USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 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 Set 1.1: A 6 SER OG : rot -51:sc= 0.61 USER MOD Set 1.2: A 10 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -45:sc= 0.058 USER MOD Single : A 12 ASN : amide:sc= -2.5! C(o=-2.5!,f=-4.1!) USER MOD Single : A 13 THR OG1 : rot 124:sc= 1.3 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.11) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.217 K(o=0.22,f=-4.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.19) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 1.25 (180deg=0.8) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 108:sc= 1.3 USER MOD Single : A 44 GLN : amide:sc= 0.0515 K(o=0.052,f=-1.3) USER MOD Single : A 48 GLN :FLIP amide:sc= 0.154 F(o=-0.66,f=0.15) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.6!) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 0.407 (180deg=-0.0619) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -39:sc= -0.0284 USER MOD Single : A 83 ASN : amide:sc= 1.39 K(o=1.4,f=-6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 5.919 -6.410 -4.088 1.00 0.81 N ATOM 29 CA TRP A 4 7.136 -5.946 -3.433 1.00 0.60 C ATOM 30 C TRP A 4 7.786 -7.050 -2.611 1.00 0.62 C ATOM 31 O TRP A 4 7.307 -8.184 -2.579 1.00 0.74 O ATOM 32 CB TRP A 4 6.832 -4.762 -2.526 1.00 0.45 C ATOM 33 CG TRP A 4 6.738 -3.459 -3.244 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.604 -2.818 -3.642 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.832 -2.633 -3.645 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.926 -1.632 -4.253 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.290 -1.500 -4.272 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.221 -2.745 -3.531 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.087 -0.483 -4.782 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.011 -1.733 -4.039 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.443 -0.615 -4.655 1.00 0.52 C ATOM 0 HA TRP A 4 7.830 -5.643 -4.217 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.892 -4.947 -2.006 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.609 -4.691 -1.765 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.600 -3.188 -3.498 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.259 -0.959 -4.631 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.667 -3.606 -3.055 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.652 0.381 -5.262 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.085 -1.807 -3.959 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.088 0.162 -5.039 1.00 0.52 H new ATOM 52 N GLU A 5 8.872 -6.697 -1.937 1.00 0.66 N ATOM 53 CA GLU A 5 9.599 -7.642 -1.107 1.00 0.73 C ATOM 54 C GLU A 5 8.865 -7.837 0.214 1.00 0.67 C ATOM 55 O GLU A 5 8.853 -6.948 1.063 1.00 0.78 O ATOM 56 CB GLU A 5 11.020 -7.130 -0.838 1.00 0.96 C ATOM 57 CG GLU A 5 11.823 -6.820 -2.097 1.00 1.49 C ATOM 58 CD GLU A 5 12.062 -8.038 -2.962 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.995 -8.813 -2.667 1.00 2.65 O ATOM 60 OE2 GLU A 5 11.316 -8.230 -3.943 1.00 2.73 O ATOM 0 H GLU A 5 9.269 -5.758 -1.951 1.00 0.66 H new ATOM 0 HA GLU A 5 9.661 -8.596 -1.631 1.00 0.73 H new ATOM 0 HB2 GLU A 5 10.960 -6.229 -0.228 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.558 -7.876 -0.252 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.296 -6.065 -2.680 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.783 -6.390 -1.812 1.00 1.49 H new ATOM 67 N SER A 6 8.248 -8.995 0.375 1.00 0.74 N ATOM 68 CA SER A 6 7.521 -9.320 1.595 1.00 0.87 C ATOM 69 C SER A 6 8.249 -10.431 2.349 1.00 