USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 6 SER OG : rot 64:sc= -1.71! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -42:sc= 0.0435 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 12 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.1!) USER MOD Single : A 13 THR OG1 : rot -175:sc= 1.22 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.19) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0291) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -1.71! (180deg=-2.65!) USER MOD Single : A 28 SER OG : rot 145:sc= -0.214 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 44 GLN : amide:sc= 0.219 K(o=0.22,f=-1.7!) USER MOD Single : A 48 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.04! K(o=-2!,f=-2.8) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0766 (180deg=-0.326) USER MOD Single : A 66 ASN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -43:sc= -0.712! USER MOD Single : A 83 ASN : amide:sc= 1.05 K(o=1,f=-4.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 5.883 -6.246 -4.401 1.00 0.81 N ATOM 29 CA TRP A 4 6.879 -5.751 -3.467 1.00 0.60 C ATOM 30 C TRP A 4 7.369 -6.865 -2.562 1.00 0.62 C ATOM 31 O TRP A 4 6.639 -7.819 -2.285 1.00 0.74 O ATOM 32 CB TRP A 4 6.310 -4.611 -2.632 1.00 0.45 C ATOM 33 CG TRP A 4 6.192 -3.334 -3.393 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.059 -2.790 -3.920 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.259 -2.445 -3.722 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.356 -1.605 -4.544 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.703 -1.373 -4.439 1.00 0.37 C ATOM 38 CE3 TRP A 4 8.632 -2.451 -3.470 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.476 -0.317 -4.912 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.398 -1.404 -3.940 1.00 0.52 C ATOM 41 CH2 TRP A 4 8.819 -0.349 -4.652 1.00 0.52 C ATOM 0 HA TRP A 4 7.725 -5.375 -4.043 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.327 -4.897 -2.259 1.00 0.45 H new ATOM 0 HB3 TRP A 4 6.947 -4.452 -1.762 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.073 -3.227 -3.856 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.684 -0.996 -5.010 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.086 -3.260 -2.917 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.032 0.498 -5.464 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.462 -1.399 -3.755 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.445 0.458 -5.004 1.00 0.52 H new ATOM 52 N GLU A 5 8.610 -6.726 -2.107 1.00 0.66 N ATOM 53 CA GLU A 5 9.263 -7.752 -1.312 1.00 0.73 C ATOM 54 C GLU A 5 8.493 -8.027 -0.027 1.00 0.67 C ATOM 55 O GLU A 5 8.516 -7.228 0.909 1.00 0.78 O ATOM 56 CB GLU A 5 10.692 -7.319 -0.979 1.00 0.96 C ATOM 57 CG GLU A 5 11.574 -7.135 -2.200 1.00 1.49 C ATOM 58 CD GLU A 5 11.733 -8.402 -3.013 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.500 -9.294 -2.590 1.00 2.65 O ATOM 60 OE2 GLU A 5 11.105 -8.507 -4.086 1.00 2.73 O ATOM 0 H GLU A 5 9.186 -5.902 -2.279 1.00 0.66 H new ATOM 0 HA GLU A 5 9.287 -8.672 -1.897 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.658 -6.383 -0.422 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.144 -8.063 -0.324 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.151 -6.355 -2.833 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.557 -6.789 -1.882 1.00 1.49 H new ATOM 67 N SER A 6 7.817 -9.163 0.006 1.00 0.74 N ATOM 68 CA SER A 6 7.055 -9.573 1.172 1.00 0.87 C ATOM 69 C SER A 6 7.670 -10.816 1.808 1.00 0.88 C ATOM 70 O SER A 6 7.054 -11.457 2.660 1.00 0.90 O ATOM 71 CB SER A 6 5.603 -9.835 0.774 1.00 1.16 C ATOM 72 OG SER A 6 5.064 -8.722 0.083 1.00 1.75 O ATOM 0 H SER A 6 7.781 -9.823 -0.770 1.00 0.74 H new ATOM 0 HA SER A 6 7.080 -8.771 1.909 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.548 -10.722 0.143 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.008 -10.040 1.664 1.00 1.16 H new ATOM 0 HG SER A 6 5.549 -8.594 -0.759 1.00 1.75 H new ATOM 78 N LYS A 7 8.895 -11.137 1.398 1.00 0.95 N ATOM 79 CA LYS A 7 9.559 -12.377 1.806 1.00 1.09 C ATOM 80 C LYS A 7 9.788 -12.454 3.311 1.00 1.03 C ATOM 81 O LYS A 7 10.001 -13.539 3.848 1.00 1.09 O ATOM 82 CB LYS A 7 10.885 -12.539 1.055 1.00 1.37 C ATOM 83 CG LYS A 7 11.870 -11.403 1.275 1.00 1.65 C ATOM 84 CD LYS A 7 12.787 -11.670 2.451 1.00 2.11 C ATOM 85 CE LYS A 7 13.732 -10.503 2.687 1.00 2.79 C ATOM 86 NZ LYS A 7 14.693 -10.780 3.781 1.00 3.24 N ATOM 0 H LYS A 7 9.454 -10.551 0.778 1.00 0.95 H new ATOM 0 HA LYS A 7 8.891 -13.198 1.546 1.00 1.09 H new ATOM 0 HB2 LYS A 7 11.352 -13.474 1.363 1.00 1.37 H new ATOM 0 HB3 LYS A 7 10.677 -12.623 -0.012 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.467 -11.261 0.374 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.323 -10.476 1.445 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.192 -11.846 3.347 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.363 -12.577 2.268 1.00 2.11 H new ATOM 0 HE2 LYS A 7 14.279 -10.288 1.769 1.00 2.79 H new ATOM 0 HE3 LYS A 7 13.154 -9.611 2.929 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.319 -9.959 3.909 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.172 -10.960 4.663 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 15.263 -11.616 3.539 1.00 3.24 H new ATOM 100 N THR A 8 9.754 -11.321 3.995 1.00 1.01 N ATOM 101 CA THR A 8 9.961 -11.327 5.431 1.00 1.08 C ATOM 102 C THR A 8 8.665 -11.698 6.161 1.00 0.93 C ATOM 103 O THR A 8 8.666 -11.946 7.367 1.00 1.03 O ATOM 104 CB THR A 8 10.510 -9.972 5.945 1.00 1.25 C ATOM 105 OG1 THR A 8 11.114 -10.151 7.232 1.00 2.05 O ATOM 106 CG2 THR A 8 9.415 -8.923 6.044 1.00 1.66 C ATOM 0 H THR A 8 9.588 -10.401 3.586 1.00 1.01 H new ATOM 0 HA THR A 8 10.715 -12.084 5.647 1.00 1.08 H new ATOM 0 HB THR A 8 11.252 -9.621 5.228 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.552 -10.740 7.778 1.00 2.05 H new ATOM 0 HG21 THR A 8 9.839 -7.987 6.408 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.974 -8.763 5.060 1.00 1.66 H new ATOM 0 HG23 THR A 8 8.645 -9.265 6.735 1.00 1.66 H new ATOM 114 N GLY A 9 7.562 -11.753 5.416 1.00 0.79 N ATOM 115 CA GLY A 9 6.290 -12.156 5.993 1.00 0.79 C ATOM 116 C GLY A 9 5.508 -10.990 6.563 1.00 0.69 C ATOM 117 O GLY A 9 4.556 -11.183 7.322 1.00 0.88 O ATOM 0 H GLY A 9 7.527 -11.525 4.422 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.690 -12.651 5.229 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.469 -12.887 6.781 1.00 0.79 H new ATOM 121 N SER A 10 5.896 -9.779 6.193 1.00 0.61 N ATOM 122 CA SER A 10 5.252 -8.581 6.712 1.00 0.73 C ATOM 123 C SER A 10 3.929 -8.309 6.006 1.00 0.64 C ATOM 124 O SER A 10 3.005 -7.745 6.592 1.00 0.73 O ATOM 125 CB SER A 10 6.189 -7.386 6.558 1.00 0.96 C ATOM 126 OG SER A 10 6.739 -7.343 5.252 1.00 1.72 O ATOM 0 H SER A 10 6.654 -9.599 5.535 1.00 0.61 H new ATOM 0 HA SER A 10 5.036 -8.740 7.769 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.645 -6.463 6.759 1.00 0.96 H new ATOM 0 HB3 SER A 10 6.991 -7.450 7.293 1.00 0.96 H new ATOM 0 HG SER A 10 7.335 -6.569 5.173 1.00 1.72 H new ATOM 132 N CYS A 11 3.837 -8.716 4.752 1.00 0.52 N ATOM 133 CA CYS A 11 2.636 -8.476 3.972 1.00 0.44 C ATOM 134 C CYS A 11 2.144 -9.768 3.332 1.00 0.41 C ATOM 135 O CYS A 11 2.939 -10.592 2.873 1.00 0.43 O ATOM 136 CB CYS A 11 2.921 -7.429 2.895 1.00 0.41 C ATOM 137 SG CYS A 11 1.455 -6.916 1.942 1.00 1.19 S ATOM 0 H CYS A 11 4.576 -9.212 4.254 1.00 0.52 H new ATOM 0 HA CYS A 11 1.855 -8.105 4.636 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.359 -6.550 3.367 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.667 -7.827 2.207 1.00 0.41 H new ATOM 142 N ASN A 12 0.828 -9.931 3.297 1.00 0.46 N ATOM 143 CA ASN A 12 0.217 -11.139 2.756 1.00 0.53 C ATOM 144 C ASN A 12 -0.119 -10.991 1.276 1.00 0.47 C ATOM 145 O ASN A 12 -0.217 -11.981 0.555 1.00 0.57 O ATOM 146 CB ASN A 12 -1.046 -11.512 3.546 1.00 0.69 C ATOM 147 CG ASN A 12 -2.161 -10.491 3.418 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.010 -10.594 2.534 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.179 -9.506 4.303 1.00 1.03 N ATOM 0 H ASN A 12 0.161 -9.239 3.638 1.00 0.46 H new ATOM 0 HA ASN A 12 0.949 -11.940 2.856 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.409 -12.480 3.201 