 -1.917 1.00 11.35 H new ATOM 0 HG LEU A 21 3.567 -0.834 -1.762 1.00 20.42 H new ATOM 0 HD11 LEU A 21 2.006 -1.959 -0.207 1.00 13.05 H new ATOM 0 HD12 LEU A 21 1.917 -2.645 -1.847 1.00 13.05 H new ATOM 0 HD13 LEU A 21 2.786 -3.518 -0.563 1.00 13.05 H new ATOM 0 HD21 LEU A 21 4.079 -1.170 0.688 1.00 4.44 H new ATOM 0 HD22 LEU A 21 4.908 -2.691 0.279 1.00 4.44 H new ATOM 0 HD23 LEU A 21 5.567 -1.138 -0.287 1.00 4.44 H new ATOM 320 N ASP A 22 7.643 -1.397 -3.509 1.00 34.52 N ATOM 321 CA ASP A 22 8.932 -0.733 -3.289 1.00 61.44 C ATOM 322 C ASP A 22 8.937 0.659 -3.914 1.00 12.43 C ATOM 323 O ASP A 22 9.275 1.640 -3.254 1.00 75.51 O ATOM 324 CB ASP A 22 10.037 -1.612 -3.896 1.00 31.14 C ATOM 325 CG ASP A 22 11.382 -0.886 -4.042 1.00 2.32 C ATOM 326 OD1 ASP A 22 11.897 -0.344 -3.050 1.00 4.33 O ATOM 327 OD2 ASP A 22 11.919 -0.904 -5.181 1.00 22.43 O ATOM 0 H ASP A 22 7.729 -2.295 -3.985 1.00 34.52 H new ATOM 0 HA ASP A 22 9.107 -0.607 -2.221 1.00 61.44 H new ATOM 0 HB2 ASP A 22 10.175 -2.494 -3.270 1.00 31.14 H new ATOM 0 HB3 ASP A 22 9.714 -1.964 -4.876 1.00 31.14 H new ATOM 332 N GLU A 23 8.488 0.755 -5.166 1.00 32.51 N ATOM 333 CA GLU A 23 8.511 1.957 -5.995 1.00 40.41 C ATOM 334 C GLU A 23 7.777 3.126 -5.336 1.00 64.44 C ATOM 335 O GLU A 23 8.121 4.287 -5.554 1.00 43.44 O ATOM 336 CB GLU A 23 7.832 1.658 -7.346 1.00 2.54 C ATOM 337 CG GLU A 23 8.803 1.331 -8.487 1.00 52.11 C ATOM 338 CD GLU A 23 8.427 2.148 -9.722 1.00 23.41 C ATOM 339 OE1 GLU A 23 7.468 1.756 -10.430 1.00 24.43 O ATOM 340 OE2 GLU A 23 8.983 3.256 -9.886 1.00 53.54 O ATOM 0 H GLU A 23 8.079 -0.043 -5.652 1.00 32.51 H new ATOM 0 HA GLU A 23 9.555 2.239 -6.131 1.00 40.41 H new ATOM 0 HB2 GLU A 23 7.148 0.819 -7.217 1.00 2.54 H new ATOM 0 HB3 GLU A 23 7.230 2.520 -7.634 1.00 2.54 H new ATOM 0 HG2 GLU A 23 9.826 1.557 -8.185 1.00 52.11 H new ATOM 0 HG3 GLU A 23 8.766 0.266 -8.717 1.00 52.11 H new ATOM 347 N ILE A 24 6.758 2.820 -4.534 1.00 44.02 N ATOM 348 CA ILE A 24 5.920 3.812 -3.872 1.00 23.54 C ATOM 349 C ILE A 24 6.770 4.611 -2.875 1.00 22.35 C ATOM 350 O ILE A 24 6.520 5.797 -2.680 1.00 11.14 O ATOM 351 CB ILE A 24 4.731 3.062 -3.209 1.00 44.34 C ATOM 352 CG1 ILE A 24 3.933 2.268 -4.278 1.00 12.21 C ATOM 353 CG2 ILE A 24 3.789 3.949 -2.383 1.00 24.22 C ATOM 354 CD1 ILE A 24 2.677 1.557 -3.761 1.00 2.11 C ATOM 0 H ILE A 24 6.489 1.859 -4.324 1.00 44.02 H new ATOM 0 HA ILE A 24 5.509 4.537 -4.574 1.00 23.54 H new ATOM 0 HB ILE A 24 5.183 2.378 -2.490 1.00 44.34 H new ATOM 0 HG12 ILE A 24 3.641 2.953 -5.074 1.00 12.21 H new ATOM 0 HG13 ILE A 24 4.594 1.525 -4.724 1.00 12.21 H new ATOM 0 HG21 ILE A 24 2.991 3.338 -1.960 1.00 24.22 H new ATOM 0 HG22 ILE A 24 4.349 4.423 -1.577 1.00 24.22 H new ATOM 0 HG23 ILE A 24 3.357 4.717 -3.025 1.00 24.22 H new ATOM 0 HD11 ILE A 24 2.192 1.032 -4.584 1.00 2.11 H new ATOM 0 HD12 ILE A 24 2.956 0.841 -2.988 1.00 2.11 H new ATOM 0 HD13 ILE A 24 1.989 2.292 -3.343 1.00 2.11 H new ATOM 366 N TYR A 25 7.787 3.990 -2.280 1.00 62.53 N ATOM 367 CA TYR A 25 8.695 4.661 -1.351 1.00 63.52 C ATOM 368 C TYR A 25 9.848 5.363 -2.065 1.00 52.30 C ATOM 369 O TYR A 25 10.427 6.296 -1.508 1.00 53.41 O ATOM 370 CB TYR A 25 9.244 3.653 -0.341 1.00 52.03 C ATOM 371 CG TYR A 25 8.137 3.030 0.467 1.00 61.22 C ATOM 372 CD1 TYR A 25 7.466 3.764 1.463 1.00 15.14 C ATOM 373 CD2 TYR A 25 7.663 1.771 0.079 1.00 11.05 C ATOM 374 CE1 TYR A 25 6.274 3.263 2.022 1.00 13.15 C ATOM 375 CE2 TYR A 25 6.485 1.276 0.641 1.00 11.35 C ATOM 376 CZ TYR A 25 5.762 2.027 1.586 1.00 1.14 C ATOM 377 OH TYR A 25 4.539 1.611 2.007 1.00 21.32 O ATOM 0 H TYR A 25 8.005 3.005 -2.429 1.00 62.53 H new ATOM 0 HA TYR A 25 8.120 5.429 -0.835 1.00 63.52 H new ATOM 0 HB2 TYR A 25 9.797 2.874 -0.866 1.00 52.03 H new ATOM 0 HB3 TYR A 25 9.948 4.150 0.326 1.00 52.03 H new ATOM 0 HD1 TYR A 25 7.865 4.710 1.798 1.00 15.14 H new ATOM 0 HD2 TYR A 25 8.205 1.187 -0.650 1.00 11.05 H new ATOM 0 HE1 TYR A 25 5.754 3.826 2.783 1.00 13.15 H new ATOM 0 HE2 TYR A 25 6.123 0.302 0.346 1.00 11.35 H new ATOM 0 HH TYR A 25 4.252 0.843 1.470 1.00 21.32 H new ATOM 387 N VAL A 26 10.178 4.964 -3.292 1.00 23.25 N ATOM 388 CA VAL A 26 11.302 5.529 -4.026 1.00 60.24 C ATOM 389 C VAL A 26 11.042 7.001 -4.353 1.00 44.03 C ATOM 390 O VAL A 26 11.896 7.842 -4.075 1.00 70.22 O ATOM 391 CB VAL A 26 11.574 4.682 -5.286 1.00 15.33 C ATOM 392 CG1 VAL A 26 12.743 5.222 -6.108 1.00 13.45 C ATOM 393 CG2 VAL A 26 11.920 3.244 -4.897 1.00 62.42 C ATOM 0 H VAL A 26 9.672 4.240 -3.803 1.00 23.25 H new ATOM 0 HA VAL A 26 12.200 5.500 -3.408 1.00 60.24 H new ATOM 0 HB VAL A 26 10.663 4.724 -5.882 1.00 15.33 H new ATOM 0 HG11 VAL A 26 12.894 4.591 -6.984 1.00 13.45 H new ATOM 0 HG12 VAL A 26 12.523 6.241 -6.428 1.00 13.45 H new ATOM 0 HG13 VAL A 26 13.647 5.220 -5.499 1.00 13.45 H new ATOM 0 HG21 VAL A 26 12.109 2.659 -5.797 1.00 62.42 H new ATOM 0 HG22 VAL A 26 12.811 3.241 -4.269 1.00 62.42 H new ATOM 0 HG23 VAL A 26 11.087 2.805 -4.348 1.00 62.42 H new ATOM 403 N ALA A 27 9.881 7.313 -4.937 1.00 14.02 N ATOM 404 CA ALA A 27 9.644 8.568 -5.648 1.00 10.15 C ATOM 405 C ALA A 27 9.445 9.762 -4.706 1.00 31.22 C ATOM 406 O ALA A 27 9.324 10.904 -5.155 1.00 73.44 O ATOM 407 CB ALA A 27 8.412 8.405 -6.546 1.00 21.31 C ATOM 0 H ALA A 27 9.072 6.692 -4.928 1.00 14.02 H new ATOM 0 HA ALA A 27 10.533 8.783 -6.241 1.00 10.15 H new ATOM 0 HB1 ALA A 27 8.226 9.336 -7.081 1.00 21.31 H new ATOM 0 HB2 ALA A 27 8.588 7.603 -7.263 1.00 21.31 H new ATOM 0 HB3 ALA A 27 7.545 8.160 -5.933 1.00 21.31 H new ATOM 413 N GLY A 28 9.360 9.512 -3.401 1.00 21.13 N ATOM 414 CA GLY A 28 8.982 10.504 -2.416 1.00 61.51 C ATOM 415 C GLY A 28 7.473 10.698 -2.337 1.00 12.31 C ATOM 416 O GLY A 28 7.007 11.805 -2.057 1.00 50.30 O ATOM 0 H GLY A 28 9.557 8.596 -2.999 1.00 21.13 H new ATOM 0 HA2 GLY A 28 9.359 10.203 -1.438 1.00 61.51 H new ATOM 0 HA3 GLY A 28 9.456 11.455 -2.661 1.00 61.51 H new ATOM 420 N LEU A 29 6.693 9.653 -2.630 1.00 65.50 N ATOM 421 CA LEU A 29 5.246 9.682 -2.457 1.00 2.23 C ATOM 422 C LEU A 29 4.910 9.536 -0.979 1.00 25.52 C ATOM 423 O LEU A 29 4.033 10.243 -0.486 1.00 53.30 O ATOM 424 CB LEU A 29 4.551 8.571 -3.255 1.00 13.13 C ATOM 425 CG LEU A 29 4.748 8.719 -4.779 1.00 2.43 C ATOM 426 CD1 LEU A 29 5.287 7.411 -5.370 1.00 72.14 C ATOM 427 CD2 LEU A 29 3.434 9.117 -5.456 1.00 73.12 C ATOM 0 H LEU A 29 7.050 8.769 -2.992 1.00 65.50 H new ATOM 0 HA LEU A 29 4.883 10.638 -2.835 1.00 2.23 H new ATOM 0 HB2 LEU A 29 4.938 7.603 -2.935 1.00 13.13 H new ATOM 0 HB3 LEU A 29 3.485 8.579 -3.028 1.00 13.13 H new ATOM 0 HG LEU A 29 5.476 9.509 -4.962 1.00 2.43 H new