0.88 C ATOM 70 O SER A 6 7.644 -11.203 3.093 1.00 0.90 O ATOM 71 CB SER A 6 6.084 -9.739 1.256 1.00 1.16 C ATOM 72 OG SER A 6 5.263 -9.765 2.414 1.00 1.75 O ATOM 0 H SER A 6 8.235 -9.733 -0.329 1.00 0.74 H new ATOM 0 HA SER A 6 7.476 -8.439 2.235 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.664 -9.046 0.527 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.091 -10.725 0.792 1.00 1.16 H new ATOM 0 HG SER A 6 5.704 -10.287 3.116 1.00 1.75 H new ATOM 78 N LYS A 7 9.561 -10.493 2.150 1.00 0.95 N ATOM 79 CA LYS A 7 10.391 -11.581 2.664 1.00 1.09 C ATOM 80 C LYS A 7 10.311 -11.717 4.183 1.00 1.03 C ATOM 81 O LYS A 7 10.546 -12.796 4.721 1.00 1.09 O ATOM 82 CB LYS A 7 11.848 -11.379 2.219 1.00 1.37 C ATOM 83 CG LYS A 7 12.482 -10.085 2.715 1.00 1.65 C ATOM 84 CD LYS A 7 13.167 -10.256 4.062 1.00 2.11 C ATOM 85 CE LYS A 7 14.417 -11.108 3.945 1.00 2.79 C ATOM 86 NZ LYS A 7 15.148 -11.209 5.235 1.00 3.24 N ATOM 0 H LYS A 7 10.082 -9.789 1.627 1.00 0.95 H new ATOM 0 HA LYS A 7 10.004 -12.510 2.246 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.444 -12.221 2.573 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.888 -11.395 1.130 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.209 -9.735 1.982 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.715 -9.315 2.795 1.00 1.65 H new ATOM 0 HD2 LYS A 7 13.428 -9.278 4.465 1.00 2.11 H new ATOM 0 HD3 LYS A 7 12.476 -10.717 4.767 1.00 2.11 H new ATOM 0 HE2 LYS A 7 14.144 -12.107 3.605 1.00 2.79 H new ATOM 0 HE3 LYS A 7 15.076 -10.682 3.188 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 15.995 -11.800 5.109 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 15.432 -10.259 5.548 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 14.529 -11.639 5.952 1.00 3.24 H new ATOM 100 N THR A 8 9.979 -10.639 4.877 1.00 1.01 N ATOM 101 CA THR A 8 9.930 -10.679 6.328 1.00 1.08 C ATOM 102 C THR A 8 8.523 -11.043 6.819 1.00 0.93 C ATOM 103 O THR A 8 8.252 -11.045 8.023 1.00 1.03 O ATOM 104 CB THR A 8 10.391 -9.336 6.949 1.00 1.25 C ATOM 105 OG1 THR A 8 10.822 -9.531 8.304 1.00 2.05 O ATOM 106 CG2 THR A 8 9.278 -8.300 6.923 1.00 1.66 C ATOM 0 H THR A 8 9.742 -9.737 4.464 1.00 1.01 H new ATOM 0 HA THR A 8 10.622 -11.455 6.657 1.00 1.08 H new ATOM 0 HB THR A 8 11.223 -8.969 6.348 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.175 -10.096 8.775 1.00 2.05 H new ATOM 0 HG21 THR A 8 9.636 -7.371 7.366 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.975 -8.117 5.892 1.00 1.66 H new ATOM 0 HG23 THR A 8 8.425 -8.668 7.492 1.00 1.66 H new ATOM 114 N GLY A 9 7.631 -11.361 5.880 1.00 0.79 N ATOM 115 CA GLY A 9 6.267 -11.704 6.242 1.00 0.79 C ATOM 116 C GLY A 9 5.435 -10.474 6.530 1.00 0.69 C ATOM 117 O GLY A 9 4.381 -10.555 7.159 1.00 0.88 O ATOM 0 H GLY A 9 7.829 -11.387 4.880 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.808 -12.272 5.432 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.276 -12.350 7.120 1.00 0.79 H new ATOM 121 N SER A 10 5.920 -9.330 6.070 1.00 0.61 N ATOM 122 CA SER A 10 5.326 -8.044 6.396 1.00 0.73 C ATOM 123 C SER A 10 3.963 -7.847 5.747 1.00 0.64 C ATOM 124 O SER A 10 3.100 -7.163 6.296 1.00 0.73 O ATOM 125 CB SER A 10 6.274 -6.934 5.959 1.00 0.96 C ATOM 126 OG SER A 10 6.808 -7.213 4.675 1.00 1.72 O ATOM 0 H SER A 10 6.736 -9.268 5.461 1.00 0.61 H new ATOM 0 HA SER A 10 5.170 -8.013 7.474 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.744 -5.982 5.940 1.00 0.96 H new ATOM 0 HB3 SER A 10 7.084 -6.834 6.682 1.00 0.96 H new ATOM 0 HG SER A 10 7.413 -6.490 4.408 1.00 1.72 H new ATOM 132 N CYS A 11 3.763 -8.438 4.586 1.00 0.52 N ATOM 133 CA