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.787 -11.626 4.599 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.914 -8.800 4.265 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.458 -9.453 5.022 1.00 1.03 H new ATOM 156 N THR A 13 -0.303 -9.758 0.823 1.00 0.38 N ATOM 157 CA THR A 13 -0.746 -9.517 -0.543 1.00 0.37 C ATOM 158 C THR A 13 0.415 -9.196 -1.474 1.00 0.35 C ATOM 159 O THR A 13 0.378 -9.518 -2.662 1.00 0.44 O ATOM 160 CB THR A 13 -1.756 -8.359 -0.586 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.218 -7.232 0.118 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.083 -8.771 0.033 1.00 0.52 C ATOM 0 H THR A 13 -0.154 -8.915 1.377 1.00 0.38 H new ATOM 0 HA THR A 13 -1.218 -10.437 -0.887 1.00 0.37 H new ATOM 0 HB THR A 13 -1.936 -8.091 -1.627 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.892 -6.522 0.163 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.780 -7.934 -0.010 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.496 -9.615 -0.519 1.00 0.52 H new ATOM 0 HG23 THR A 13 -2.926 -9.059 1.072 1.00 0.52 H new ATOM 170 N GLY A 14 1.450 -8.573 -0.934 1.00 0.29 N ATOM 171 CA GLY A 14 2.571 -8.162 -1.754 1.00 0.31 C ATOM 172 C GLY A 14 2.442 -6.720 -2.197 1.00 0.30 C ATOM 173 O GLY A 14 3.306 -6.194 -2.902 1.00 0.43 O ATOM 0 H GLY A 14 1.535 -8.344 0.056 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.497 -8.289 -1.194 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.637 -8.807 -2.630 1.00 0.31 H new ATOM 177 N LYS A 15 1.357 -6.081 -1.781 1.00 0.24 N ATOM 178 CA LYS A 15 1.118 -4.682 -2.107 1.00 0.25 C ATOM 179 C LYS A 15 1.665 -3.780 -1.006 1.00 0.24 C ATOM 180 O LYS A 15 0.953 -3.437 -0.062 1.00 0.25 O ATOM 181 CB LYS A 15 -0.381 -4.420 -2.286 1.00 0.31 C ATOM 182 CG LYS A 15 -0.986 -5.036 -3.539 1.00 0.41 C ATOM 183 CD LYS A 15 -2.484 -4.776 -3.604 1.00 0.57 C ATOM 184 CE LYS A 15 -3.068 -5.117 -4.967 1.00 0.69 C ATOM 185 NZ LYS A 15 -2.955 -6.563 -5.289 1.00 1.64 N ATOM 0 H LYS A 15 0.626 -6.511 -1.215 1.00 0.24 H new ATOM 0 HA LYS A 15 1.632 -4.459 -3.042 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.911 -4.806 -1.415 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.548 -3.343 -2.309 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.502 -4.621 -4.423 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.799 -6.110 -3.548 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -2.987 -5.365 -2.837 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.679 -3.727 -3.379 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.117 -4.823 -4.993 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.555 -4.536 -5.734 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -3.470 -6.764 -6.170 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -1.953 -6.815 -5.409 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.363 -7.124 -4.514 1.00 1.64 H new ATOM 199 N LEU A 16 2.931 -3.409 -1.124 1.00 0.26 N ATOM 200 CA LEU A 16 3.556 -2.527 -0.161 1.00 0.30 C ATOM 201 C LEU A 16 3.660 -1.116 -0.719 1.00 0.33 C ATOM 202 O LEU A 16 4.553 -0.816 -1.512 1.00 0.55 O ATOM 203 CB LEU A 16 4.948 -3.039 0.220 1.00 0.35 C ATOM 204 CG LEU A 16 4.973 -4.278 1.116 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.442 -5.484 0.378 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.379 -4.545 1.627 1.00 0.43 C ATOM 0 H LEU A 16 3.544 -3.709 -1.882 1.00 0.26 H new ATOM 0 HA LEU A 16 2.933 -2.509 0.733 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.496 -3.263 -0.695 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.485 -2.236 0.725 1.00 0.35 H new ATOM 0 HG LEU A 16 4.326 -4.088 1.973 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.469 -6.354 1.035 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.414 -5.297 0.066 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.059 -5.674 -0.501 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.373 -5.431 2.262 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.048 -4.709 0.782 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.726 -3.687 2.204 1.00 0.43 H new ATOM 218 N ALA A 17 2.744 -0.257 -0.317 1.00 0.27 N ATOM 219 CA ALA A 17 2.762 1.121 -0.772 1.00 0.27 C ATOM 220 C ALA A 17 3.401 2.019 0.270 1.00 0.24 C ATOM 221 O ALA A 17 3.371 1.727 1.471 1.00 0.28 O ATOM 222 CB ALA A 17 1.361 1.612 -1.100 1.00 0.29 C ATOM 0 H ALA A 17 1.981 -0.486 0.320 1.00 0.27 H new ATOM 0 HA ALA A 17 3.358 1.161 -1.684 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.408 2.647 -1.438 1.00 0.29 H new ATOM 0 HB2 ALA A 17 0.933 0.992 -1.888 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.736 1.549 -0.209 1.00 0.29 H new ATOM 228 N CYS A 18 4.006 3.093 -0.204 1.00 0.26 N ATOM 229 CA CYS A 18 4.574 4.095 0.668 1.00 0.26 C ATOM 230 C CYS A 18 3.477 5.060 1.081 1.00 0.24 C ATOM 231 O CYS A 18 3.101 5.948 0.314 1.00 0.32 O ATOM 232 CB CYS A 18 5.692 4.838 -0.056 1.00 0.36 C ATOM 233 SG CYS A 18 6.777 5.792 1.039 1.00 0.74 S ATOM 0 H CYS A 18 4.115 3.291 -1.199 1.00 0.26 H new ATOM 0 HA CYS A 18 4.995 3.623 1.555 1.00 0.26 H new ATOM 0 HB2 CYS A 18 6.294 4.117 -0.608 1.00 0.36 H new ATOM 0 HB3 CYS A 18 5.250 5.512 -0.789 1.00 0.36 H new ATOM 238 N CYS A 19 2.955 4.886 2.282 1.00 0.21 N ATOM 239 CA CYS A 19 1.762 5.604 2.686 1.00 0.21 C ATOM 240 C CYS A 19 1.973 6.358 3.984 1.00 0.23 C ATOM 241 O CYS A 19 2.772 5.957 4.832 1.00 0.30 O ATOM 242 CB CYS A 19 0.598 4.630 2.846 1.00 0.23 C ATOM 243 SG CYS A 19 0.261 3.617 1.372 1.00 0.50 S ATOM 0 H CYS A 19 3.336 4.258 2.990 1.00 0.21 H new ATOM 0 HA CYS A 19 1.534 6.331 1.906 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.806 3.969 3.687 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.300 5.194 3.098 1.00 0.23 H new ATOM 248 N ASP A 20 1.255 7.462 4.125 1.00 0.23 N ATOM 249 CA ASP A 20 1.235 8.197 5.372 1.00 0.28 C ATOM 250 C ASP A 20 0.061 7.702 6.196 1.00 0.28 C ATOM 251 O ASP A 20 -1.053 7.620 5.689 1.00 0.34 O ATOM 252 CB ASP A 20 1.067 9.693 5.135 1.00 0.37 C ATOM 253 CG ASP A 20 1.468 10.504 6.347 1.00 1.01 C ATOM 254 OD1 ASP A 20 0.594 10.812 7.174 1.00 1.65 O ATOM 255 OD2 ASP A 20 2.667 10.833 6.486 1.00 1.33 O ATOM 0 H ASP A 20 0.679 7.866 3.387 1.00 0.23 H new ATOM 0 HA ASP A 20 2.182 8.036 5.888 1.00 0.28 H new ATOM 0 HB2 ASP A 20 1.671 9.995 4.280 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.028 9.906 4.883 1.00 0.37 H new ATOM 260 N THR A 21 0.297 7.373 7.447 1.00 0.31 N ATOM 261 CA THR A 21 -0.756 6.825 8.282 1.00 0.36 C ATOM 262 C THR A 21 -1.580 7.928 8.936 1.00 0.42 C ATOM 263 O THR A 21 -2.572 7.657 9.616 1.00 0.52 O ATOM 264 CB THR A 21 -0.178 5.899 9.362 1.00 0.41 C ATOM 265 OG1 THR A 21 0.790 6.601 10.153 1.00 0.41 O ATOM 266 CG2 THR A 21 0.473 4.679 8.730 1.00 0.43 C ATOM 0 H THR A 21 1.201 7.473 7.909 1.00 0.31 H new ATOM 0 HA THR A 21 -1.411 6.244 7.632 1.00 0.36 H new ATOM 0 HB THR A 21 -0.998 5.572 10.002 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.150 6.000 10.839 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.876 4.036 9.512 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.270 4.128 8.154 1.00 0.43 H new ATOM 0 HG23 THR A 21 1.280 4.998 8.070 1.00 0.43 H new ATOM 274 N ASN A 22 -1.177 9.173 8.720 1.00 0.43 N ATOM 275 CA ASN A 22 -1.879 10.310 9.285 1.00 0.56 C ATOM 276 C ASN A 22 -2.659 11.027 8.193 1.00 0.50 C ATOM 277 O ASN A 22 -3.781 11.485 8.409 1.00 0.63 O ATOM 278 CB ASN A 22 -0.891 11.267 9.953 1.00 0.70 C ATOM 279 CG ASN A 22 -0.154 10.627 11.114 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.912 10.032 10.939 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.712 10.747 12.309 1.00 2.20 N ATOM 0 H ASN A 22 -0.364 9.418 8.155 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.577 9.956 10.043 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.168 11.611 9.214 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.427 12.147 10.308 1.00 0.70 H new ATOM 0 HD21 ASN A 22 -0.259 10.339 13.127 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.595 11.247 12.412 1.00 2.20 H new ATOM 288 N LYS A 23 -2.050 11.123 7.017 1.00 0.40 N ATOM 289 CA LYS A 23 -2.723 11.643 5.844 1.00 0.39 C ATOM 290 C LYS A 23 -3.700 10.624 5.310 1.00 0.32 C ATOM 291 O LYS A 23 -3.380 9.451 5.127 1.00 0.39 O ATOM 292 CB LYS A 23 -1.727 12.029 4.758 1.00 0.47 C ATOM 293 CG LYS