ATOM 0 HD11 LEU A 29 5.422 7.526 -6.445 1.00 72.14 H new ATOM 0 HD12 LEU A 29 6.244 7.170 -4.908 1.00 72.14 H new ATOM 0 HD13 LEU A 29 4.578 6.606 -5.178 1.00 72.14 H new ATOM 0 HD21 LEU A 29 3.593 9.216 -6.530 1.00 73.12 H new ATOM 0 HD22 LEU A 29 2.682 8.350 -5.270 1.00 73.12 H new ATOM 0 HD23 LEU A 29 3.090 10.068 -5.051 1.00 73.12 H new ATOM 439 N VAL A 30 5.558 8.603 -0.271 1.00 43.21 N ATOM 440 CA VAL A 30 5.271 8.357 1.138 1.00 54.03 C ATOM 441 C VAL A 30 6.546 7.979 1.899 1.00 2.04 C ATOM 442 O VAL A 30 7.416 7.293 1.355 1.00 20.53 O ATOM 443 CB VAL A 30 4.188 7.256 1.269 1.00 43.00 C ATOM 444 CG1 VAL A 30 2.926 7.454 0.427 1.00 73.34 C ATOM 445 CG2 VAL A 30 4.697 5.889 0.821 1.00 61.23 C ATOM 0 H VAL A 30 6.288 8.005 -0.658 1.00 43.21 H new ATOM 0 HA VAL A 30 4.887 9.274 1.585 1.00 54.03 H new ATOM 0 HB VAL A 30 3.951 7.320 2.331 1.00 43.00 H new ATOM 0 HG11 VAL A 30 2.240 6.624 0.599 1.00 73.34 H new ATOM 0 HG12 VAL A 30 2.443 8.389 0.710 1.00 73.34 H new ATOM 0 HG13 VAL A 30 3.195 7.490 -0.629 1.00 73.34 H new ATOM 0 HG21 VAL A 30 3.903 5.151 0.931 1.00 61.23 H new ATOM 0 HG22 VAL A 30 5.003 5.939 -0.224 1.00 61.23 H new ATOM 0 HG23 VAL A 30 5.550 5.599 1.435 1.00 61.23 H new ATOM 455 N ALA A 31 6.623 8.319 3.185 1.00 23.25 N ATOM 456 CA ALA A 31 7.561 7.670 4.090 1.00 4.42 C ATOM 457 C ALA A 31 7.016 6.290 4.452 1.00 13.23 C ATOM 458 O ALA A 31 5.806 6.130 4.630 1.00 63.30 O ATOM 459 CB ALA A 31 7.721 8.509 5.357 1.00 74.14 C ATOM 0 H ALA A 31 6.047 9.039 3.620 1.00 23.25 H new ATOM 0 HA ALA A 31 8.533 7.571 3.608 1.00 4.42 H new ATOM 0 HB1 ALA A 31 8.424 8.019 6.031 1.00 74.14 H new ATOM 0 HB2 ALA A 31 8.099 9.497 5.094 1.00 74.14 H new ATOM 0 HB3 ALA A 31 6.755 8.610 5.851 1.00 74.14 H new ATOM 465 N HIS A 32 7.897 5.312 4.670 1.00 74.43 N ATOM 466 CA HIS A 32 7.487 4.015 5.203 1.00 71.42 C ATOM 467 C HIS A 32 6.895 4.184 6.608 1.00 71.34 C ATOM 468 O HIS A 32 5.816 3.666 6.891 1.00 11.04 O ATOM 469 CB HIS A 32 8.639 3.005 5.122 1.00 72.43 C ATOM 470 CG HIS A 32 9.808 3.289 6.026 1.00 24.32 C ATOM 471 ND1 HIS A 32 9.979 2.784 7.298 1.00 62.34 N ATOM 472 CD2 HIS A 32 10.901 4.059 5.725 1.00 12.25 C ATOM 473 CE1 HIS A 32 11.153 3.245 7.757 1.00 1.15 C ATOM 474 NE2 HIS A 32 11.743 4.033 6.839 1.00 15.24 N ATOM 0 H HIS A 32 8.897 5.395 4.486 1.00 74.43 H new ATOM 0 HA HIS A 32 6.690 3.596 4.588 1.00 71.42 H new ATOM 0 HB2 HIS A 32 8.250 2.015 5.359 1.00 72.43 H new ATOM 0 HB3 HIS A 32 8.997 2.969 4.093 1.00 72.43 H new ATOM 0 HD2 HIS A 32 11.078 4.587 4.800 1.00 12.25 H new ATOM 0 HE1 HIS A 32 11.567 3.016 8.728 1.00 1.15 H new ATOM 0 HE2 HIS A 32 12.635 4.518 6.938 1.00 15.24 H new ATOM 482 N SER A 33 7.529 4.994 7.457 1.00 40.41 N ATOM 483 CA SER A 33 6.997 5.371 8.763 1.00 74.50 C ATOM 484 C SER A 33 5.942 6.487 8.685 1.00 11.42 C ATOM 485 O SER A 33 5.720 7.173 9.683 1.00 51.34 O ATOM 486 CB SER A 33 8.136 5.706 9.714 1.00 75.33 C ATOM 487 OG SER A 33 9.032 4.612 9.817 1.00 3.45 O ATOM 0 H SER A 33 8.437 5.411 7.253 1.00 40.41 H new ATOM 0 HA SER A 33 6.462 4.510 9.164 1.00 74.50 H new ATOM 0 HB2 SER A 33 8.668 6.588 9.358 1.00 75.33 H new ATOM 0 HB3 SER A 33 7.736 5.951 10.698 1.00 75.33 H new ATOM 0 HG SER A 33 9.760 4.842 10.431 1.00 3.45 H new ATOM 493 N ASP A 34 5.312 6.743 7.530 1.00 63.51 N ATOM 494 CA ASP A 34 4.014 7.419 7.565 1.00 44.34 C ATOM 495 C ASP A 34 2.955 6.421 8.002 1.00 1.12 C ATOM 496 O ASP A 34 2.077 6.763 8.786 1.00 75.22 O ATOM 497 CB ASP A 34 3.598 8.002 6.209 1.00 15.05 C ATOM 498 CG ASP A 34 2.642 9.180 6.428 1.00 44.04 C ATOM 499 OD1 ASP A 34 1.444 8.999 6.702 1.00 21.35 O ATOM 500 OD2 ASP A 34 3.127 10.333 6.254 1.00 64.20 O ATOM 0 H ASP A 34 5.661 6.504 6.602 1.00 63.51 H new ATOM 0 HA ASP A 34 4.106 8.251 8.264 1.00 44.34 H new ATOM 0 HB2 ASP A 34 4.479 8.333 5.658 1.00 15.05 H new ATOM 0 HB3 ASP A 34 3.114 7.235 5.605 1.00 15.05 H new ATOM 505 N LEU A 35 3.024 5.194 7.469 1.00 21.41 N ATOM 506 CA LEU A 35 2.001 4.184 7.641 1.00 41.02 C ATOM 507 C LEU A 35 1.869 3.823 9.105 1.00 43.12 C ATOM 508 O LEU A 35 2.868 3.582 9.786 1.00 21.54 O ATOM 509 CB LEU A 35 2.308 2.936 6.809 1.00 42.10 C ATOM 510 CG LEU A 35 2.170 3.100 5.287 1.00 53.44 C ATOM 511 CD1 LEU A 35 0.953 3.925 4.852 1.00 71.34 C ATOM 512 CD2 LEU A 35 3.416 3.654 4.594 1.00 2.45 C ATOM 0 H LEU A 35 3.810 4.882 6.899 1.00 21.41 H new ATOM 0 HA LEU A 35 1.055 4.595 7.289 1.00 41.02 H new ATOM 0 HB2 LEU A 35 3.326 2.615 7.031 1.00 42.10 H new ATOM 0 HB3 LEU A 35 1.644 2.134 7.131 1.00 42.10 H new ATOM 0 HG LEU A 35 2.026 2.071 4.958 1.00 53.44 H new ATOM 0 HD11 LEU A 35 0.929 3.993 3.764 1.00 71.34 H new ATOM 0 HD12 LEU A 35 0.042 3.443 5.206 1.00 71.34 H new ATOM 0 HD13 LEU A 35 1.022 4.927 5.276 1.00 71.34 H new ATOM 0 HD21 LEU A 35 3.230 3.737 3.523 1.00 2.45 H new ATOM 0 HD22 LEU A 35 3.650 4.639 4.999 1.00 2.45 H new ATOM 0 HD23 LEU A 35 4.257 2.982 4.765 1.00 2.45 H new ATOM 524 N ASP A 36 0.629 3.810 9.573 1.00 64.34 N ATOM 525 CA ASP A 36 0.241 3.288 10.868 1.00 14.12 C ATOM 526 C ASP A 36 -0.123 1.817 10.740 1.00 74.40 C ATOM 527 O ASP A 36 -0.275 1.268 9.642 1.00 2.31 O ATOM 528 CB ASP A 36 -0.960 4.058 11.424 1.00 64.12 C ATOM 529 CG ASP A 36 -2.245 3.856 10.623 1.00 55.22 C ATOM 530 OD1 ASP A 36 -2.212 3.851 9.372 1.00 51.24 O ATOM 531 OD2 ASP A 36 -3.320 3.781 11.259 1.00 34.55 O ATOM 0 H ASP A 36 -0.159 4.176 9.040 1.00 64.34 H new ATOM 0 HA ASP A 36 1.082 3.404 11.552 1.00 14.12 H new ATOM 0 HB2 ASP A 36 -1.133 3.749 12.455 1.00 64.12 H new ATOM 0 HB3 ASP A 36 -0.720 5.121 11.446 1.00 64.12 H new ATOM 536 N GLU A 37 -0.294 1.189 11.899 1.00 75.31 N ATOM 537 CA GLU A 37 -0.519 -0.237 12.049 1.00 23.31 C ATOM 538 C GLU A 37 -1.729 -0.721 11.249 1.00 33.25 C ATOM 539 O GLU A 37 -1.745 -1.861 10.785 1.00 13.43 O ATOM 540 CB GLU A 37 -0.694 -0.500 13.543 1.00 43.31 C ATOM 541 CG GLU A 37 -0.838 -1.983 13.881 1.00 12.14 C ATOM 542 CD GLU A 37 -0.599 -2.170 15.372 1.00 32.41 C ATOM 543 OE1 GLU A 37 -1.471 -1.697 16.151 1.00 32.34 O ATOM 544 OE2 GLU A 37 0.452 -2.734 15.730 1.00 32.53 O ATOM 0 H GLU A 37 -0.278 1.682 12.792 1.00 75.31 H new ATOM 0 HA GLU A 37 0.329 -0.795 11.652 1.00 23.31 H new ATOM 0 HB2 GLU A 37 0.163 -0.093 14.080 1.00 43.31 H new ATOM 0 HB3 GLU A 37 -1.575 0.034 13.898 1.00 43.31 H new ATOM 0 HG2 GLU A 37 -1.833 -2.337 13.611 1.00 12.14 H new ATOM 0 HG3 GLU A 37 -0.123 -2.572 13.307 1.00 12.14 H new ATOM 551 N ARG A 38 -2.737 0.139 11.065 1.00 31.44 N ATOM 552 CA ARG A 38 -3.948 -0.191 10.320 1.00 41.43 C ATOM 553 C ARG A 38 -3.615 -0.581 8.885 1.00 63.41 C ATOM 554 O ARG A 38 -4.258 -1.480 8.335 1.00 1.12 