A 23 -1.145 13.416 4.928 1.00 0.95 C ATOM 294 CD LYS A 23 -0.465 13.889 3.661 1.00 1.53 C ATOM 295 CE LYS A 23 0.679 12.966 3.317 1.00 1.84 C ATOM 296 NZ LYS A 23 1.247 13.240 1.971 1.00 2.60 N ATOM 0 H LYS A 23 -1.083 10.843 6.855 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.265 12.541 6.140 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -0.914 11.303 4.749 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.220 11.968 3.788 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.937 14.114 5.200 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.427 13.413 5.748 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.182 13.915 2.841 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.096 14.906 3.794 1.00 1.53 H new ATOM 0 HE2 LYS A 23 1.463 13.070 4.067 1.00 1.84 H new ATOM 0 HE3 LYS A 23 0.333 11.933 3.358 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 2.029 12.580 1.783 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 0.508 13.115 1.250 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.603 14.217 1.937 1.00 2.60 H new ATOM 310 N LYS A 24 -4.884 11.100 5.046 1.00 0.49 N ATOM 311 CA LYS A 24 -5.997 10.237 4.700 1.00 0.49 C ATOM 312 C LYS A 24 -6.596 10.638 3.361 1.00 0.45 C ATOM 313 O LYS A 24 -6.464 11.785 2.932 1.00 0.48 O ATOM 314 CB LYS A 24 -7.082 10.322 5.772 1.00 0.61 C ATOM 315 CG LYS A 24 -6.608 10.046 7.192 1.00 0.91 C ATOM 316 CD LYS A 24 -6.054 8.639 7.348 1.00 1.32 C ATOM 317 CE LYS A 24 -7.079 7.570 6.980 1.00 1.88 C ATOM 318 NZ LYS A 24 -8.286 7.611 7.851 1.00 2.17 N ATOM 0 H LYS A 24 -5.113 12.094 5.062 1.00 0.49 H new ATOM 0 HA LYS A 24 -5.621 9.216 4.633 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.525 11.317 5.740 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -7.872 9.613 5.525 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -5.840 10.770 7.464 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.438 10.187 7.884 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.172 8.526 6.718 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -5.731 8.490 8.378 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.380 7.703 5.941 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.615 6.586 7.054 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -8.919 6.824 7.604 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -7.999 7.525 8.847 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -8.784 8.513 7.711 1.00 2.17 H new ATOM 332 N VAL A 25 -7.264 9.697 2.712 1.00 0.46 N ATOM 333 CA VAL A 25 -7.961 9.980 1.466 1.00 0.50 C ATOM 334 C VAL A 25 -9.446 9.684 1.639 1.00 0.56 C ATOM 335 O VAL A 25 -9.823 8.748 2.344 1.00 0.57 O ATOM 336 CB VAL A 25 -7.429 9.132 0.287 1.00 0.47 C ATOM 337 CG1 VAL A 25 -7.747 9.803 -1.040 1.00 0.59 C ATOM 338 CG2 VAL A 25 -5.936 8.860 0.413 1.00 0.44 C ATOM 0 H VAL A 25 -7.339 8.730 3.027 1.00 0.46 H new ATOM 0 HA VAL A 25 -7.791 11.031 1.233 1.00 0.50 H new ATOM 0 HB VAL A 25 -7.937 8.168 0.320 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -7.365 9.192 -1.858 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -8.827 9.913 -1.143 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.278 10.786 -1.072 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -5.602 8.262 -0.435 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.394 9.805 0.426 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -5.742 8.318 1.338 1.00 0.44 H new ATOM 348 N GLN A 26 -10.282 10.488 0.999 1.00 0.66 N ATOM 349 CA GLN A 26 -11.724 10.307 1.061 1.00 0.78 C ATOM 350 C GLN A 26 -12.167 9.225 0.087 1.00 0.75 C ATOM 351 O GLN A 26 -13.257 8.669 0.204 1.00 0.87 O ATOM 352 CB GLN A 26 -12.425 11.618 0.727 1.00 0.97 C ATOM 353 CG GLN A 26 -12.327 12.662 1.826 1.00 1.71 C ATOM 354 CD GLN A 26 -12.928 13.991 1.419 1.00 2.23 C ATOM 355 OE1 GLN A 26 -14.119 14.237 1.619 1.00 2.62 O ATOM 356 NE2 GLN A 26 -12.109 14.858 0.847 1.00 2.83 N ATOM 0 H GLN A 26 -9.983 11.278 0.427 1.00 0.66 H new ATOM 0 HA GLN A 26 -11.993 10.000 2.072 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -11.996 12.026 -0.188 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -13.477 11.416 0.524 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -12.835 12.295 2.718 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -11.280 12.807 2.093 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -11.130 14.614 0.700 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -12.457 15.771 0.553 1.00 2.83 H new ATOM 365 N LYS A 27 -11.308 8.946 -0.877 1.00 0.96 N ATOM 366 CA LYS A 27 -11.580 7.945 -1.891 1.00 1.06 C ATOM 367 C LYS A 27 -11.304 6.550 -1.345 1.00 0.94 C ATOM 368 O LYS A 27 -10.182 6.243 -0.957 1.00 1.56 O ATOM 369 CB LYS A 27 -10.705 8.223 -3.112 1.00 1.81 C ATOM 370 CG LYS A 27 -10.947 9.595 -3.719 1.00 2.36 C ATOM 371 CD LYS A 27 -12.151 9.597 -4.643 1.00 2.79 C ATOM 372 CE LYS A 27 -11.782 9.124 -6.040 1.00 3.33 C ATOM 373 NZ LYS A 27 -11.409 7.684 -6.086 1.00 4.07 N ATOM 0 H LYS A 27 -10.404 9.407 -0.978 1.00 0.96 H new ATOM 0 HA LYS A 27 -12.630 7.994 -2.179 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -9.656 8.138 -2.827 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -10.893 7.460 -3.867 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -11.099 10.323 -2.922 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -10.062 9.909 -4.273 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -12.927 8.951 -4.232 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -12.568 10.603 -4.697 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.624 9.297 -6.711 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -10.950 9.721 -6.412 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -11.562 7.316 -7.047 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -10.407 7.577 -5.830 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -11.997 7.151 -5.414 1.00 4.07 H new ATOM 387 N SER A 28 -12.329 5.719 -1.310 1.00 0.83 N ATOM 388 CA SER A 28 -12.193 4.360 -0.816 1.00 1.35 C ATOM 389 C SER A 28 -13.092 3.434 -1.623 1.00 1.17 C ATOM 390 O SER A 28 -14.315 3.568 -1.598 1.00 1.46 O ATOM 391 CB SER A 28 -12.552 4.305 0.675 1.00 2.09 C ATOM 392 OG SER A 28 -12.277 3.031 1.236 1.00 2.46 O ATOM 0 H SER A 28 -13.270 5.962 -1.619 1.00 0.83 H new ATOM 0 HA SER A 28 -11.160 4.032 -0.930 1.00 1.35 H new ATOM 0 HB2 SER A 28 -11.989 5.068 1.213 1.00 2.09 H new ATOM 0 HB3 SER A 28 -13.609 4.538 0.803 1.00 2.09 H new ATOM 0 HG SER A 28 -11.972 3.140 2.161 1.00 2.46 H new ATOM 398 N THR A 29 -12.483 2.530 -2.377 1.00 1.02 N ATOM 399 CA THR A 29 -13.233 1.586 -3.194 1.00 1.07 C ATOM 400 C THR A 29 -12.437 0.299 -3.390 1.00 1.17 C ATOM 401 O THR A 29 -12.668 -0.693 -2.697 1.00 2.00 O ATOM 402 CB THR A 29 -13.596 2.196 -4.568 1.00 1.24 C ATOM 403 OG1 THR A 29 -14.209 3.480 -4.387 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.553 1.290 -5.328 1.00 1.64 C ATOM 0 H THR A 29 -11.470 2.430 -2.440 1.00 1.02 H new ATOM 0 HA THR A 29 -14.159 1.356 -2.667 1.00 1.07 H new ATOM 0 HB THR A 29 -12.677 2.302 -5.144 1.00 1.24 H new ATOM 0 HG1 THR A 29 -14.435 3.861 -5.261 1.00 1.64 H new ATOM 0 HG21 THR A 29 -14.793 1.741 -6.291 1.00 1.64 H new ATOM 0 HG22 THR A 29 -14.085 0.319 -5.489 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.468 1.160 -4.750 1.00 1.64 H new ATOM 412 N GLY A 30 -11.494 0.325 -4.316 1.00 0.96 N ATOM 413 CA GLY A 30 -10.677 -0.845 -4.578 1.00 1.02 C ATOM 414 C GLY A 30 -11.172 -1.636 -5.772 1.00 1.05 C ATOM 415 O GLY A 30 -12.380 -1.766 -5.979 1.00 1.39 O ATOM 0 H GLY A 30 -11.277 1.137 -4.894 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.647 -0.534 -4.752 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.672 -1.487 -3.697 1.00 1.02 H new ATOM 419 N GLU A 31 -10.248 -2.155 -6.569 1.00 1.00 N ATOM 420 CA GLU A 31 -10.611 -2.940 -7.743 1.00 1.18 C ATOM 421 C GLU A 31 -10.581 -4.430 -7.437 1.00 0.94 C ATOM 422 O GLU A 31 -11.517 -5.157 -7.768 1.00 1.04 O ATOM 423 CB GLU A 31 -9.684 -2.637 -8.921 1.00 1.63 C ATOM 424 CG GLU A 31 -9.892 -1.257 -9.521 1.00 2.14 C ATOM 425 CD GLU A 31 -9.170 -1.087 -10.841 1.00 2.60 C ATOM 426 OE1 GLU A 31 -8.063 -0.501 -10.845 1.00 2.90 O ATOM 427 OE2 GLU A 31 -9.701 -1.532 -11.878 1.00 3.06 O ATOM 0 H GLU A 31 -9.244 -2.048 -6.425 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.627 -2.658 -8.017 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.649 -2.728 -8.591 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -9.838 -3.388 -9.696 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -10.958 -1.085 -9.668 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -9.541 -0.501 -8.818 1.00 2.14 H new ATOM 434 N GLU A 32 -9.513 -4.885 -6.797 1.00 0.85 N ATOM 435 CA GLU A 32 -9.384 -6.292 -6.460 1.00 1.01 C ATOM 436 C GLU A 32 -10.149 -6.581 -5.180 1.00 1.08 C ATOM 437 O GLU A 32 -10.826 -7.601 -5.060 1.00 1.36 O ATOM 438 CB GLU A 32 -7.914 -6.693 -6.331 1.00 1.26 C ATOM 439 CG GLU A 32 -7.118 -6.440 -7.601 1.00 1.66 C ATOM 440 CD GLU A 32 -5.788 -7.162 -7.624 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.756 -8.341 -8.036 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.764 -6.562 -7.243 1.00 2.44 O ATOM 0 H GLU A 32 -8.729 -4.303 -6.503 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.811 -6.890 -7.265 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.462 -6.138 -5.509 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.852 -7.751 -6.074 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.709 -6.753 -8.461 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -6.945 -5.369 -7.706 1.00 1.66 H new ATOM 603 N GLN A 44 -12.726 0.451 4.994 1.00 0.64 N ATOM 604 CA GLN A 44 -11.383 0.322 4.442 1.00 0.45 C ATOM 605 C GLN A 44 -10.573 1.579 4.718 1.00 0.42 C ATOM 606 O GLN A 44 -11.033 2.696 4.480 1.00 0.57 O ATOM 607 CB GLN A 44 -11.414 0.095 2.936 1.00 0.42 C ATOM 608 CG GLN A 44 -12.422 -0.940 2.471 1.00 0.57 C ATOM 609 CD GLN A 44 -12.314 -1.230 0.986 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.612 -2.152 0.568 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.994 -0.435 0.177 1.00 1.18 N ATOM 0 HA GLN A 44 -10.923 -0.540 4.924 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -11.633 1.043 2.444 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.421 -0.212 2.608 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.273 -1.864 3.030 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.429 -0.589 2.697 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.564 0.318 0.562 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.948 -0.575 -0.832 1.00 1.18 H new ATOM 620 N VAL A 45 -9.371 1.385 5.207 1.00 0.33 N ATOM 621 CA VAL A 45 -8.525 2.499 5.597 1.00 0.36 C ATOM 622 C VAL A 45 -7.783 3.047 4.396 1.00 0.27 C ATOM 623 O VAL A 45 -6.829 2.442 3.908 1.00 0.33 O ATOM 624 CB VAL A 45 -7.516 2.098 6.694 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.674 3.293 7.118 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.241 1.503 7.889 1.00 1.37 C ATOM 0 H VAL A 45 -8.952 0.466 5.346 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.177 3.272 6.005 1.00 0.36 H new ATOM 0 HB VAL A 45 -6.847 1.342 6.284 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -5.970 2.986 7.892 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.124 3.674 6.258 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -7.324 4.076 7.509 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -7.515 1.225 8.654 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -8.935 2.238 8.297 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.794 0.618 7.575 1.00 1.37 H new ATOM 636 N ALA A 46 -8.249 4.182 3.917 1.00 0.24 N ATOM 637 CA ALA A 46 -7.649 4.841 2.778 1.00 0.21 C ATOM 638 C ALA A 46 -6.699 5.929 3.235 1.00 0.20 C ATOM 639 O ALA A 46 -7.120 7.022 3.622 1.00 0.30 O ATOM 640 CB ALA A 46 -8.724 5.424 1.885 1.00 0.29 C ATOM 0 H ALA A 46 -9.054 4.672 4.307 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.082 4.104 2.209 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.260 5.917 1.031 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.376 4.625 1.532 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.311 6.150 2.448 1.00 0.29 H new ATOM 646 N ILE A 47 -5.422 5.620 3.211 1.00 0.21 N ATOM 647 CA ILE A 47 -4.413 6.598 3.547 1.00 0.21 C ATOM 648 C ILE A 47 -3.692 7.052 2.293 1.00 0.20 C ATOM 649 O ILE A 47 -3.632 6.326 1.301 1.00 0.21 O ATOM 650 CB ILE A 47 -3.407 6.070 4.590 1.00 0.21 C ATOM 651 CG1 ILE A 47 -2.838 4.708 4.187 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.076 5.986 5.949 1.00 0.23 C ATOM 653 CD1 ILE A 47 -1.846 4.157 5.192 1.00 0.23 C ATOM 0 H ILE A 47 -5.058 4.700 2.963 1.00 0.21 H new ATOM 0 HA ILE A 47 -4.921 7.449 4.000 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.572 6.768 4.641 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.658 3.999 4.068 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.351 4.797 3.216 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.362 5.613 6.683 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.419 6.977 6.248 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -4.928 5.308 5.894 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.479 3.190 4.848 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.009 4.848 5.293 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.336 4.037 6.158 1.00 0.23 H new ATOM 665 N GLN A 48 -3.183 8.271 2.334 1.00 0.24 N ATOM 666 CA GLN A 48 -2.568 8.879 1.171 1.00 0.25 C ATOM 667 C GLN A 48 -1.189 8.306 0.954 1.00 0.22 C ATOM 668 O GLN A 48 -0.299 8.417 1.802 1.00 0.36 O ATOM 669 CB GLN A 48 -2.500 10.394 1.340 1.00 0.36 C ATOM 670 CG GLN A 48 -2.357 11.125 0.025 1.00 0.47 C ATOM 671 CD GLN A 48 -3.688 11.485 -0.602 1.00 1.43 C ATOM 672 OE1 GLN A 48 -4.671 11.738 0.094 1.00 2.38 O ATOM 673 NE2 GLN A 48 -3.727 11.508 -1.923 1.00 1.78 N ATOM 0 H GLN A 48 -3.185 8.861 3.166 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.177 8.658 0.294 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.402 10.739 1.846 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.657 10.646 1.984 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -1.778 12.035 0.183 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -1.791 10.504 -0.669 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.888 11.292 -2.462 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -4.596 11.742 -2.404 1.00 1.78 H new ATOM 682 N CYS A 49 -1.040 7.689 -0.192 1.00 0.26 N ATOM 683 CA CYS A 49 0.167 6.995 -0.542 1.00 0.25 C ATOM 684 C CYS A 49 0.853 7.686 -1.707 1.00 0.28 C ATOM 685 O CYS A 49 0.237 8.478 -2.422 1.00 0.32 O ATOM 686 CB CYS A 49 -0.175 5.558 -0.909 1.00 0.25 C ATOM 687 SG CYS A 49 -1.141 4.673 0.357 1.00 1.15 S ATOM 0 H CYS A 49 -1.762 7.656 -0.912 1.00 0.26 H new ATOM 0 HA CYS A 49 0.849 7.001 0.308 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.736 5.557 -1.844 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.750 5.012 -1.092 1.00 0.25 H new ATOM 692 N THR A 50 2.132 7.409 -1.873 1.00 0.28 N ATOM 693 CA THR A 50 2.895 7.967 -2.971 1.00 0.36 C ATOM 694 C THR A 50 4.174 7.166 -3.156 1.00 0.38 C ATOM 695 O THR A 50 4.829 6.797 -2.180 1.00 0.45 O ATOM 696 CB THR A 50 3.204 9.468 -2.747 1.00 0.46 C ATOM 697 OG1 THR A 50 3.801 10.034 -3.920 1.00 0.60 O ATOM 698 CG2 THR A 50 4.124 9.671 -1.554 1.00 0.54 C ATOM 0 H THR A 50 2.667 6.797 -1.257 1.00 0.28 H new ATOM 0 HA THR A 50 2.297 7.900 -3.880 1.00 0.36 H new ATOM 0 HB THR A 50 2.260 9.974 -2.542 1.00 0.46 H new ATOM 0 HG1 THR A 50 3.990 10.983 -3.766 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.322 10.735 -1.424 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.647 9.278 -0.656 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.064 9.146 -1.726 1.00 0.54 H new ATOM 706 N GLN A 51 4.526 6.869 -4.393 1.00 0.39 N ATOM 707 CA GLN A 51 5.676 6.039 -4.645 1.00 0.42 C ATOM 708 C GLN A 51 6.732 6.801 -5.430 1.00 0.42 C ATOM 709 O GLN A 51 6.564 7.090 -6.614 1.00 0.58 O ATOM 710 CB GLN A 51 5.263 4.772 -5.385 1.00 0.57 C ATOM 711 CG GLN A 51 6.328 3.691 -5.345 1.00 0.66 C ATOM 712 CD GLN A 51 6.626 3.213 -3.931 1.00 1.01 C ATOM 713 OE1 GLN A 51 5.751 3.233 -3.063 1.00 2.08 O ATOM 714 NE2 GLN A 51 7.857 2.772 -3.686 1.00 0.74 N ATOM 0 H GLN A 51 4.034 7.189 -5.227 1.00 0.39 H new ATOM 0 HA GLN A 51 6.110 5.754 -3.687 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.343 4.385 -4.947 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.042 5.019 -6.423 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.003 2.844 -5.950 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.244 4.072 -5.796 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.555 2.770 -4.429 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.102 2.436 -2.755 1.00 0.74 H new ATOM 723 N ILE A 52 7.804 7.145 -4.736 1.00 0.43 N ATOM 724 CA ILE A 52 8.955 7.803 -5.338 1.00 0.50 C ATOM 725 C ILE A 52 9.514 6.943 -6.476 1.00 0.56 C ATOM 726 O ILE A 52 9.544 5.716 -6.355 1.00 0.65 O ATOM 727 CB ILE A 52 10.034 8.043 -4.254 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.451 8.918 -3.141 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.285 8.688 -4.835 1.00 0.85 C ATOM 730 CD1 ILE A 52 10.424 9.225 -2.028 1.00 0.95 C ATOM 0 H ILE A 52 7.902 6.976 -3.735 1.00 0.43 H new ATOM 0 HA ILE A 52 8.651 8.764 -5.753 1.00 0.50 H new ATOM 0 HB ILE A 52 10.329 7.076 -3.846 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.103 9.856 -3.575 1.00 0.72 H new ATOM 0 HG13 ILE A 52 8.579 8.419 -2.720 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.018 8.840 -4.042 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.708 8.037 -5.600 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.026 9.649 -5.279 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.935 9.849 -1.279 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.754 8.294 -1.566 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.286 9.754 -2.434 1.00 0.95 H new ATOM 742 N PRO A 53 9.922 7.584 -7.600 1.00 0.66 N ATOM 743 CA PRO A 53 10.471 6.910 -8.783 1.00 0.80 C ATOM 744 C PRO A 53 11.304 5.682 -8.440 1.00 0.82 C ATOM 745 O PRO A 53 12.324 5.777 -7.757 1.00 0.87 O ATOM 746 CB PRO A 53 11.344 7.998 -9.396 1.00 0.95 C ATOM 747 CG PRO A 53 10.630 9.269 -9.089 1.00 0.85 C ATOM 748 CD PRO A 53 9.858 9.044 -7.809 1.00 0.70 C ATOM 0 HA PRO A 53 9.691 6.526 -9.441 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.346 7.992 -8.966 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.458 7.857 -10.471 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.337 10.090 -8.974 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.957 9.540 -9.903 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.304 9.586 -6.975 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.828 9.389 -7.899 1.00 0.70 H new ATOM 756 N LEU A 54 10.858 4.537 -8.932 1.00 0.90 N ATOM 757 CA LEU A 54 11.393 3.252 -8.519 1.00 0.96 C ATOM 758 C LEU A 54 12.825 3.026 -8.985 1.00 0.90 C ATOM 759 O LEU A 54 13.185 3.329 -10.127 1.00 1.03 O ATOM 760 CB LEU A 54 10.506 2.124 -9.050 1.00 1.27 C ATOM 761 CG LEU A 54 9.046 2.181 -8.600 1.00 1.07 C ATOM 762 CD1 LEU A 54 8.274 0.990 -9.144 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.962 2.224 -7.086 1.00 1.08 C ATOM 0 H LEU A 54 10.115 4.474 -9.628 1.00 0.90 H new ATOM 0 HA LEU A 54 11.402 3.253 -7.429 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.535 2.142 -10.139 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.930 1.170 -8.735 1.00 1.27 H new ATOM 0 HG LEU A 54 8.596 3.091 -8.997 1.00 1.07 H new ATOM 0 HD11 LEU A 54 7.237 1.047 -8.814 1.00 1.67 H new ATOM 0 HD12 LEU A 54 8.309 1.001 -10.233 1.00 1.67 H new ATOM 0 HD13 LEU A 54 8.722 0.067 -8.776 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.916 2.264 -6.781 1.00 1.08 H new ATOM 0 HD22 LEU A 54 9.427 1.330 -6.670 1.00 1.08 H new ATOM 0 HD23 LEU A 54 9.482 3.108 -6.718 1.00 1.08 H new ATOM 775 N LEU A 55 13.631 2.502 -8.078 1.00 0.88 N ATOM 776 CA LEU A 55 14.936 1.976 -8.403 1.00 0.96 C ATOM 777 C LEU A 55 14.827 0.461 -8.439 1.00 0.93 C ATOM 778 O LEU A 55 14.661 -0.180 -7.401 1.00 0.85 O ATOM 779 CB LEU A 55 15.968 2.408 -7.359 1.00 1.08 C ATOM 780 CG LEU A 55 16.235 3.912 -7.285 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.168 4.229 -6.127 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.824 4.412 -8.594 1.00 1.58 C ATOM 0 H LEU A 55 13.392 2.431 -7.089 1.00 0.88 H new ATOM 0 HA LEU A 55 15.265 2.359 -9.369 1.00 0.96 H new ATOM 0 HB2 LEU A 55 15.634 2.067 -6.379 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.908 1.899 -7.570 1.00 1.08 H new ATOM 0 HG LEU A 55 15.287 4.423 -7.115 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.348 5.303 -6.088 1.00 1.52 H new ATOM 0 HD12 LEU A 55 16.711 3.904 -5.192 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.115 3.708 -6.269 1.00 1.52 H new ATOM 0 HD21 LEU A 55 17.008 5.484 -8.524 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.763 3.895 -8.792 1.00 1.58 H new ATOM 0 HD23 LEU A 55 16.124 4.216 -9.406 1.00 1.58 H new ATOM 794 N ILE A 56 14.910 -0.104 -9.634 1.00 1.10 N ATOM 795 CA ILE A 56 14.615 -1.517 -9.832 1.00 1.16 C ATOM 796 C ILE A 56 15.470 -2.395 -8.931 1.00 1.07 C ATOM 797 O ILE A 56 16.700 -2.293 -8.918 1.00 1.14 O ATOM 798 CB ILE A 56 14.836 -1.962 -11.286 1.00 1.45 C ATOM 799 CG1 ILE A 56 14.248 -0.940 -12.265 1.00 1.68 C ATOM 800 CG2 ILE A 56 14.209 -3.332 -11.510 1.00 1.58 C ATOM 801 CD1 ILE A 56 14.532 -1.260 -13.716 1.00 2.11 C ATOM 0 H ILE A 56 15.179 0.394 -10.483 1.00 1.10 H new ATOM 0 HA ILE A 56 13.561 -1.636 -9.579 1.00 1.16 H new ATOM 0 HB ILE A 56 15.909 -2.027 -11.469 1.00 1.45 H new ATOM 0 HG12 ILE A 56 13.169 -0.887 -12.118 1.00 1.68 H new ATOM 0 HG13 ILE A 56 14.650 0.046 -12.033 1.00 1.68 H new ATOM 0 HG21 ILE A 56 14.370 -3.641 -12.543 1.00 1.58 H new ATOM 0 HG22 ILE A 56 14.669 -4.057 -10.839 1.00 1.58 H new ATOM 0 HG23 ILE A 56 13.139 -3.280 -11.309 1.00 1.58 H new ATOM 0 HD11 ILE A 56 14.086 -0.495 -14.351 1.00 2.11 H new ATOM 0 HD12 ILE A 56 15.609 -1.284 -13.879 1.00 2.11 H new ATOM 0 HD13 ILE A 56 14.105 -2.232 -13.965 1.00 2.11 H new ATOM 813 N GLY A 57 14.805 -3.250 -8.185 1.00 1.03 N ATOM 814 CA GLY A 57 15.493 -4.172 -7.309 1.00 1.00 C ATOM 815 C GLY A 57 15.519 -3.712 -5.863 1.00 0.86 C ATOM 816 O GLY A 57 16.000 -4.436 -4.991 1.00 0.90 O ATOM 0 H GLY A 57 13.788 -3.326 -8.168 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.009 -5.147 -7.365 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.516 -4.303 -7.661 1.00 1.00 H new ATOM 820 N ILE A 58 15.012 -2.516 -5.597 1.00 0.77 N ATOM 821 CA ILE A 58 15.011 -1.985 -4.241 1.00 0.66 C ATOM 822 C ILE A 58 13.668 -2.186 -3.550 1.00 0.61 C ATOM 823 O ILE A 58 12.614 -2.241 -4.186 1.00 0.69 O ATOM 824 CB ILE A 58 15.436 -0.492 -4.209 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.883 -0.381 -3.725 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.514 0.357 -3.336 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.082 -0.848 -2.295 1.00 0.71 C ATOM 0 H ILE A 58 14.599 -1.899 -6.296 1.00 0.77 H new ATOM 0 HA ILE A 58 15.754 -2.554 -3.682 1.00 0.66 H new ATOM 0 HB ILE A 58 15.356 -0.102 -5.224 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.524 -0.968 -4.383 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.207 0.657 -3.808 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.854 1.392 -3.347 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.497 0.305 -3.724 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.532 -0.020 -2.313 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.131 -0.741 -2.020 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.468 -0.245 -1.626 1.00 0.71 H new ATOM 0 HD13 ILE A 58 16.790 -1.895 -2.210 1.00 0.71 H new ATOM 839 N ALA A 59 13.741 -2.301 -2.235 1.00 0.57 N ATOM 840 CA ALA A 59 12.590 -2.570 -1.397 1.00 0.59 C ATOM 841 C ALA A 59 11.890 -1.283 -0.965 1.00 0.49 C ATOM 842 O ALA A 59 12.549 -0.269 -0.738 1.00 0.50 O ATOM 843 CB ALA A 59 13.051 -3.339 -0.181 1.00 0.68 C ATOM 0 H ALA A 59 14.613 -2.209 -1.715 1.00 0.57 H new ATOM 0 HA ALA A 59 11.869 -3.154 -1.970 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.196 -3.550 0.462 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.509 -4.277 -0.496 1.00 0.68 H new ATOM 0 HB3 ALA A 59 13.781 -2.746 0.370 1.00 0.68 H new ATOM 849 N ILE A 60 10.565 -1.341 -0.853 1.00 0.46 N ATOM 850 CA ILE A 60 9.724 -0.181 -0.515 1.00 0.42 C ATOM 851 C ILE A 60 10.339 0.710 0.577 1.00 0.40 C ATOM 852 O ILE A 60 10.419 1.932 0.421 1.00 0.39 O ATOM 853 CB ILE A 60 8.326 -0.671 -0.046 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.438 0.499 0.380 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.458 -1.672 1.095 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.085 1.432 -0.750 1.00 0.69 C ATOM 0 H ILE A 60 