O ATOM 555 CB ARG A 38 -4.932 0.982 10.366 1.00 51.20 C ATOM 556 CG ARG A 38 -5.412 1.267 11.801 1.00 13.14 C ATOM 557 CD ARG A 38 -6.775 0.654 12.135 1.00 44.03 C ATOM 558 NE ARG A 38 -6.791 -0.810 12.016 1.00 44.44 N ATOM 559 CZ ARG A 38 -7.836 -1.578 11.695 1.00 23.41 C ATOM 560 NH1 ARG A 38 -9.043 -1.039 11.538 1.00 43.12 N ATOM 561 NH2 ARG A 38 -7.627 -2.879 11.518 1.00 41.41 N ATOM 0 H ARG A 38 -2.731 1.090 11.434 1.00 31.44 H new ATOM 0 HA ARG A 38 -4.423 -1.052 10.790 1.00 41.43 H new ATOM 0 HB2 ARG A 38 -4.455 1.873 9.958 1.00 51.20 H new ATOM 0 HB3 ARG A 38 -5.791 0.762 9.732 1.00 51.20 H new ATOM 0 HG2 ARG A 38 -4.671 0.885 12.504 1.00 13.14 H new ATOM 0 HG3 ARG A 38 -5.464 2.346 11.948 1.00 13.14 H new ATOM 0 HD2 ARG A 38 -7.054 0.933 13.151 1.00 44.03 H new ATOM 0 HD3 ARG A 38 -7.529 1.075 11.470 1.00 44.03 H new ATOM 0 HE ARG A 38 -5.910 -1.292 12.198 1.00 44.44 H new ATOM 0 HH11 ARG A 38 -9.173 -0.035 11.663 1.00 43.12 H new ATOM 0 HH12 ARG A 38 -9.837 -1.630 11.293 1.00 43.12 H new ATOM 0 HH21 ARG A 38 -6.689 -3.264 11.628 1.00 41.41 H new ATOM 0 HH22 ARG A 38 -8.405 -3.492 11.272 1.00 41.41 H new ATOM 575 N ALA A 39 -2.629 0.086 8.283 1.00 24.45 N ATOM 576 CA ALA A 39 -2.171 -0.199 6.932 1.00 42.41 C ATOM 577 C ALA A 39 -1.293 -1.453 6.900 1.00 22.23 C ATOM 578 O ALA A 39 -1.443 -2.282 6.001 1.00 35.41 O ATOM 579 CB ALA A 39 -1.396 1.009 6.389 1.00 32.32 C ATOM 0 H ALA A 39 -2.122 0.849 8.731 1.00 24.45 H new ATOM 0 HA ALA A 39 -3.040 -0.386 6.301 1.00 42.41 H new ATOM 0 HB1 ALA A 39 -1.053 0.796 5.377 1.00 32.32 H new ATOM 0 HB2 ALA A 39 -2.047 1.883 6.375 1.00 32.32 H new ATOM 0 HB3 ALA A 39 -0.537 1.208 7.029 1.00 32.32 H new ATOM 585 N ILE A 40 -0.371 -1.584 7.864 1.00 43.43 N ATOM 586 CA ILE A 40 0.561 -2.715 7.951 1.00 71.33 C ATOM 587 C ILE A 40 -0.236 -4.016 8.056 1.00 64.35 C ATOM 588 O ILE A 40 0.022 -4.955 7.297 1.00 51.32 O ATOM 589 CB ILE A 40 1.510 -2.539 9.162 1.00 33.52 C ATOM 590 CG1 ILE A 40 2.213 -1.170 9.213 1.00 3.12 C ATOM 591 CG2 ILE A 40 2.565 -3.654 9.231 1.00 72.54 C ATOM 592 CD1 ILE A 40 2.986 -0.756 7.958 1.00 4.03 C ATOM 0 H ILE A 40 -0.251 -0.901 8.612 1.00 43.43 H new ATOM 0 HA ILE A 40 1.177 -2.753 7.053 1.00 71.33 H new ATOM 0 HB ILE A 40 0.855 -2.600 10.031 1.00 33.52 H new ATOM 0 HG12 ILE A 40 1.462 -0.407 9.419 1.00 3.12 H new ATOM 0 HG13 ILE A 40 2.905 -1.172 10.055 1.00 3.12 H new ATOM 0 HG21 ILE A 40 3.210 -3.492 10.095 1.00 72.54 H new ATOM 0 HG22 ILE A 40 2.068 -4.620 9.325 1.00 72.54 H new ATOM 0 HG23 ILE A 40 3.167 -3.642 8.322 1.00 72.54 H new ATOM 0 HD11 ILE A 40 3.436 0.224 8.115 1.00 4.03 H new ATOM 0 HD12 ILE A 40 3.769 -1.487 7.755 1.00 4.03 H new ATOM 0 HD13 ILE A 40 2.304 -0.710 7.109 1.00 4.03 H new ATOM 604 N GLU A 41 -1.210 -4.041 8.966 1.00 55.15 N ATOM 605 CA GLU A 41 -2.102 -5.161 9.205 1.00 11.04 C ATOM 606 C GLU A 41 -2.802 -5.546 7.911 1.00 31.13 C ATOM 607 O GLU A 41 -2.683 -6.690 7.474 1.00 61.23 O ATOM 608 CB GLU A 41 -3.095 -4.733 10.305 1.00 0.03 C ATOM 609 CG GLU A 41 -4.278 -5.681 10.537 1.00 60.34 C ATOM 610 CD GLU A 41 -3.876 -7.103 10.932 1.00 3.21 C ATOM 611 OE1 GLU A 41 -2.698 -7.367 11.257 1.00 20.33 O ATOM 612 OE2 GLU A 41 -4.787 -7.972 10.925 1.00 34.52 O ATOM 0 H GLU A 41 -1.401 -3.247 9.577 1.00 55.15 H new ATOM 0 HA GLU A 41 -1.559 -6.044 9.541 1.00 11.04 H new ATOM 0 HB2 GLU A 41 -2.548 -4.628 11.242 1.00 0.03 H new ATOM 0 HB3 GLU A 41 -3.487 -3.748 10.052 1.00 0.03 H new ATOM 0 HG2 GLU A 41 -4.914 -5.265 11.319 1.00 60.34 H new ATOM 0 HG3 GLU A 41 -4.878 -5.725 9.628 1.00 60.34 H new ATOM 619 N ALA A 42 -3.499 -4.585 7.297 1.00 32.21 N ATOM 620 CA ALA A 42 -4.313 -4.809 6.116 1.00 61.54 C ATOM 621 C ALA A 42 -3.489 -5.354 4.957 1.00 33.31 C ATOM 622 O ALA A 42 -3.981 -6.189 4.207 1.00 55.31 O ATOM 623 CB ALA A 42 -4.976 -3.496 5.704 1.00 51.14 C ATOM 0 H ALA A 42 -3.508 -3.617 7.618 1.00 32.21 H new ATOM 0 HA ALA A 42 -5.070 -5.553 6.362 1.00 61.54 H new ATOM 0 HB1 ALA A 42 -5.588 -3.660 4.817 1.00 51.14 H new ATOM 0 HB2 ALA A 42 -5.605 -3.135 6.518 1.00 51.14 H new ATOM 0 HB3 ALA A 42 -4.208 -2.755 5.483 1.00 51.14 H new ATOM 629 N LEU A 43 -2.243 -4.905 4.802 1.00 2.24 N ATOM 630 CA LEU A 43 -1.383 -5.325 3.709 1.00 53.11 C ATOM 631 C LEU A 43 -1.169 -6.835 3.665 1.00 60.15 C ATOM 632 O LEU A 43 -1.137 -7.403 2.571 1.00 12.43 O ATOM 633 CB LEU A 43 -0.045 -4.575 3.769 1.00 71.44 C ATOM 634 CG LEU A 43 0.060 -3.474 2.706 1.00 31.24 C ATOM 635 CD1 LEU A 43 1.395 -2.745 2.874 1.00 42.03 C ATOM 636 CD2 LEU A 43 -0.066 -3.949 1.245 1.00 74.44 C ATOM 0 H LEU A 43 -1.806 -4.237 5.437 1.00 2.24 H new ATOM 0 HA LEU A 43 -1.894 -5.067 2.781 1.00 53.11 H new ATOM 0 HB2 LEU A 43 0.076 -4.133 4.758 1.00 71.44 H new ATOM 0 HB3 LEU A 43 0.772 -5.284 3.635 1.00 71.44 H new ATOM 0 HG LEU A 43 -0.797 -2.822 2.878 1.00 31.24 H new ATOM 0 HD11 LEU A 43 1.478 -1.960 2.122 1.00 42.03 H new ATOM 0 HD12 LEU A 43 1.445 -2.301 3.868 1.00 42.03 H new ATOM 0 HD13 LEU A 43 2.214 -3.453 2.751 1.00 42.03 H new ATOM 0 HD21 LEU A 43 0.022 -3.093 0.575 1.00 74.44 H new ATOM 0 HD22 LEU A 43 0.726 -4.665 1.026 1.00 74.44 H new ATOM 0 HD23 LEU A 43 -1.036 -4.425 1.100 1.00 74.44 H new ATOM 648 N LYS A 44 -1.041 -7.496 4.819 1.00 0.30 N ATOM 649 CA LYS A 44 -0.956 -8.957 4.866 1.00 15.12 C ATOM 650 C LYS A 44 -2.255 -9.611 4.384 1.00 32.21 C ATOM 651 O LYS A 44 -2.206 -10.690 3.799 1.00 41.01 O ATOM 652 CB LYS A 44 -0.611 -9.437 6.295 1.00 63.44 C ATOM 653 CG LYS A 44 0.847 -9.934 6.430 1.00 55.35 C ATOM 654 CD LYS A 44 1.795 -8.906 7.065 1.00 63.24 C ATOM 655 CE LYS A 44 1.989 -9.107 8.577 1.00 2.11 C ATOM 656 NZ LYS A 44 2.826 -8.040 9.175 1.00 15.03 N ATOM 0 H LYS A 44 -0.994 -7.043 5.732 1.00 0.30 H new ATOM 0 HA LYS A 44 -0.157 -9.262 4.190 1.00 15.12 H new ATOM 0 HB2 LYS A 44 -0.777 -8.620 6.997 1.00 63.44 H new ATOM 0 HB3 LYS A 44 -1.291 -10.241 6.576 1.00 63.44 H new ATOM 0 HG2 LYS A 44 0.857 -10.843 7.031 1.00 55.35 H new ATOM 0 HG3 LYS A 44 1.223 -10.200 5.442 1.00 55.35 H new ATOM 0 HD2 LYS A 44 2.765 -8.963 6.571 1.00 63.24 H new ATOM 0 HD3 LYS A 44 1.405 -7.904 6.886 1.00 63.24 H new ATOM 0 HE2 LYS A 44 1.016 -9.123 9.069 1.00 2.11 H new ATOM 0 HE3 LYS A 44 2.454 -10.076 8.757 1.00 2.11 H new ATOM 0 HZ1 LYS A 44 3.199 -8.363 10.090 1.00 15.03 H new ATOM 0 HZ2 LYS A 44 3.617 -7.821 8.537 1.00 15.03 H new ATOM 0 HZ3 LYS A 44 2.250 -7.186 9.318 1.00 15.03 H new ATOM 670 N GLU A 45 -3.411 -8.987 4.623 1.00 22.12 N ATOM 671 CA GLU A 45 -4.708 -9.607 4.373 1.00 51.14 C ATOM 672 C GLU A 45 -5.053 -9.694 2.882 1.00 4.12 C ATOM 673 O GLU A 45 -5.965 -10.435 2.516 1.00 51.43 