10.034 -2.200 -0.995 1.00 0.46 H new ATOM 0 HA ILE A 60 9.641 0.424 -1.418 1.00 0.42 H new ATOM 0 HB ILE A 60 7.852 -1.166 -0.894 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.519 0.107 0.816 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.946 1.064 1.161 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.467 -2.001 1.407 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.037 -2.532 0.759 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.965 -1.200 1.937 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.454 2.237 -0.374 1.00 0.69 H new ATOM 0 HD12 ILE A 60 7.997 1.853 -1.172 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.548 0.881 -1.522 1.00 0.69 H new ATOM 868 N GLU A 61 10.820 0.085 1.646 1.00 0.49 N ATOM 869 CA GLU A 61 11.217 0.810 2.846 1.00 0.60 C ATOM 870 C GLU A 61 12.495 1.626 2.650 1.00 0.58 C ATOM 871 O GLU A 61 12.733 2.591 3.372 1.00 0.71 O ATOM 872 CB GLU A 61 11.334 -0.146 4.048 1.00 0.83 C ATOM 873 CG GLU A 61 12.092 -1.452 3.795 1.00 0.73 C ATOM 874 CD GLU A 61 13.553 -1.257 3.450 1.00 1.47 C ATOM 875 OE1 GLU A 61 13.928 -1.498 2.286 1.00 2.20 O ATOM 876 OE2 GLU A 61 14.332 -0.857 4.342 1.00 1.82 O ATOM 0 H GLU A 61 10.944 -0.926 1.705 1.00 0.49 H new ATOM 0 HA GLU A 61 10.428 1.531 3.057 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.827 0.385 4.863 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.329 -0.393 4.390 1.00 0.83 H new ATOM 0 HG2 GLU A 61 12.019 -2.080 4.683 1.00 0.73 H new ATOM 0 HG3 GLU A 61 11.606 -1.991 2.982 1.00 0.73 H new ATOM 883 N ASP A 62 13.315 1.248 1.685 1.00 0.54 N ATOM 884 CA ASP A 62 14.511 2.022 1.375 1.00 0.60 C ATOM 885 C ASP A 62 14.315 2.776 0.067 1.00 0.51 C ATOM 886 O ASP A 62 15.133 3.610 -0.322 1.00 0.65 O ATOM 887 CB ASP A 62 15.742 1.118 1.300 1.00 0.75 C ATOM 888 CG ASP A 62 17.024 1.896 1.078 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.315 2.807 1.881 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.756 1.594 0.111 1.00 1.98 O ATOM 0 H ASP A 62 13.180 0.419 1.106 1.00 0.54 H new ATOM 0 HA ASP A 62 14.677 2.743 2.175 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.824 0.545 2.224 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.612 0.400 0.490 1.00 0.75 H new ATOM 895 N GLU A 63 13.213 2.482 -0.602 1.00 0.40 N ATOM 896 CA GLU A 63 12.854 3.176 -1.823 1.00 0.40 C ATOM 897 C GLU A 63 12.350 4.572 -1.492 1.00 0.34 C ATOM 898 O GLU A 63 12.660 5.548 -2.178 1.00 0.42 O ATOM 899 CB GLU A 63 11.766 2.407 -2.577 1.00 0.43 C ATOM 900 CG GLU A 63 11.484 2.961 -3.958 1.00 0.64 C ATOM 901 CD GLU A 63 12.669 2.823 -4.889 1.00 1.40 C ATOM 902 OE1 GLU A 63 13.603 3.653 -4.800 1.00 2.09 O ATOM 903 OE2 GLU A 63 12.670 1.886 -5.708 1.00 1.68 O ATOM 0 H GLU A 63 12.549 1.762 -0.316 1.00 0.40 H new ATOM 0 HA GLU A 63 13.739 3.246 -2.455 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.066 1.363 -2.667 1.00 0.43 H new ATOM 0 HB3 GLU A 63 10.847 2.425 -1.992 1.00 0.43 H new ATOM 0 HG2 GLU A 63 10.627 2.442 -4.386 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.211 4.013 -3.876 1.00 0.64 H new ATOM 910 N CYS A 64 11.593 4.662 -0.412 1.00 0.29 N ATOM 911 CA CYS A 64 10.938 5.902 -0.048 1.00 0.32 C ATOM 912 C CYS A 64 11.162 6.209 1.431 1.00 0.40 C ATOM 913 O CYS A 64 11.531 5.324 2.203 1.00 0.60 O ATOM 914 CB CYS A 64 9.450 5.777 -0.341 1.00 0.33 C ATOM 915 SG CYS A 64 8.542 4.815 0.905 1.00 0.47 S ATOM 0 H CYS A 64 11.418 3.888 0.228 1.00 0.29 H new ATOM 0 HA CYS A 64 11.359 6.721 -0.631 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.016 6.775 -0.405 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.318 5.309 -1.316 1.00 0.33 H new ATOM 920 N LYS A 65 10.931 7.459 1.828 1.00 0.43 N ATOM 921 CA LYS A 65 11.158 7.873 3.211 1.00 0.51 C ATOM 922 C LYS A 65 9.845 8.117 3.955 1.00 0.45 C ATOM 923 O LYS A 65 9.764 9.002 4.808 1.00 0.60 O ATOM 924 CB LYS A 65 12.014 9.138 3.255 1.00 0.69 C ATOM 925 CG LYS A 65 13.423 8.955 2.711 1.00 1.41 C ATOM 926 CD LYS A 65 14.271 8.073 3.617 1.00 1.33 C ATOM 927 CE LYS A 65 14.522 8.721 4.971 1.00 1.77 C ATOM 928 NZ LYS A 65 15.192 10.044 4.846 1.00 2.32 N ATOM 0 H LYS A 65 10.589 8.199 1.215 1.00 0.43 H new ATOM 0 HA LYS A 65 11.683 7.058 3.710 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.515 9.921 2.684 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.077 9.485 4.286 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.373 8.512 1.716 1.00 1.41 H new ATOM 0 HG3 LYS A 65 13.900 9.929 2.603 1.00 1.41 H new ATOM 0 HD2 LYS A 65 13.772 7.115 3.761 1.00 1.33 H new ATOM 0 HD3 LYS A 65 15.225 7.866 3.132 1.00 1.33 H new ATOM 0 HE2 LYS A 65 13.574 8.844 5.494 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.139 8.060 5.580 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 15.570 10.331 5.772 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.971 9.975 4.161 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 14.504 10.752 4.518 1.00 2.32 H new ATOM 942 N ASN A 66 8.817 7.346 3.627 1.00 0.35 N ATOM 943 CA ASN A 66 7.565 7.395 4.378 1.00 0.30 C ATOM 944 C ASN A 66 7.349 6.052 5.061 1.00 0.29 C ATOM 945 O ASN A 66 8.287 5.262 5.179 1.00 0.41 O ATOM 946 CB ASN A 66 6.364 7.726 3.484 1.00 0.36 C ATOM 947 CG ASN A 66 6.509 9.048 2.756 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.119 10.099 3.259 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.055 8.995 1.556 1.00 1.02 N ATOM 0 H ASN A 66 8.822 6.683 2.852 1.00 0.35 H new ATOM 0 HA ASN A 66 7.643 8.193 5.117 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.232 6.928 2.753 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.461 7.751 4.094 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.167 9.848 1.008 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.365 8.101 1.176 1.00 1.02 H new ATOM 956 N THR A 67 6.134 5.780 5.499 1.00 0.28 N ATOM 957 CA THR A 67 5.849 4.525 6.165 1.00 0.27 C ATOM 958 C THR A 67 5.497 3.434 5.154 1.00 0.25 C ATOM 959 O THR A 67 4.684 3.639 4.249 1.00 0.26 O ATOM 960 CB THR A 67 4.706 4.681 7.186 1.00 0.29 C ATOM 961 OG1 THR A 67 4.939 5.840 7.997 1.00 0.34 O ATOM 962 CG2 THR A 67 4.612 3.452 8.078 1.00 0.31 C ATOM 0 H THR A 67 5.335 6.407 5.406 1.00 0.28 H new ATOM 0 HA THR A 67 6.752 4.230 6.699 1.00 0.27 H new ATOM 0 HB THR A 67 3.768 4.793 6.642 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.210 5.938 8.644 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.799 3.582 8.792 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.419 2.571 7.465 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.550 3.321 8.617 1.00 0.31 H new ATOM 970 N PRO A 68 6.129 2.264 5.293 1.00 0.28 N ATOM 971 CA PRO A 68 5.839 1.109 4.463 1.00 0.30 C ATOM 972 C PRO A 68 4.583 0.409 4.952 1.00 0.25 C ATOM 973 O PRO A 68 4.468 0.086 6.134 1.00 0.28 O ATOM 974 CB PRO A 68 7.068 0.217 4.643 1.00 0.38 C ATOM 975 CG PRO A 68 7.657 0.598 5.963 1.00 0.45 C ATOM 976 CD PRO A 68 7.162 1.980 6.300 1.00 0.38 C ATOM 0 HA PRO A 68 5.657 1.365 3.419 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.792 -0.837 4.628 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.784 0.371 3.836 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.361 -0.113 6.734 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.746 0.582 5.915 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.752 2.018 7.309 1.00 0.38 H new ATOM 0 HD3 PRO A 68 7.969 2.711 6.256 1.00 0.38 H new ATOM 984 N THR A 69 3.631 0.193 4.066 1.00 0.23 N ATOM 985 CA THR A 69 2.364 -0.375 4.476 1.00 0.21 C ATOM 986 C THR A 69 1.952 -1.538 3.578 1.00 0.23 C ATOM 987 O THR A 69 2.241 -1.543 2.383 1.00 0.29 O ATOM 988 CB THR A 69 1.254 0.695 4.464 1.00 0.24 C ATOM 989 OG1 THR A 69 1.143 1.267 3.158 1.00 0.31 O ATOM 990 CG2 THR A 69 1.528 1.805 5.472 1.00 0.30 C ATOM 0 H THR A 69 3.709 0.399 3.070 1.00 0.23 H new ATOM 0 HA THR A 69 2.496 -0.749 5.491 1.00 0.21 H new ATOM 0 HB THR A 69 0.322 0.203 4.741 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.039 1.440 2.799 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.723 2.539 5.433 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.583 1.381 6.474 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.474 2.290 5.231 1.00 0.30 H new ATOM 998 N CYS A 70 1.299 -2.527 4.171 1.00 0.23 N ATOM 999 CA CYS A 70 