O ATOM 674 CB GLU A 45 -5.825 -8.868 5.128 1.00 34.41 C ATOM 675 CG GLU A 45 -5.562 -8.711 6.630 1.00 63.41 C ATOM 676 CD GLU A 45 -6.822 -8.289 7.374 1.00 15.32 C ATOM 677 OE1 GLU A 45 -7.635 -9.158 7.771 1.00 24.14 O ATOM 678 OE2 GLU A 45 -7.034 -7.082 7.624 1.00 3.00 O ATOM 0 H GLU A 45 -3.471 -8.039 4.995 1.00 22.12 H new ATOM 0 HA GLU A 45 -4.633 -10.628 4.746 1.00 51.14 H new ATOM 0 HB2 GLU A 45 -5.956 -7.880 4.687 1.00 34.41 H new ATOM 0 HB3 GLU A 45 -6.762 -9.406 4.988 1.00 34.41 H new ATOM 0 HG2 GLU A 45 -5.196 -9.653 7.037 1.00 63.41 H new ATOM 0 HG3 GLU A 45 -4.779 -7.970 6.788 1.00 63.41 H new ATOM 685 N PHE A 46 -4.360 -8.959 2.013 1.00 21.20 N ATOM 686 CA PHE A 46 -4.658 -8.912 0.596 1.00 24.11 C ATOM 687 C PHE A 46 -3.899 -10.004 -0.145 1.00 55.15 C ATOM 688 O PHE A 46 -2.690 -10.180 0.025 1.00 42.14 O ATOM 689 CB PHE A 46 -4.312 -7.539 0.026 1.00 1.10 C ATOM 690 CG PHE A 46 -5.230 -6.433 0.494 1.00 63.52 C ATOM 691 CD1 PHE A 46 -6.584 -6.448 0.119 1.00 15.11 C ATOM 692 CD2 PHE A 46 -4.743 -5.401 1.313 1.00 51.35 C ATOM 693 CE1 PHE A 46 -7.455 -5.454 0.589 1.00 75.32 C ATOM 694 CE2 PHE A 46 -5.612 -4.404 1.785 1.00 51.31 C ATOM 695 CZ PHE A 46 -6.973 -4.440 1.431 1.00 1.24 C ATOM 0 H PHE A 46 -3.568 -8.376 2.284 1.00 21.20 H new ATOM 0 HA PHE A 46 -5.726 -9.084 0.461 1.00 24.11 H new ATOM 0 HB2 PHE A 46 -3.288 -7.289 0.303 1.00 1.10 H new ATOM 0 HB3 PHE A 46 -4.345 -7.589 -1.062 1.00 1.10 H new ATOM 0 HD1 PHE A 46 -6.955 -7.226 -0.532 1.00 15.11 H new ATOM 0 HD2 PHE A 46 -3.697 -5.374 1.581 1.00 51.35 H new ATOM 0 HE1 PHE A 46 -8.496 -5.469 0.303 1.00 75.32 H new ATOM 0 HE2 PHE A 46 -5.237 -3.613 2.417 1.00 51.31 H new ATOM 0 HZ PHE A 46 -7.648 -3.686 1.808 1.00 1.24 H new ATOM 705 N ASN A 47 -4.641 -10.703 -0.996 1.00 64.45 N ATOM 706 CA ASN A 47 -4.116 -11.597 -2.021 1.00 73.52 C ATOM 707 C ASN A 47 -3.321 -10.841 -3.075 1.00 41.12 C ATOM 708 O ASN A 47 -3.288 -9.615 -3.102 1.00 31.31 O ATOM 709 CB ASN A 47 -5.249 -12.342 -2.737 1.00 52.44 C ATOM 710 CG ASN A 47 -6.151 -11.436 -3.559 1.00 54.03 C ATOM 711 OD1 ASN A 47 -6.815 -10.561 -3.016 1.00 32.11 O ATOM 712 ND2 ASN A 47 -6.183 -11.614 -4.868 1.00 0.30 N ATOM 0 H ASN A 47 -5.660 -10.661 -0.991 1.00 64.45 H new ATOM 0 HA ASN A 47 -3.465 -12.302 -1.505 1.00 73.52 H new ATOM 0 HB2 ASN A 47 -4.818 -13.100 -3.390 1.00 52.44 H new ATOM 0 HB3 ASN A 47 -5.853 -12.866 -1.996 1.00 52.44 H new ATOM 0 HD21 ASN A 47 -6.770 -11.016 -5.450 1.00 0.30 H new ATOM 0 HD22 ASN A 47 -5.621 -12.349 -5.297 1.00 0.30 H new ATOM 719 N GLU A 48 -2.731 -11.607 -3.988 1.00 60.41 N ATOM 720 CA GLU A 48 -1.868 -11.171 -5.059 1.00 74.52 C ATOM 721 C GLU A 48 -2.472 -9.994 -5.833 1.00 22.30 C ATOM 722 O GLU A 48 -1.892 -8.908 -5.842 1.00 60.41 O ATOM 723 CB GLU A 48 -1.624 -12.394 -5.954 1.00 1.43 C ATOM 724 CG GLU A 48 -0.385 -12.184 -6.809 1.00 31.03 C ATOM 725 CD GLU A 48 -0.400 -13.049 -8.067 1.00 31.21 C ATOM 726 OE1 GLU A 48 -0.432 -14.302 -7.952 1.00 42.42 O ATOM 727 OE2 GLU A 48 -0.541 -12.502 -9.182 1.00 60.05 O ATOM 0 H GLU A 48 -2.858 -12.619 -3.991 1.00 60.41 H new ATOM 0 HA GLU A 48 -0.923 -10.796 -4.667 1.00 74.52 H new ATOM 0 HB2 GLU A 48 -1.502 -13.285 -5.338 1.00 1.43 H new ATOM 0 HB3 GLU A 48 -2.490 -12.564 -6.593 1.00 1.43 H new ATOM 0 HG2 GLU A 48 -0.315 -11.134 -7.093 1.00 31.03 H new ATOM 0 HG3 GLU A 48 0.503 -12.415 -6.221 1.00 31.03 H new ATOM 734 N ASP A 49 -3.610 -10.218 -6.497 1.00 12.14 N ATOM 735 CA ASP A 49 -4.244 -9.211 -7.344 1.00 22.22 C ATOM 736 C ASP A 49 -4.965 -8.167 -6.500 1.00 13.14 C ATOM 737 O ASP A 49 -4.910 -6.982 -6.823 1.00 15.11 O ATOM 738 CB ASP A 49 -5.223 -9.860 -8.322 1.00 52.43 C ATOM 739 CG ASP A 49 -5.793 -8.828 -9.297 1.00 60.25 C ATOM 740 OD1 ASP A 49 -4.989 -8.253 -10.070 1.00 42.21 O ATOM 741 OD2 ASP A 49 -7.025 -8.622 -9.313 1.00 3.33 O ATOM 0 H ASP A 49 -4.115 -11.103 -6.461 1.00 12.14 H new ATOM 0 HA ASP A 49 -3.459 -8.715 -7.915 1.00 22.22 H new ATOM 0 HB2 ASP A 49 -4.717 -10.649 -8.878 1.00 52.43 H new ATOM 0 HB3 ASP A 49 -6.036 -10.330 -7.769 1.00 52.43 H new ATOM 746 N GLY A 50 -5.584 -8.574 -5.383 1.00 31.12 N ATOM 747 CA GLY A 50 -6.336 -7.652 -4.548 1.00 20.11 C ATOM 748 C GLY A 50 -5.428 -6.582 -3.953 1.00 15.20 C ATOM 749 O GLY A 50 -5.845 -5.429 -3.845 1.00 34.23 O ATOM 0 H GLY A 50 -5.574 -9.536 -5.045 1.00 31.12 H new ATOM 0 HA2 GLY A 50 -7.121 -7.179 -5.139 1.00 20.11 H new ATOM 0 HA3 GLY A 50 -6.828 -8.202 -3.746 1.00 20.11 H new ATOM 753 N ALA A 51 -4.193 -6.945 -3.597 1.00 12.30 N ATOM 754 CA ALA A 51 -3.179 -6.024 -3.118 1.00 42.12 C ATOM 755 C ALA A 51 -2.766 -5.078 -4.239 1.00 23.23 C ATOM 756 O ALA A 51 -2.727 -3.873 -4.026 1.00 53.02 O ATOM 757 CB ALA A 51 -1.958 -6.804 -2.629 1.00 20.43 C ATOM 0 H ALA A 51 -3.871 -7.912 -3.638 1.00 12.30 H new ATOM 0 HA ALA A 51 -3.590 -5.444 -2.292 1.00 42.12 H new ATOM 0 HB1 ALA A 51 -1.200 -6.107 -2.271 1.00 20.43 H new ATOM 0 HB2 ALA A 51 -2.252 -7.469 -1.817 1.00 20.43 H new ATOM 0 HB3 ALA A 51 -1.550 -7.393 -3.450 1.00 20.43 H new ATOM 763 N LEU A 52 -2.423 -5.607 -5.418 1.00 33.24 N ATOM 764 CA LEU A 52 -1.963 -4.788 -6.539 1.00 3.31 C ATOM 765 C LEU A 52 -3.023 -3.752 -6.908 1.00 32.34 C ATOM 766 O LEU A 52 -2.678 -2.602 -7.164 1.00 61.13 O ATOM 767 CB LEU A 52 -1.619 -5.669 -7.747 1.00 23.40 C ATOM 768 CG LEU A 52 -0.355 -6.522 -7.535 1.00 75.25 C ATOM 769 CD1 LEU A 52 -0.322 -7.673 -8.549 1.00 12.31 C ATOM 770 CD2 LEU A 52 0.932 -5.700 -7.641 1.00 12.23 C ATOM 0 H LEU A 52 -2.457 -6.606 -5.619 1.00 33.24 H new ATOM 0 HA LEU A 52 -1.058 -4.262 -6.236 1.00 3.31 H new ATOM 0 HB2 LEU A 52 -2.462 -6.327 -7.961 1.00 23.40 H new ATOM 0 HB3 LEU A 52 -1.479 -5.035 -8.623 1.00 23.40 H new ATOM 0 HG LEU A 52 -0.403 -6.920 -6.521 1.00 75.25 H new ATOM 0 HD11 LEU A 52 0.576 -8.271 -8.392 1.00 12.31 H new ATOM 0 HD12 LEU A 52 -1.204 -8.300 -8.416 1.00 12.31 H new ATOM 0 HD13 LEU A 52 -0.314 -7.267 -9.560 1.00 12.31 H new ATOM 0 HD21 LEU A 52 1.793 -6.350 -7.483 1.00 12.23 H new ATOM 0 HD22 LEU A 52 0.995 -5.248 -8.631 1.00 12.23 H new ATOM 0 HD23 LEU A 52 0.926 -4.916 -6.884 1.00 12.23 H new ATOM 782 N ALA A 53 -4.305 -4.122 -6.870 1.00 24.33 N ATOM 783 CA ALA A 53 -5.407 -3.209 -7.126 1.00 35.23 C ATOM 784 C ALA A 53 -5.407 -2.026 -6.144 1.00 34.15 C ATOM 785 O ALA A 53 -5.552 -0.881 -6.576 1.00 32.04 O ATOM 786 CB ALA A 53 -6.718 -3.992 -7.078 1.00 32.22 C ATOM 0 H ALA A 53 -4.604 -5.074 -6.658 1.00 24.33 H new ATOM 0 HA ALA A 53 -5.290 -2.774 -8.118 1.00 35.23 H new ATOM 0 HB1 ALA A 53 -7.552 -3.317 -7.269 1.00 32.22 H new ATOM 0 HB2 ALA A 53 -6.703 -4.774 -7.837 1.00 32.22 H new ATOM 0 HB3 ALA A 53 -6.836 -4.445 -6.093 1.00 32.22 H new ATOM 792 N VAL A 54 -5.176 -2.273 -4.844 1.00 1.03 N ATOM 793 CA VAL A 54 -5.007 -1.209 -3.848 1.00 32.25 C ATOM 794 C VAL A 54 -3.906 -0.255 -4.306 1.00 33.14 C ATOM 795 O VAL A 54 -4.066 0.957 -4.178 1.00 75.12 O ATOM 796 CB VAL A 54 -4.669 -1.783 -2.442 1.00 55.10 C ATOM 797 CG1 VAL A 54 -4.321 -0.704 -1.402 1.00 15.34 C ATOM 798 CG2 VAL A 54 -5.814 -2.610 -1.851 1.00 21.55 C ATOM 0 H VAL A 54 -5.102 -3.214 -4.458 1.00 1.03 H new ATOM 0 HA VAL A 54 -5.951 -0.671 -3.762 1.00 32.25 H new ATOM 0 HB VAL A 54 -3.796 -2.409 -2.629 1.00 55.10 H new ATOM 0 HG11 VAL A 54 -4.097 -1.178 -0.447 1.00 15.34 H new ATOM 0 HG12 VAL A 54 -3.452 -0.140 -1.740 1.00 15.34 H new ATOM 0 HG13 VAL A 54 -5.168 -0.028 -1.282 1.00 15.34 H new ATOM 0 HG21 VAL A 54 -5.523 -2.985 -0.870 1.00 21.55 H new ATOM 0 HG22 VAL A 54 -6.701 -1.984 -1.752 1.00 21.55 H new ATOM 0 HG23 VAL A 54 -6.034 -3.450 -2.510 1.00 21.55 H new ATOM 808 N LEU A 55 -2.782 -0.784 -4.796 1.00 20.54 N ATOM 809 CA LEU A 55 -1.576 -0.009 -5.071 1.00 40.20 C ATOM 810 C LEU A 55 -1.843 0.878 -6.262 1.00 40.53 C ATOM 811 O LEU A 55 -1.568 2.069 -6.204 1.00 2.54 O ATOM 812 CB LEU A 55 -0.345 -0.887 -5.365 1.00 72.41 C ATOM 813 CG LEU A 55 0.031 -1.922 -4.296 1.00 52.04 C ATOM 814 CD1 LEU A 55 1.430 -2.466 -4.609 1.00 31.34 C ATOM 815 CD2 LEU A 55 -0.061 -1.388 -2.855 1.00 21.45 C ATOM 0 H LEU A 55 -2.686 -1.776 -5.015 1.00 20.54 H new ATOM 0 HA LEU A 55 -1.346 0.570 -4.177 1.00 40.20 H new ATOM 0 HB2 LEU A 55 -0.518 -1.414 -6.303 1.00 72.41 H new ATOM 0 HB3 LEU A 55 0.512 -0.231 -5.521 1.00 72.41 H new ATOM 0 HG LEU A 55 -0.703 -2.727 -4.339 1.00 52.04 H new ATOM 0 HD11 LEU A 55 1.710 -3.203 -3.857 1.00 31.34 H new ATOM 0 HD12 LEU A 55 1.426 -2.935 -5.593 1.00 31.34 H new ATOM 0 HD13 LEU A 55 2.149 -1.647 -4.600 1.00 31.34 H new ATOM 0 HD21 LEU A 55 0.219 -2.176 -2.156 1.00 21.45 H new ATOM 0 HD22 LEU A 55 0.615 -0.541 -2.737 1.00 21.45 H new ATOM 0 HD23 LEU A 55 -1.083 -1.068 -2.650 1.00 21.45 H new ATOM 827 N GLN A 56 -2.417 0.290 -7.303 1.00 24.41 N ATOM 828 CA GLN A 56 -2.778 0.940 -8.534 1.00 64.13 C ATOM 829 C GLN A 56 -3.708 2.114 -8.257 1.00 11.12 C ATOM 830 O GLN A 56 -3.382 3.239 -8.625 1.00 34.14 O ATOM 831 CB GLN A 56 -3.401 -0.133 -9.421 1.00 35.24 C ATOM 832 CG GLN A 56 -3.832 0.377 -10.791 1.00 40.33 C ATOM 833 CD GLN A 56 -4.486 -0.768 -11.554 1.00 43.32 C ATOM 834 OE1 GLN A 56 -5.678 -0.737 -11.862 1.00 43.13 O ATOM 835 NE2 GLN A 56 -3.749 -1.828 -11.832 1.00 14.34 N ATOM 0 H GLN A 56 -2.651 -0.703 -7.301 1.00 24.41 H new ATOM 0 HA GLN A 56 -1.917 1.371 -9.045 1.00 64.13 H new ATOM 0 HB2 GLN A 56 -2.684 -0.943 -9.554 1.00 35.24 H new ATOM 0 HB3 GLN A 56 -4.267 -0.555 -8.911 1.00 35.24 H new ATOM 0 HG2 GLN A 56 -4.530 1.207 -10.683 1.00 40.33 H new ATOM 0 HG3 GLN A 56 -2.971 0.755 -11.342 1.00 40.33 H new ATOM 0 HE21 GLN A 56 -2.762 -1.845 -11.573 1.00 14.34 H new ATOM 0 HE22 GLN A 56 -4.166 -2.629 -12.305 1.00 14.34 H new ATOM 844 N GLN A 57 -4.844 1.886 -7.585 1.00 71.21 N ATOM 845 CA GLN A 57 -5.825 2.966 -7.401 1.00 43.12 C ATOM 846 C GLN A 57 -5.197 4.099 -6.582 1.00 63.03 C ATOM 847 O GLN A 57 -5.388 5.290 -6.845 1.00 42.54 O ATOM 848 CB GLN A 57 -7.089 2.440 -6.703 1.00 71.22 C ATOM 849 CG GLN A 57 -8.253 3.450 -6.773 1.00 12.13 C ATOM 850 CD GLN A 57 -9.412 3.081 -5.848 1.00 73.10 C ATOM 851 OE1 GLN A 57 -9.991 1.903 -6.000 1.00 3.23 O flip ATOM 852 NE2 GLN A 57 -9.788 3.832 -4.947 1.00 55.53 N flip ATOM 0 H GLN A 57 -5.103 0.991 -7.170 1.00 71.21 H new ATOM 0 HA GLN A 57 -6.113 3.349 -8.380 1.00 43.12 H new ATOM 0 HB2 GLN A 57 -7.395 1.502 -7.167 1.00 71.22 H new ATOM 0 HB3 GLN A 57 -6.862 2.221 -5.660 1.00 71.22 H new ATOM 0 HG2 GLN A 57 -7.885 4.441 -6.509 1.00 12.13 H new ATOM 0 HG3 GLN A 57 -8.617 3.508 -7.799 1.00 12.13 H new ATOM 0 HE21 GLN A 57 -9.345 4.743 -4.824 1.00 55.53 H new ATOM 0 HE22 GLN A 57 -10.542 3.543 -4.324 1.00 55.53 H new ATOM 861 N PHE A 58 -4.441 3.703 -5.562 1.00 75.42 N ATOM 862 CA PHE A 58 -3.735 4.583 -4.657 1.00 61.31 C ATOM 863 C PHE A 58 -2.703 5.423 -5.411 1.00 22.13 C ATOM 864 O PHE A 58 -2.640 6.634 -5.236 1.00 11.35 O ATOM 865 CB PHE A 58 -3.087 3.700 -3.587 1.00 71.24 C ATOM 866 CG PHE A 58 -2.092 4.386 -2.700 1.00 62.11 C ATOM 867 CD1 PHE A 58 -2.469 5.553 -2.023 1.00 54.24 C ATOM 868 CD2 PHE A 58 -0.811 3.829 -2.514 1.00 74.52 C ATOM 869 CE1 PHE A 58 -1.560 6.172 -1.165 1.00 42.33 C ATOM 870 CE2 PHE A 58 0.097 4.449 -1.644 1.00 14.01 C ATOM 871 CZ PHE A 58 -0.278 5.627 -0.983 1.00 44.12 C ATOM 0 H PHE A 58 -4.303 2.717 -5.341 1.00 75.42 H new ATOM 0 HA PHE A 58 -4.416 5.293 -4.188 1.00 61.31 H new ATOM 0 HB2 PHE A 58 -3.875 3.279 -2.962 1.00 71.24 H new ATOM 0 HB3 PHE A 58 -2.591 2.865 -4.081 1.00 71.24 H new ATOM 0 HD1 PHE A 58 -3.455 5.970 -2.164 1.00 54.24 H new ATOM 0 HD2 PHE A 58 -0.530 2.928 -3.039 1.00 74.52 H new ATOM 0 HE1 PHE A 58 -1.842 7.072 -0.639 1.00 42.33 H new ATOM 0 HE2 PHE A 58 1.076 4.023 -1.485 1.00 14.01 H new ATOM 0 HZ PHE A 58 0.425 6.120 -0.328 1.00 44.12 H new ATOM 881 N LYS A 59 -1.863 4.807 -6.235 1.00 72.31 N ATOM 882 CA LYS A 59 -0.830 5.489 -6.994 1.00 53.52 C ATOM 883 C LYS A 59 -1.376 6.337 -8.130 1.00 13.15 C ATOM 884 O LYS A 59 -0.810 7.395 -8.393 1.00 3.14 O ATOM 885 CB LYS A 59 0.219 4.467 -7.444 1.00 13.51 C ATOM 886 CG LYS A 59 1.569 5.106 -7.781 1.00 25.23 C ATOM 887 CD LYS A 59 2.164 6.033 -6.712 1.00 50.43 C ATOM 888 CE LYS A 59 2.093 5.491 -5.269 1.00 3.05 C ATOM 889 NZ LYS A 59 1.048 6.139 -4.434 1.00 4.44 N ATOM 0 H LYS A 59 -1.884 3.800 -6.395 1.00 72.31 H new ATOM 0 HA LYS A 59 -0.345 6.216 -6.342 1.00 53.52 H new ATOM 0 HB2 LYS A 59 0.360 3.728 -6.656 1.00 13.51 H new ATOM 0 HB3 LYS A 59 -0.153 3.934 -8.319 1.00 13.51 H new ATOM 0 HG2 LYS A 59 2.285 4.309 -7.981 1.00 25.23 H new ATOM 0 HG3 LYS A 59 1.458 5.674 -8.705 1.00 25.23 H new ATOM 0 HD2 LYS A 59 3.207 6.227 -6.961 1.00 50.43 H new ATOM 0 HD3 LYS A 59 1.643 6.990 -6.751 1.00 50.43 H new ATOM 0 HE2 LYS A 59 1.904 4.418 -5.303 1.00 3.05 H new ATOM 0 HE3 LYS A 59 3.063 5.628 -4.791 1.00 3.05 H new ATOM 0 HZ1 LYS A 59 1.405 6.262 -3.465 1.00 4.44 H new ATOM 0 HZ2 LYS A 59 0.810 7.068 -4.835 1.00 4.44 H new ATOM 0 HZ3 LYS A 59 0.197 5.541 -4.417 1.00 4.44 H new ATOM 903 N ASP A 60 -2.517 5.965 -8.693 1.00 13.34 N ATOM 904 CA ASP A 60 -3.271 6.813 -9.604 1.00 52.30 C ATOM 905 C ASP A 60 -4.022 7.924 -8.848 1.00 12.13 C ATOM 906 O ASP A 60 -4.730 8.705 -9.483 1.00 62.31 O ATOM 907 CB ASP A 60 -4.236 5.950 -10.446 1.00 22.44 C ATOM 908 CG ASP A 60 -3.564 5.223 -11.619 1.00 72.22 C ATOM 909 