0.734 -3.635 3.417 1.00 0.27 C ATOM 1000 C CYS A 70 -0.730 -3.348 3.117 1.00 0.22 C ATOM 1001 O CYS A 70 -1.565 -3.300 4.027 1.00 0.27 O ATOM 1002 CB CYS A 70 0.865 -4.949 4.196 1.00 0.38 C ATOM 1003 SG CYS A 70 0.107 -6.391 3.366 1.00 1.26 S ATOM 0 H CYS A 70 1.147 -2.584 5.178 1.00 0.23 H new ATOM 0 HA CYS A 70 1.284 -3.740 2.482 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.922 -5.155 4.364 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.405 -4.825 5.176 1.00 0.38 H new ATOM 1008 N CYS A 71 -1.031 -3.128 1.850 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.379 -2.784 1.433 1.00 0.19 C ATOM 1010 C CYS A 71 -3.127 -4.016 0.951 1.00 0.21 C ATOM 1011 O CYS A 71 -2.550 -4.914 0.335 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.333 -1.749 0.311 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.319 -0.288 0.690 1.00 0.29 S ATOM 0 H CYS A 71 -0.356 -3.182 1.087 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.903 -2.368 2.293 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.945 -2.223 -0.591 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.350 -1.425 0.088 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.417 -4.048 1.243 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.286 -5.100 0.777 1.00 0.24 C ATOM 1020 C GLU A 72 -5.724 -4.796 -0.658 1.00 0.25 C ATOM 1021 O GLU A 72 -6.089 -5.690 -1.423 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.464 -5.230 1.749 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.739 -5.722 1.117 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.723 -6.244 2.140 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.489 -5.436 2.703 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.718 -7.471 2.400 1.00 1.37 O ATOM 0 H GLU A 72 -4.885 -3.342 1.811 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.771 -6.061 0.754 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.184 -5.912 2.552 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.651 -4.259 2.207 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -8.200 -4.910 0.554 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.507 -6.513 0.403 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.638 -3.521 -1.013 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.881 -3.051 -2.375 1.00 0.24 C ATOM 1035 C ASP A 73 -5.263 -1.668 -2.512 1.00 0.22 C ATOM 1036 O ASP A 73 -5.092 -0.982 -1.510 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.387 -2.988 -2.667 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.707 -2.632 -4.108 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -7.716 -1.427 -4.441 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -7.941 -3.549 -4.916 1.00 1.03 O ATOM 0 H ASP A 73 -5.396 -2.776 -0.360 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.433 -3.741 -3.090 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.836 -3.953 -2.430 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.847 -2.252 -2.008 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.878 -1.270 -3.715 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.401 0.094 -3.926 1.00 0.30 C ATOM 1047 C VAL A 74 -5.022 0.668 -5.186 1.00 0.43 C ATOM 1048 O VAL A 74 -4.970 0.053 -6.251 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.861 0.207 -4.046 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.407 1.607 -3.672 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.149 -0.828 -3.191 1.00 1.07 C ATOM 0 H VAL A 74 -4.884 -1.858 -4.549 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.701 0.654 -3.040 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.595 0.010 -5.085 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.323 1.674 -3.760 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.871 2.331 -4.342 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.701 1.823 -2.645 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.071 -0.714 -3.304 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.421 -0.685 -2.145 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.444 -1.828 -3.509 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.599 1.845 -5.055 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.258 2.516 -6.162 1.00 0.46 C ATOM 1063 C GLU A 75 -5.311 3.483 -6.848 1.00 0.50 C ATOM 1064 O GLU A 75 -4.225 3.784 -6.337 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.485 3.285 -5.670 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.672 2.409 -5.316 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.482 1.982 -6.525 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -8.869 1.612 -7.552 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.728 1.994 -6.455 1.00 1.85 O ATOM 0 H GLU A 75 -5.625 2.366 -4.178 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.569 1.751 -6.874 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -7.205 3.869 -4.793 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.788 3.993 -6.441 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.317 1.521 -4.793 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.320 2.948 -4.625 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.750 3.978 -7.997 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.000 4.965 -8.771 1.00 0.65 C ATOM 1078 C ASP A 76 -3.603 4.458 -9.109 1.00 0.67 C ATOM 1079 O ASP A 76 -3.392 3.259 -9.282 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.924 6.289 -7.999 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.280 6.939 -7.845 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.978 6.657 -6.852 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.663 7.731 -8.730 1.00 1.15 O ATOM 0 H ASP A 76 -6.637 3.708 -8.422 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.525 5.133 -9.711 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.495 6.109 -7.013 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.252 6.972 -8.518 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.649 5.370 -9.210 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.255 4.998 -9.439 1.00 0.77 C ATOM 1090 C ASP A 77 -0.600 4.567 -8.120 1.00 0.67 C ATOM 1091 O ASP A 77 0.621 4.602 -7.962 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.493 6.171 -10.070 1.00 0.89 C ATOM 1093 CG ASP A 77 0.871 5.775 -10.606 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.931 4.993 -11.579 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.893 6.235 -10.049 1.00 2.12 O ATOM 0 H ASP A 77 -2.811 6.374 -9.137 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.220 4.155 -10.130 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.089 6.589 -10.882 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.370 6.959 -9.327 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.429 4.147 -7.173 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.932 3.738 -5.880 1.00 0.44 C ATOM 1102 C GLY A 78 -0.915 4.880 -4.885 1.00 0.33 C ATOM 1103 O GLY A 78 -0.151 4.860 -3.923 1.00 0.35 O ATOM 0 H GLY A 78 -2.441 4.083 -7.281 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.553 2.931 -5.493 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.077 3.339 -5.990 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.747 5.887 -5.127 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.814 7.045 -4.241 1.00 0.22 C ATOM 1109 C LEU A 79 -2.859 6.846 -3.159 1.00 0.19 C ATOM 1110 O LEU A 79 -2.852 7.533 -2.142 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.151 8.314 -5.013 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.209 8.662 -6.169 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -1.619 9.974 -6.814 1.00 1.10 C ATOM 1114 CD2 LEU A 79 0.232 8.729 -5.691 1.00 0.94 C ATOM 0 H LEU A 79 -2.382 5.926 -5.925 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.830 7.149 -3.784 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.162 8.218 -5.410 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.161 9.150 -4.314 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.282 7.872 -6.917 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -0.938 10.205 -7.633 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -2.635 9.888 -7.200 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -1.579 10.772 -6.073 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.882 8.978 -6.530 1.00 0.94 H new ATOM 0 HD22 