OD1 ASP A 60 -2.508 5.682 -12.128 1.00 45.50 O ATOM 910 OD2 ASP A 60 -4.099 4.181 -12.060 1.00 14.44 O ATOM 0 H ASP A 60 -2.949 5.056 -8.528 1.00 13.34 H new ATOM 0 HA ASP A 60 -2.571 7.307 -10.277 1.00 52.30 H new ATOM 0 HB2 ASP A 60 -4.707 5.212 -9.797 1.00 22.44 H new ATOM 0 HB3 ASP A 60 -5.031 6.587 -10.834 1.00 22.44 H new ATOM 915 N SER A 61 -3.951 8.008 -7.512 1.00 45.20 N ATOM 916 CA SER A 61 -4.445 9.168 -6.768 1.00 44.20 C ATOM 917 C SER A 61 -3.366 10.268 -6.748 1.00 65.04 C ATOM 918 O SER A 61 -2.218 10.023 -7.141 1.00 11.35 O ATOM 919 CB SER A 61 -4.866 8.749 -5.355 1.00 34.44 C ATOM 920 OG SER A 61 -5.772 7.645 -5.371 1.00 72.00 O ATOM 0 H SER A 61 -3.552 7.277 -6.923 1.00 45.20 H new ATOM 0 HA SER A 61 -5.328 9.575 -7.261 1.00 44.20 H new ATOM 0 HB2 SER A 61 -3.981 8.483 -4.777 1.00 34.44 H new ATOM 0 HB3 SER A 61 -5.334 9.594 -4.851 1.00 34.44 H new ATOM 0 HG SER A 61 -5.372 6.901 -5.867 1.00 72.00 H new ATOM 926 N ASP A 62 -3.713 11.461 -6.249 1.00 32.21 N ATOM 927 CA ASP A 62 -2.875 12.657 -6.320 1.00 71.33 C ATOM 928 C ASP A 62 -2.502 13.125 -4.919 1.00 32.15 C ATOM 929 O ASP A 62 -3.264 13.839 -4.264 1.00 33.34 O ATOM 930 CB ASP A 62 -3.548 13.755 -7.146 1.00 53.34 C ATOM 931 CG ASP A 62 -2.500 14.790 -7.548 1.00 32.43 C ATOM 932 OD1 ASP A 62 -1.923 15.453 -6.652 1.00 30.34 O ATOM 933 OD2 ASP A 62 -2.182 14.872 -8.751 1.00 1.41 O ATOM 0 H ASP A 62 -4.602 11.621 -5.776 1.00 32.21 H new ATOM 0 HA ASP A 62 -1.948 12.407 -6.837 1.00 71.33 H new ATOM 0 HB2 ASP A 62 -4.013 13.326 -8.034 1.00 53.34 H new ATOM 0 HB3 ASP A 62 -4.341 14.228 -6.567 1.00 53.34 H new ATOM 938 N LEU A 63 -1.366 12.640 -4.422 1.00 54.01 N ATOM 939 CA LEU A 63 -0.978 12.743 -3.022 1.00 12.45 C ATOM 940 C LEU A 63 -0.394 14.110 -2.651 1.00 62.32 C ATOM 941 O LEU A 63 -0.124 14.329 -1.471 1.00 42.24 O ATOM 942 CB LEU A 63 -0.016 11.580 -2.698 1.00 2.33 C ATOM 943 CG LEU A 63 -0.745 10.235 -2.505 1.00 44.32 C ATOM 944 CD1 LEU A 63 0.287 9.119 -2.324 1.00 61.54 C ATOM 945 CD2 LEU A 63 -1.683 10.192 -1.283 1.00 54.04 C ATOM 0 H LEU A 63 -0.677 12.154 -4.996 1.00 54.01 H new ATOM 0 HA LEU A 63 -1.873 12.660 -2.405 1.00 12.45 H new ATOM 0 HB2 LEU A 63 0.711 11.481 -3.504 1.00 2.33 H new ATOM 0 HB3 LEU A 63 0.542 11.818 -1.793 1.00 2.33 H new ATOM 0 HG LEU A 63 -1.356 10.104 -3.398 1.00 44.32 H new ATOM 0 HD11 LEU A 63 -0.226 8.167 -2.187 1.00 61.54 H new ATOM 0 HD12 LEU A 63 0.923 9.065 -3.208 1.00 61.54 H new ATOM 0 HD13 LEU A 63 0.900 9.329 -1.448 1.00 61.54 H new ATOM 0 HD21 LEU A 63 -2.155 9.212 -1.221 1.00 54.04 H new ATOM 0 HD22 LEU A 63 -1.107 10.375 -0.376 1.00 54.04 H new ATOM 0 HD23 LEU A 63 -2.451 10.959 -1.387 1.00 54.04 H new ATOM 957 N SER A 64 -0.242 15.027 -3.608 1.00 45.40 N ATOM 958 CA SER A 64 0.294 16.372 -3.434 1.00 1.42 C ATOM 959 C SER A 64 -0.368 17.065 -2.236 1.00 32.22 C ATOM 960 O SER A 64 0.293 17.406 -1.257 1.00 22.32 O ATOM 961 CB SER A 64 0.078 17.127 -4.756 1.00 10.21 C ATOM 962 OG SER A 64 0.617 18.429 -4.743 1.00 13.34 O ATOM 0 H SER A 64 -0.504 14.838 -4.575 1.00 45.40 H new ATOM 0 HA SER A 64 1.360 16.349 -3.209 1.00 1.42 H new ATOM 0 HB2 SER A 64 0.531 16.561 -5.569 1.00 10.21 H new ATOM 0 HB3 SER A 64 -0.990 17.184 -4.964 1.00 10.21 H new ATOM 0 HG SER A 64 0.452 18.860 -5.607 1.00 13.34 H new ATOM 968 N HIS A 65 -1.689 17.244 -2.291 1.00 24.15 N ATOM 969 CA HIS A 65 -2.455 18.014 -1.318 1.00 4.15 C ATOM 970 C HIS A 65 -2.908 17.148 -0.129 1.00 24.35 C ATOM 971 O HIS A 65 -3.990 17.360 0.423 1.00 63.30 O ATOM 972 CB HIS A 65 -3.619 18.696 -2.060 1.00 25.51 C ATOM 973 CG HIS A 65 -3.217 19.736 -3.084 1.00 50.22 C ATOM 974 ND1 HIS A 65 -4.077 20.388 -3.944 1.00 5.25 N ATOM 975 CD2 HIS A 65 -1.960 20.234 -3.311 1.00 25.42 C ATOM 976 CE1 HIS A 65 -3.356 21.268 -4.656 1.00 2.21 C ATOM 977 NE2 HIS A 65 -2.057 21.198 -4.318 1.00 73.32 N ATOM 0 H HIS A 65 -2.267 16.847 -3.032 1.00 24.15 H new ATOM 0 HA HIS A 65 -1.830 18.786 -0.869 1.00 4.15 H new ATOM 0 HB2 HIS A 65 -4.208 17.928 -2.560 1.00 25.51 H new ATOM 0 HB3 HIS A 65 -4.270 19.168 -1.324 1.00 25.51 H new ATOM 0 HD2 HIS A 65 -1.056 19.935 -2.802 1.00 25.42 H new ATOM 0 HE1 HIS A 65 -3.763 21.939 -5.398 1.00 2.21 H new ATOM 0 HE2 HIS A 65 -1.292 21.742 -4.718 1.00 73.32 H new ATOM 985 N VAL A 66 -2.135 16.129 0.248 1.00 70.22 N ATOM 986 CA VAL A 66 -2.441 15.212 1.338 1.00 64.54 C ATOM 987 C VAL A 66 -1.263 15.278 2.315 1.00 74.34 C ATOM 988 O VAL A 66 -0.118 15.015 1.944 1.00 61.23 O ATOM 989 CB VAL A 66 -2.698 13.800 0.773 1.00 30.31 C ATOM 990 CG1 VAL A 66 -2.781 12.733 1.873 1.00 3.05 C ATOM 991 CG2 VAL A 66 -3.920 13.683 -0.141 1.00 65.34 C ATOM 0 H VAL A 66 -1.251 15.915 -0.214 1.00 70.22 H new ATOM 0 HA VAL A 66 -3.351 15.484 1.872 1.00 64.54 H new ATOM 0 HB VAL A 66 -1.821 13.616 0.152 1.00 30.31 H new ATOM 0 HG11 VAL A 66 -2.963 11.758 1.421 1.00 3.05 H new ATOM 0 HG12 VAL A 66 -1.842 12.707 2.426 1.00 3.05 H new ATOM 0 HG13 VAL A 66 -3.597 12.975 2.554 1.00 3.05 H new ATOM 0 HG21 VAL A 66 -4.018 12.654 -0.488 1.00 65.34 H new ATOM 0 HG22 VAL A 66 -4.816 13.966 0.411 1.00 65.34 H new ATOM 0 HG23 VAL A 66 -3.798 14.345 -0.998 1.00 65.34 H new ATOM 1001 N GLN A 67 -1.545 15.655 3.565 1.00 71.34 N ATOM 1002 CA GLN A 67 -0.565 15.682 4.648 1.00 14.44 C ATOM 1003 C GLN A 67 -0.249 14.245 5.079 1.00 45.11 C ATOM 1004 O GLN A 67 0.909 13.851 5.207 1.00 11.31 O ATOM 1005 CB GLN A 67 -1.126 16.433 5.875 1.00 50.02 C ATOM 1006 CG GLN A 67 -1.766 17.812 5.626 1.00 44.33 C ATOM 1007 CD GLN A 67 -2.799 18.131 6.708 1.00 12.11 C ATOM 1008 OE1 GLN A 67 -2.678 19.095 7.459 1.00 54.41 O ATOM 1009 NE2 GLN A 67 -3.851 17.331 6.824 1.00 32.55 N ATOM 0 H GLN A 67 -2.476 15.954 3.855 1.00 71.34 H new ATOM 0 HA GLN A 67 0.330 16.189 4.287 1.00 14.44 H new ATOM 0 HB2 GLN A 67 -1.872 15.795 6.349 1.00 50.02 H new ATOM 0 HB3 GLN A 67 -0.315 16.562 6.592 1.00 50.02 H new ATOM 0 HG2 GLN A 67 -0.993 18.581 5.616 1.00 44.33 H new ATOM 0 HG3 GLN A 67 -2.242 17.826 4.646 1.00 44.33 H new ATOM 0 HE21 GLN A 67 -3.954 16.530 6.201 1.00 32.55 H new ATOM 0 HE22 GLN A 67 -4.557 17.517 7.536 1.00 32.55 H new ATOM 1018 N ASN A 68 -1.307 13.479 5.347 1.00 71.33 N ATOM 1019 CA ASN A 68 -1.329 12.252 6.128 1.00 13.34 C ATOM 1020 C ASN A 68 -1.504 11.083 5.171 1.00 24.13 C ATOM 1021 O ASN A 68 -2.594 10.542 4.968 1.00 52.13 O ATOM 1022 CB ASN A 68 -2.415 12.306 7.222 1.00 33.15 C ATOM 1023 CG ASN A 68 -3.831 12.659 6.759 1.00 72.53 C ATOM 1024 OD1 ASN A 68 -4.046 13.240 5.693 1.00 31.11 O ATOM 1025 ND2 ASN A 68 -4.814 12.398 7.602 1.00 2.12 N ATOM 0 H ASN A 68 -2.234 13.721 4.997 1.00 71.33 H new ATOM 0 HA