LEU A 79 0.325 9.495 -4.921 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.524 7.763 -5.279 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.772 5.922 -3.391 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.833 5.662 -2.440 1.00 0.20 C ATOM 1128 C VAL A 80 -4.858 4.190 -2.083 1.00 0.20 C ATOM 1129 O VAL A 80 -5.343 3.361 -2.852 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.208 6.086 -2.993 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.302 5.832 -1.968 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.183 7.549 -3.407 1.00 0.33 C ATOM 0 H VAL A 80 -3.799 5.340 -4.229 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.632 6.254 -1.547 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.427 5.483 -3.874 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.264 6.138 -2.379 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.333 4.770 -1.725 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.094 6.405 -1.065 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.161 7.834 -3.795 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -5.942 8.168 -2.543 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.429 7.696 -4.180 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.312 3.867 -0.929 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.230 2.489 -0.520 1.00 0.21 C ATOM 1144 C GLY A 81 -5.380 2.081 0.370 1.00 0.20 C ATOM 1145 O GLY A 81 -5.863 2.872 1.179 1.00 0.26 O ATOM 0 H GLY A 81 -3.923 4.537 -0.266 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.215 1.851 -1.404 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.290 2.325 0.008 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.812 0.845 0.215 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.905 0.305 0.995 1.00 0.17 C ATOM 1151 C ILE A 82 -6.364 -0.597 2.088 1.00 0.17 C ATOM 1152 O ILE A 82 -5.684 -1.592 1.808 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.898 -0.493 0.112 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.886 0.442 -0.590 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.642 -1.539 0.928 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.248 1.334 -1.627 1.00 0.30 C ATOM 0 H ILE A 82 -5.414 0.188 -0.456 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.442 1.144 1.437 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.316 -1.009 -0.651 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.662 -0.156 -1.067 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.378 1.064 0.158 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.331 -2.082 0.281 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.927 -2.237 1.364 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.202 -1.049 1.724 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.010 1.967 -2.081 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.492 1.960 -1.153 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.781 0.720 -2.397 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.639 -0.221 3.329 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.290 -1.040 4.484 1.00 0.21 C ATOM 1170 C ASN A 83 -4.782 -1.224 4.584 1.00 0.22 C ATOM 1171 O ASN A 83 -4.294 -2.275 4.996 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.002 -2.397 4.407 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.443 -2.314 4.868 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.787 -1.499 5.730 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.297 -3.151 4.302 1.00 0.29 N ATOM 0 H ASN A 83 -7.107 0.654 3.564 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.623 -0.525 5.385 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.971 -2.764 3.381 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.467 -3.122 5.021 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.280 -3.138 4.574 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.972 -3.809 3.594 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.052 -0.186 4.204 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.598 -0.218 4.223 1.00 0.23 C ATOM 1184 C CYS A 84 -2.073 -0.112 5.646 1.00 0.25 C ATOM 1185 O CYS A 84 -1.942 0.980 6.193 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.033 0.918 3.375 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.618 0.927 1.658 1.00 0.81 S ATOM 0 H CYS A 84 -4.447 0.695 3.876 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.274 -1.171 3.805 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.294 1.868 3.841 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.945 0.851 3.376 1.00 0.26 H new ATOM 1192 N THR A 85 -1.787 -1.252 6.245 1.00 0.25 N ATOM 1193 CA THR A 85 -1.246 -1.285 7.588 1.00 0.28 C ATOM 1194 C THR A 85 0.269 -1.238 7.544 1.00 0.24 C ATOM 1195 O THR A 85 0.911 -2.006 6.827 1.00 0.23 O ATOM 1196 CB THR A 85 -1.713 -2.538 8.338 1.00 0.36 C ATOM 1197 OG1 THR A 85 -3.118 -2.728 8.119 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.443 -2.386 9.825 1.00 0.44 C ATOM 0 H THR A 85 -1.921 -2.170 5.820 1.00 0.25 H new ATOM 0 HA THR A 85 -1.614 -0.410 8.124 1.00 0.28 H new ATOM 0 HB THR A 85 -1.165 -3.404 7.966 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.418 -3.530 8.596 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.778 -3.281 10.349 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.374 -2.249 9.989 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.983 -1.519 10.206 1.00 0.44 H new ATOM 1206 N PRO A 86 0.843 -0.309 8.304 1.00 0.26 N ATOM 1207 CA PRO A 86 2.273 -0.066 8.321 1.00 0.28 C ATOM 1208 C PRO A 86 3.051 -1.195 8.979 1.00 0.33 C ATOM 1209 O PRO A 86 2.685 -1.686 10.048 1.00 0.39 O ATOM 1210 CB PRO A 86 2.401 1.238 9.094 1.00 0.37 C ATOM 1211 CG PRO A 86 1.225 1.243 9.981 1.00 0.35 C ATOM 1212 CD PRO A 86 0.129 0.567 9.233 1.00 0.29 C ATOM 0 HA PRO A 86 2.694 -0.009 7.317 1.00 0.28 H new ATOM 0 HB2 PRO A 86 3.330 1.275 9.663 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.401 2.100 8.426 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.439 0.719 10.913 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.943 2.262 10.246 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.522 0.001 9.899 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.500 1.285 8.706 1.00 0.29 H new ATOM 1220 N ILE A 87 4.116 -1.599 8.317 1.00 0.37 N ATOM 1221 CA ILE A 87 4.909 -2.734 8.732 1.00 0.47 C ATOM 1222 C ILE A 87 6.247 -2.292 9.314 1.00 0.57 C ATOM 1223 O ILE A 87 6.750 -1.212 8.987 1.00 0.56 O ATOM 1224 CB ILE A 87 5.172 -3.666 7.533 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.459 -2.837 6.276 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.988 -4.596 7.315 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.076 -3.622 5.141 1.00 0.49 C ATOM 0 H ILE A 87 4.457 -1.144 7.470 1.00 0.37 H new ATOM 0 HA ILE A 87 4.347 -3.263 9.501 1.00 0.47 H new ATOM 0 HB ILE A 87 6.047 -4.280 7.746 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.527 -2.390 5.929 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.127 -2.017 6.540 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.189 -5.248 6.465 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.832 -5.202 8.208 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.094 -4.006 7.116 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.246 -2.961 4.292 1.00 0.49 H new ATOM 0 HD12 ILE A 87 7.026 -4.047 5.466 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.401 -4.426 4.846 1.00 0.49 H new ATOM 1239 N PRO A 88 6.826 -3.111 10.205 1.00 0.73 N ATOM 1240 CA PRO A 88 8.173 -2.899 10.729 1.00 0.86 C ATOM 1241 C PRO A 88 9.233 -3.188 9.675 1.00 0.92 C ATOM 1242 O PRO A 88 8.970 -3.862 8.679 1.00 0.96 O ATOM 1243 CB PRO A 88 8.282 -3.920 11.871 1.00 1.05 C ATOM 1244 CG PRO A 88 6.894 -4.380 12.124 1.00 1.04 C ATOM 1245 CD PRO A 88 6.214 -4.306 10.798 1.00 0.85 C ATOM 0 HA PRO A 88 8.333 -1.868 11.046 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.927 -4.753 11.592 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.714 -3.467 12.763 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.881 -5.396 12.518 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.396 -3.747 12.859 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.395 -5.197 10.197 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.134 -4.203 10.899 1.00 0.85 H new