ASN A 68 -0.388 12.123 6.663 1.00 13.34 H new ATOM 0 HB2 ASN A 68 -2.450 11.336 7.717 1.00 33.15 H new ATOM 0 HB3 ASN A 68 -2.109 13.036 7.972 1.00 33.15 H new ATOM 0 HD21 ASN A 68 -5.768 12.678 7.375 1.00 2.12 H new ATOM 0 HD22 ASN A 68 -4.619 11.916 8.480 1.00 2.12 H new ATOM 1032 N LYS A 69 -0.379 10.693 4.571 1.00 2.24 N ATOM 1033 CA LYS A 69 -0.295 9.653 3.553 1.00 42.04 C ATOM 1034 C LYS A 69 -0.977 8.362 4.020 1.00 12.34 C ATOM 1035 O LYS A 69 -1.562 7.652 3.195 1.00 53.20 O ATOM 1036 CB LYS A 69 1.189 9.381 3.220 1.00 55.23 C ATOM 1037 CG LYS A 69 1.920 10.351 2.283 1.00 71.11 C ATOM 1038 CD LYS A 69 1.967 11.793 2.765 1.00 74.24 C ATOM 1039 CE LYS A 69 3.020 12.649 2.032 1.00 24.45 C ATOM 1040 NZ LYS A 69 2.926 12.583 0.558 1.00 23.24 N ATOM 0 H LYS A 69 0.527 11.108 4.790 1.00 2.24 H new ATOM 0 HA LYS A 69 -0.815 9.999 2.659 1.00 42.04 H new ATOM 0 HB2 LYS A 69 1.739 9.351 4.160 1.00 55.23 H new ATOM 0 HB3 LYS A 69 1.253 8.385 2.781 1.00 55.23 H new ATOM 0 HG2 LYS A 69 2.941 9.997 2.142 1.00 71.11 H new ATOM 0 HG3 LYS A 69 1.436 10.325 1.307 1.00 71.11 H new ATOM 0 HD2 LYS A 69 0.984 12.245 2.631 1.00 74.24 H new ATOM 0 HD3 LYS A 69 2.180 11.804 3.834 1.00 74.24 H new ATOM 0 HE2 LYS A 69 2.913 13.687 2.347 1.00 24.45 H new ATOM 0 HE3 LYS A 69 4.015 12.324 2.338 1.00 24.45 H new ATOM 0 HZ1 LYS A 69 3.595 13.259 0.137 1.00 23.24 H new ATOM 0 HZ2 LYS A 69 3.158 11.621 0.238 1.00 23.24 H new ATOM 0 HZ3 LYS A 69 1.959 12.823 0.261 1.00 23.24 H new ATOM 1054 N SER A 70 -0.870 8.002 5.296 1.00 60.44 N ATOM 1055 CA SER A 70 -1.354 6.739 5.833 1.00 0.32 C ATOM 1056 C SER A 70 -2.862 6.670 5.704 1.00 21.43 C ATOM 1057 O SER A 70 -3.363 5.776 5.031 1.00 13.22 O ATOM 1058 CB SER A 70 -0.895 6.571 7.274 1.00 13.04 C ATOM 1059 OG SER A 70 -1.343 7.631 8.083 1.00 73.24 O ATOM 0 H SER A 70 -0.433 8.597 6.000 1.00 60.44 H new ATOM 0 HA SER A 70 -0.934 5.912 5.260 1.00 0.32 H new ATOM 0 HB2 SER A 70 -1.270 5.627 7.669 1.00 13.04 H new ATOM 0 HB3 SER A 70 0.193 6.521 7.307 1.00 13.04 H new ATOM 0 HG SER A 70 -1.034 7.494 9.003 1.00 73.24 H new ATOM 1065 N ALA A 71 -3.565 7.656 6.268 1.00 2.04 N ATOM 1066 CA ALA A 71 -5.016 7.701 6.270 1.00 53.30 C ATOM 1067 C ALA A 71 -5.566 7.670 4.851 1.00 14.31 C ATOM 1068 O ALA A 71 -6.577 7.007 4.611 1.00 42.03 O ATOM 1069 CB ALA A 71 -5.497 8.945 7.027 1.00 35.42 C ATOM 0 H ALA A 71 -3.131 8.450 6.739 1.00 2.04 H new ATOM 0 HA ALA A 71 -5.394 6.816 6.782 1.00 53.30 H new ATOM 0 HB1 ALA A 71 -6.587 8.973 7.025 1.00 35.42 H new ATOM 0 HB2 ALA A 71 -5.137 8.907 8.055 1.00 35.42 H new ATOM 0 HB3 ALA A 71 -5.110 9.840 6.540 1.00 35.42 H new ATOM 1075 N PHE A 72 -4.872 8.323 3.910 1.00 71.10 N ATOM 1076 CA PHE A 72 -5.333 8.301 2.527 1.00 33.13 C ATOM 1077 C PHE A 72 -5.297 6.864 1.999 1.00 42.12 C ATOM 1078 O PHE A 72 -6.291 6.349 1.483 1.00 40.32 O ATOM 1079 CB PHE A 72 -4.509 9.254 1.653 1.00 43.30 C ATOM 1080 CG PHE A 72 -5.076 9.380 0.250 1.00 13.14 C ATOM 1081 CD1 PHE A 72 -4.865 8.360 -0.699 1.00 12.22 C ATOM 1082 CD2 PHE A 72 -5.878 10.486 -0.088 1.00 11.14 C ATOM 1083 CE1 PHE A 72 -5.482 8.426 -1.959 1.00 34.13 C ATOM 1084 CE2 PHE A 72 -6.495 10.551 -1.348 1.00 54.11 C ATOM 1085 CZ PHE A 72 -6.306 9.519 -2.278 1.00 23.42 C ATOM 0 H PHE A 72 -4.018 8.855 4.077 1.00 71.10 H new ATOM 0 HA PHE A 72 -6.363 8.655 2.487 1.00 33.13 H new ATOM 0 HB2 PHE A 72 -4.478 10.238 2.120 1.00 43.30 H new ATOM 0 HB3 PHE A 72 -3.481 8.896 1.597 1.00 43.30 H new ATOM 0 HD1 PHE A 72 -4.226 7.524 -0.456 1.00 12.22 H new ATOM 0 HD2 PHE A 72 -6.019 11.286 0.623 1.00 11.14 H new ATOM 0 HE1 PHE A 72 -5.324 7.639 -2.681 1.00 34.13 H new ATOM 0 HE2 PHE A 72 -7.116 11.397 -1.601 1.00 54.11 H new ATOM 0 HZ PHE A 72 -6.794 9.564 -3.240 1.00 23.42 H new ATOM 1095 N LEU A 73 -4.129 6.229 2.120 1.00 35.12 N ATOM 1096 CA LEU A 73 -3.839 4.889 1.614 1.00 33.14 C ATOM 1097 C LEU A 73 -4.774 3.884 2.267 1.00 12.33 C ATOM 1098 O LEU A 73 -5.447 3.098 1.601 1.00 1.34 O ATOM 1099 CB LEU A 73 -2.364 4.591 1.933 1.00 44.24 C ATOM 1100 CG LEU A 73 -1.857 3.135 1.838 1.00 34.15 C ATOM 1101 CD1 LEU A 73 -1.981 2.441 3.198 1.00 2.32 C ATOM 1102 CD2 LEU A 73 -2.395 2.347 0.635 1.00 3.01 C ATOM 0 H LEU A 73 -3.330 6.652 2.592 1.00 35.12 H new ATOM 0 HA LEU A 73 -3.998 4.821 0.538 1.00 33.14 H new ATOM 0 HB2 LEU A 73 -1.754 5.196 1.263 1.00 44.24 H new ATOM 0 HB3 LEU A 73 -2.169 4.942 2.946 1.00 44.24 H new ATOM 0 HG LEU A 73 -0.793 3.168 1.606 1.00 34.15 H new ATOM 0 HD11 LEU A 73 -1.620 1.416 3.117 1.00 2.32 H new ATOM 0 HD12 LEU A 73 -1.385 2.978 3.936 1.00 2.32 H new ATOM 0 HD13 LEU A 73 -3.026 2.435 3.509 1.00 2.32 H new ATOM 0 HD21 LEU A 73 -1.986 1.337 0.650 1.00 3.01 H new ATOM 0 HD22 LEU A 73 -3.483 2.299 0.688 1.00 3.01 H new ATOM 0 HD23 LEU A 73 -2.098 2.845 -0.288 1.00 3.01 H new ATOM 1114 N CYS A 74 -4.782 3.905 3.592 1.00 1.11 N ATOM 1115 CA CYS A 74 -5.525 2.959 4.401 1.00 53.32 C ATOM 1116 C CYS A 74 -7.031 3.087 4.115 1.00 40.43 C ATOM 1117 O CYS A 74 -7.726 2.076 4.048 1.00 31.42 O ATOM 1118 CB CYS A 74 -5.188 3.199 5.866 1.00 12.14 C ATOM 1119 SG CYS A 74 -5.654 1.753 6.829 1.00 60.42 S ATOM 0 H CYS A 74 -4.264 4.591 4.140 1.00 1.11 H new ATOM 0 HA CYS A 74 -5.244 1.936 4.151 1.00 53.32 H new ATOM 0 HB2 CYS A 74 -4.122 3.396 5.978 1.00 12.14 H new ATOM 0 HB3 CYS A 74 -5.715 4.080 6.233 1.00 12.14 H new ATOM 0 HG CYS A 74 -6.663 1.161 6.262 1.00 60.42 H new ATOM 1125 N GLY A 75 -7.512 4.292 3.781 1.00 61.52 N ATOM 1126 CA GLY A 75 -8.860 4.511 3.272 1.00 53.24 C ATOM 1127 C GLY A 75 -9.131 3.665 2.027 1.00 62.34 C ATOM 1128 O GLY A 75 -10.135 2.952 1.998 1.00 14.02 O ATOM 0 H GLY A 75 -6.964 5.149 3.860 1.00 61.52 H new ATOM 0 HA2 GLY A 75 -9.587 4.265 4.046 1.00 53.24 H new ATOM 0 HA3 GLY A 75 -8.993 5.566 3.033 1.00 53.24 H new ATOM 1132 N VAL A 76 -8.230 3.682 1.032 1.00 52.13 N ATOM 1133 CA VAL A 76 -8.328 2.863 -0.184 1.00 55.11 C ATOM 1134 C VAL A 76 -8.361 1.379 0.199 1.00 63.20 C ATOM 1135 O VAL A 76 -9.219 0.635 -0.280 1.00 21.12 O ATOM 1136 CB VAL A 76 -7.183 3.186 -1.186 1.00 31.51 C ATOM 1137 CG1 VAL A 76 -7.271 2.365 -2.480 1.00 54.20 C ATOM 1138 CG2 VAL A 76 -7.159 4.667 -1.585 1.00 62.52 C ATOM 0 H VAL A 76 -7.400 4.275 1.051 1.00 52.13 H new ATOM 0 HA VAL A 76 -9.258 3.105 -0.699 1.00 55.11 H new ATOM 0 HB VAL A 76 -6.272 2.925 -0.648 1.00 31.51 H new ATOM 0 HG11 VAL A 76 -6.446 2.635 -3.139 1.00 54.20 H new ATOM 0 HG12 VAL A 76 -7.213 1.303 -2.242 1.00 54.20 H new ATOM 0 HG13 VAL A 76 -8.217 2.574 -2.980 1.00 54.20 H new ATOM 0 HG21 VAL A 76 -6.342 4.842 -2.285 1.00 62.52 H new ATOM 0 HG22 VAL A 76 -8.105 4.932 -2.057 1.00 62.52 H new ATOM 0 HG23 VAL A 76 -7.013 5.281 -0.696 1.00 62.52 H new ATOM 1148 N MET A 77 -7.460 0.935 1.087 1.00 12.01 N ATOM 1149 CA MET A 77 -7.421 -0.455 1.547 1.00 24.11 C ATOM 1150 C MET A 77 -8.785 -0.882 2.073 1.00 71.44 C ATOM 1151 O MET A 77 -9.277 -1.954 1.726 1.00 4.01 O ATOM 1152 CB MET A 77 -6.408 -0.670 2.679 1.00 61.33 C ATOM 1153 CG MET A 77 -4.979 -0.298 2.321 1.00 74.13 C ATOM 1154 SD MET A 77 -3.843 -0.648 3.668 1.00 22.52 S ATOM 1155 CE MET A 77 -2.326 -0.695 2.704 1.00 55.40 C ATOM 0 H MET A 77 -6.742 1.528 1.503 1.00 12.01 H new ATOM 0 HA MET A 77 -7.126 -1.049 0.682 1.00 24.11 H new ATOM 0 HB2 MET A 77 -6.718 -0.083 3.544 1.00 61.33 H new ATOM 0 HB3 MET A 77 -6.434 -1.718 2.979 1.00 61.33 H new ATOM 0 HG2 MET A 77 -4.671 -0.850 1.433 1.00 74.13 H new ATOM 0 HG3 MET A 77 -4.931 0.762 2.071 1.00 74.13 H new ATOM 0 HE1 MET A 77 -1.469 -0.582 3.368 1.00 55.40 H new ATOM 0 HE2 MET A 77 -2.256 -1.649 2.181 1.00 55.40 H new ATOM 0 HE3 MET A 77 -2.331 0.117 1.977 1.00 55.40 H new ATOM 1165 N LYS A 78 -9.396 -0.053 2.918 1.00 73.54 N ATOM 1166 CA LYS A 78 -10.652 -0.386 3.563 1.00 12.22 C ATOM 1167 C LYS A 78 -11.722 -0.660 2.513 1.00 1.34 C ATOM 1168 O LYS A 78 -12.418 -1.662 2.626 1.00 75.53 O ATOM 1169 CB LYS A 78 -11.027 0.734 4.541 1.00 63.24 C ATOM 1170 CG LYS A 78 -12.080 0.256 5.548 1.00 44.34 C ATOM 1171 CD LYS A 78 -12.298 1.335 6.611 1.00 11.11 C ATOM 1172 CE LYS A 78 -13.197 0.781 7.715 1.00 51.03 C ATOM 1173 NZ LYS A 78 -13.220 1.689 8.876 1.00 13.24 N ATOM 0 H LYS A 78 -9.030 0.865 3.170 1.00 73.54 H new ATOM 0 HA LYS A 78 -10.557 -1.302 4.145 1.00 12.22 H new ATOM 0 HB2 LYS A 78 -10.137 1.070 5.073 1.00 63.24 H new ATOM 0 HB3 LYS A 78 -11.411 1.591 3.988 1.00 63.24 H new ATOM 0 HG2 LYS A 78 -13.018 0.041 5.035 1.00 44.34 H new ATOM 0 HG3 LYS A 78 -11.754 -0.672 6.018 1.00 44.34 H new ATOM 0 HD2 LYS A 78 -11.341 1.649 7.028 1.00 11.11 H new ATOM 0 HD3 LYS A 78 -12.755 2.217 6.162 1.00 11.11 H new ATOM 0 HE2 LYS A 78 -14.209 0.646 7.333 1.00 51.03 H new ATOM 0 HE3 LYS A 78 -12.839 -0.201 8.023 1.00 51.03 H new ATOM 0 HZ1 LYS A 78 -13.837 1.293 9.614 1.00 13.24 H new ATOM 0 HZ2 LYS A 78 -12.256 1.797 9.251 1.00 13.24 H new ATOM 0 HZ3 LYS A 78 -13.583 2.618 8.583 1.00 13.24 H new ATOM 1187 N THR A 79 -11.840 0.177 1.480 1.00 55.12 N ATOM 1188 CA THR A 79 -12.752 -0.084 0.373 1.00 40.32 C ATOM 1189 C THR A 79 -12.407 -1.407 -0.305 1.00 34.41 C ATOM 1190 O THR A 79 -13.294 -2.217 -0.540 1.00 62.11 O ATOM 1191 CB THR A 79 -12.701 1.053 -0.668 1.00 24.34 C ATOM 1192 OG1 THR A 79 -12.168 2.258 -0.154 1.00 11.32 O ATOM 1193 CG2 THR A 79 -14.104 1.326 -1.202 1.00 21.34 C ATOM 0 H THR A 79 -11.311 1.044 1.391 1.00 55.12 H new ATOM 0 HA THR A 79 -13.760 -0.140 0.783 1.00 40.32 H new ATOM 0 HB THR A 79 -12.036 0.714 -1.463 1.00 24.34 H new ATOM 0 HG1 THR A 79 -12.160 2.939 -0.859 1.00 11.32 H new ATOM 0 HG21 THR A 79 -14.064 2.130 -1.937 1.00 21.34 H new ATOM 0 HG22 THR A 79 -14.496 0.424 -1.672 1.00 21.34 H new ATOM 0 HG23 THR A 79 -14.756 1.619 -0.379 1.00 21.34 H new ATOM 1201 N TYR A 80 -11.132 -1.658 -0.609 1.00 53.32 N ATOM 1202 CA TYR A 80 -10.737 -2.876 -1.305 1.00 21.33 C ATOM 1203 C TYR A 80 -11.095 -4.144 -0.539 1.00 53.04 C ATOM 1204 O TYR A 80 -11.600 -5.084 -1.151 1.00 75.42 O ATOM 1205 CB TYR A 80 -9.247 -2.836 -1.632 1.00 52.03 C ATOM 1206 CG TYR A 80 -9.023 -2.283 -3.016 1.00 51.11 C ATOM 1207 CD1 TYR A 80 -9.311 -3.085 -4.130 1.00 51.34 C ATOM 1208 CD2 TYR A 80 -8.630 -0.950 -3.197 1.00 2.04 C ATOM 1209 CE1 TYR A 80 -9.246 -2.549 -5.422 1.00 14.13 C ATOM 1210 CE2 TYR A 80 -8.527 -0.414 -4.489 1.00 42.12 C ATOM 1211 CZ TYR A 80 -8.861 -1.205 -5.612 1.00 72.40 C ATOM 1212 OH TYR A 80 -8.865 -0.663 -6.859 1.00 33.24 O ATOM 0 H TYR A 80 -10.359 -1.032 -0.383 1.00 53.32 H new ATOM 0 HA TYR A 80 -11.307 -2.912 -2.233 1.00 21.33 H new ATOM 0 HB2 TYR A 80 -8.725 -2.221 -0.900 1.00 52.03 H new ATOM 0 HB3 TYR A 80 -8.827 -3.839 -1.563 1.00 52.03 H new ATOM 0 HD1 TYR A 80 -9.584 -4.121 -3.991 1.00 51.34 H new ATOM 0 HD2 TYR A 80 -8.406 -0.334 -2.339 1.00 2.04 H new ATOM 0 HE1 TYR A 80 -9.491 -3.165 -6.274 1.00 14.13 H new ATOM 0 HE2 TYR A 80 -8.192 0.604 -4.626 1.00 42.12 H new ATOM 0 HH TYR A 80 -9.223 0.248 -6.818 1.00 33.24 H new ATOM 1222 N ARG A 81 -10.876 -4.184 0.778 1.00 35.10 N ATOM 1223 CA ARG A 81 -11.269 -5.327 1.591 1.00 11.44 C ATOM 1224 C ARG A 81 -12.792 -5.435 1.701 1.00 20.24 C ATOM 1225 O ARG A 81 -13.273 -6.446 2.193 1.00 72.52 O ATOM 1226 CB ARG A 81 -10.577 -5.243 2.969 1.00 54.45 C ATOM 1227 CG ARG A 81 -10.497 -6.612 3.670 1.00 60.41 C ATOM 1228 CD ARG A 81 -11.526 -6.831 4.791 1.00 60.52 C ATOM 1229 NE ARG A 81 -11.206 -6.040 5.989 1.00 35.43 N ATOM 1230 CZ ARG A 81 -10.452 -6.408 7.031 1.00 42.12 C ATOM 1231 NH1 ARG A 81 -9.876 -7.607 7.053 1.00 0.10 N ATOM 1232 NH2 ARG A 81 -10.282 -5.546 8.030 1.00 60.31 N ATOM 0 H ARG A 81 -10.427 -3.433 1.301 1.00 35.10 H new ATOM 0 HA ARG A 81 -10.938 -6.245 1.106 1.00 11.44 H new ATOM 0 HB2 ARG A 81 -9.571 -4.843 2.844 1.00 54.45 H new ATOM 0 HB3 ARG A 81 -11.121 -4.544 3.604 1.00 54.45 H new ATOM 0 HG2 ARG A 81 -10.626 -7.394 2.922 1.00 60.41 H new ATOM 0 HG3 ARG A 81 -9.497 -6.731 4.087 1.00 60.41 H new ATOM 0 HD2 ARG A 81 -12.519 -6.560 4.431 1.00 60.52 H new ATOM 0 HD3 ARG A 81 -11.559 -7.889 5.052 1.00 60.52 H new ATOM 0 HE ARG A 81 -11.605 -5.102 6.030 1.00 35.43 H new ATOM 0 HH11 ARG A 81 -10.008 -8.251 6.273 1.00 0.10 H new ATOM 0 HH12 ARG A 81 -9.302 -7.883 7.850 1.00 0.10 H new ATOM 0 HH21 ARG A 81 -10.722 -4.627 7.991 1.00 60.31 H new ATOM 0 HH22 ARG A 81 -9.711 -5.804 8.835 1.00 60.31 H new ATOM 1246 N GLN A 82 -13.556 -4.428 1.280 1.00 73.34 N ATOM 1247 CA GLN A 82 -14.987 -4.359 1.404 1.00 73.12 C ATOM 1248 C GLN A 82 -15.607 -3.887 0.087 1.00 41.15 C ATOM 1249 O GLN A 82 -16.157 -2.781 -0.005 1.00 53.13 O ATOM 1250 CB GLN A 82 -15.302 -3.437 2.582 1.00 2.01 C ATOM 1251 CG GLN A 82 -15.093 -4.153 3.924 1.00 73.51 C ATOM 1252 CD GLN A 82 -15.700 -3.378 5.085 1.00 52.44 C ATOM 1253 OE1 GLN A 82 -14.999 -2.749 5.879 1.00 71.23 O ATOM 1254 NE2 GLN A 82 -17.008 -3.464 5.260 1.00 14.34 N ATOM 0 H GLN A 82 -13.162 -3.605 0.823 1.00 73.34 H new ATOM 0 HA GLN A 82 -15.422 -5.338 1.604 1.00 73.12 H new ATOM 0 HB2 GLN A 82 -14.665 -2.554 2.536 1.00 2.01 H new ATOM 0 HB3 GLN A 82 -16.333 -3.090 2.509 1.00 2.01 H new ATOM 0 HG2 GLN A 82 -15.540 -5.146 3.878 1.00 73.51 H new ATOM 0 HG3 GLN A 82 -14.026 -4.291 4.099 1.00 73.51 H new ATOM 0 HE21 GLN A 82 -17.578 -3.988 4.596 1.00 14.34 H new ATOM 0 HE22 GLN A 82 -17.447 -3.007 6.059 1.00 14.34 H new