CYS A 11 2.518 -8.236 3.867 1.00 0.44 C ATOM 134 C CYS A 11 1.932 -9.556 3.385 1.00 0.41 C ATOM 135 O CYS A 11 2.655 -10.456 2.955 1.00 0.43 O ATOM 136 CB CYS A 11 2.763 -7.308 2.680 1.00 0.41 C ATOM 137 SG CYS A 11 1.242 -6.708 1.874 1.00 1.19 S ATOM 0 H CYS A 11 4.434 -9.053 4.125 1.00 0.52 H new ATOM 0 HA CYS A 11 1.798 -7.783 4.548 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.344 -6.450 3.018 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.369 -7.833 1.942 1.00 0.41 H new ATOM 142 N ASN A 12 0.611 -9.659 3.464 1.00 0.46 N ATOM 143 CA ASN A 12 -0.099 -10.856 3.025 1.00 0.53 C ATOM 144 C ASN A 12 -0.559 -10.736 1.575 1.00 0.47 C ATOM 145 O ASN A 12 -0.676 -11.738 0.869 1.00 0.57 O ATOM 146 CB ASN A 12 -1.306 -11.139 3.933 1.00 0.69 C ATOM 147 CG ASN A 12 -2.401 -10.097 3.820 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.319 -10.240 3.017 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.322 -9.053 4.626 1.00 1.03 N ATOM 0 H ASN A 12 0.006 -8.924 3.830 1.00 0.46 H new ATOM 0 HA ASN A 12 0.601 -11.689 3.093 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.718 -12.117 3.683 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.969 -11.190 4.968 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.040 -8.329 4.595 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.543 -8.971 5.279 1.00 1.03 H new ATOM 156 N THR A 13 -0.826 -9.513 1.136 1.00 0.38 N ATOM 157 CA THR A 13 -1.410 -9.286 -0.178 1.00 0.37 C ATOM 158 C THR A 13 -0.358 -8.983 -1.241 1.00 0.35 C ATOM 159 O THR A 13 -0.535 -9.320 -2.410 1.00 0.44 O ATOM 160 CB THR A 13 -2.432 -8.141 -0.111 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.940 -7.108 0.757 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.770 -8.653 0.396 1.00 0.52 C ATOM 0 H THR A 13 -0.647 -8.663 1.671 1.00 0.38 H new ATOM 0 HA THR A 13 -1.909 -10.210 -0.471 1.00 0.37 H new ATOM 0 HB THR A 13 -2.575 -7.735 -1.112 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.914 -6.257 0.271 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.483 -7.829 0.438 1.00 0.52 H new ATOM 0 HG22 THR A 13 -4.144 -9.423 -0.279 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.644 -9.074 1.393 1.00 0.52 H new ATOM 170 N GLY A 14 0.736 -8.350 -0.840 1.00 0.29 N ATOM 171 CA GLY A 14 1.821 -8.098 -1.772 1.00 0.31 C ATOM 172 C GLY A 14 1.892 -6.654 -2.233 1.00 0.30 C ATOM 173 O GLY A 14 2.929 -6.211 -2.733 1.00 0.43 O ATOM 0 H GLY A 14 0.893 -8.008 0.108 1.00 0.29 H new ATOM 0 HA2 GLY A 14 2.766 -8.369 -1.301 1.00 0.31 H new ATOM 0 HA3 GLY A 14 1.702 -8.744 -2.641 1.00 0.31 H new ATOM 177 N LYS A 15 0.804 -5.908 -2.063 1.00 0.24 N ATOM 178 CA LYS A 15 0.787 -4.507 -2.466 1.00 0.25 C ATOM 179 C LYS A 15 1.362 -3.629 -1.364 1.00 0.24 C ATOM 180 O LYS A 15 0.640 -3.167 -0.487 1.00 0.25 O ATOM 181 CB LYS A 15 -0.631 -4.028 -2.810 1.00 0.31 C ATOM 182 CG LYS A 15 -1.177 -4.560 -4.127 1.00 0.41 C ATOM 183 CD LYS A 15 -2.349 -3.714 -4.611 1.00 0.57 C ATOM 184 CE LYS A 15 -2.909 -4.217 -5.930 1.00 0.69 C ATOM 185 NZ LYS A 15 -3.955 -3.313 -6.488 1.00 1.64 N ATOM 0 H LYS A 15 -0.067 -6.246 -1.654 1.00 0.24 H new ATOM 0 HA LYS A 15 1.403 -4.424 -3.362 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.305 -4.324 -2.006 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.634 -2.939 -2.844 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.388 -4.560 -4.879 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.497 -5.594 -4.001 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.136 -3.721 -3.857 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.026 -2.679 -4.726 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.098 -4.317 -6.651 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.332 -5.211 -5.786 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.423 -3.778 -7.292 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.659 -3.101 -5.753 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -3.513 -2.428 -6.810 1.00 1.64 H new ATOM 199 N LEU A 16 2.664 -3.422 -1.399 1.00 0.26 N ATOM 200 CA LEU A 16 3.314 -2.523 -0.469 1.00 0.30 C ATOM 201 C LEU A 16 3.391 -1.127 -1.066 1.00 0.33 C ATOM 202 O LEU A 16 3.685 -0.970 -2.249 1.00 0.55 O ATOM 203 CB LEU A 16 4.724 -3.014 -0.125 1.00 0.35 C ATOM 204 CG LEU A 16 4.799 -4.206 0.831 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.217 -5.448 0.195 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.235 -4.454 1.260 1.00 0.43 C ATOM 0 H LEU A 16 3.294 -3.867 -2.066 1.00 0.26 H new ATOM 0 HA LEU A 16 2.724 -2.497 0.447 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.231 -3.283 -1.052 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.280 -2.185 0.313 1.00 0.35 H new ATOM 0 HG LEU A 16 4.207 -3.968 1.715 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.283 -6.280 0.896 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.172 -5.270 -0.061 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.776 -5.690 -0.709 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.270 -5.305 1.940 1.00 0.43 H new ATOM 0 HD22 LEU A 16 6.846 -4.665 0.382 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.621 -3.569 1.766 1.00 0.43 H new ATOM 218 N ALA A 17 3.118 -0.121 -0.260 1.00 0.27 N ATOM 219 CA ALA A 17 3.216 1.255 -0.714 1.00 0.27 C ATOM 220 C ALA A 17 3.687 2.153 0.417 1.00 0.24 C ATOM 221 O ALA A 17 3.486 1.847 1.594 1.00 0.28 O ATOM 222 CB ALA A 17 1.881 1.735 -1.262 1.00 0.29 C ATOM 0 H ALA A 17 2.827 -0.228 0.712 1.00 0.27 H new ATOM 0 HA ALA A 17 3.950 1.302 -1.519 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.975 2.768 -1.597 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.586 1.107 -2.102 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.124 1.675 -0.480 1.00 0.29 H new ATOM 228 N CYS A 18 4.351 3.239 0.057 1.00 0.26 N ATOM 229 CA CYS A 18 4.798 4.218 1.036 1.00 0.26 C ATOM 230 C CYS A 18 3.691 5.235 1.280 1.00 0.24 C ATOM 231 O CYS A 18 3.528 6.190 0.515 1.00 0.32 O ATOM 232 CB CYS A 18 6.063 4.907 0.531 1.00 0.36 C ATOM 233 SG CYS A 18 7.368 3.752 0.009 1.00 0.74 S ATOM 0 H CYS A 18 4.593 3.466 -0.908 1.00 0.26 H new ATOM 0 HA CYS A 18 5.027 3.720 1.978 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.804 5.552 -0.309 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.454 5.551 1.319 1.00 0.36 H new ATOM 238 N CYS A 19 2.945 5.038 2.358 1.00 0.21 N ATOM 239 CA CYS A 19 1.697 5.762 2.564 1.00 0.21 C ATOM 240 C CYS A 19 1.759 6.641 3.810 1.00 0.23 C ATOM 241 O CYS A 19 2.614 6.448 4.677 1.00 0.30 O ATOM 242 CB CYS A 19 0.533 4.778 2.701 1.00 0.23 C ATOM 243 SG CYS A 19 0.257 3.678 1.269 1.00 0.50 S ATOM 0 H CYS A 19 3.182 4.383 3.104 1.00 0.21 H new ATOM 0 HA CYS A 19 1.542 6.402 1.696 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.704 4.161 3.583 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.380 5.346 2.882 1.00 0.23 H new ATOM 248 N ASP A 20 0.847 7.608 3.891 1.00 0.23 N ATOM 249 CA ASP A 20 0.710 8.445 5.073 1.00 0.28 C ATOM 250 C ASP A 20 -0.437 7.944 5.932 1.00 0.28 C ATOM 251 O ASP A 20 -1.599 8.249 5.676 1.00 0.34 O ATOM 252 CB ASP A 20 0.475 9.906 4.683 1.00 0.37 C ATOM 253 CG ASP A 20 1.762 10.623 4.330 1.00 1.01 C ATOM 254 OD1 ASP A 20 1.905 11.066 3.168 1.00 1.65 O ATOM 255 OD2 ASP A 20 2.641 10.742 5.206 1.00 1.33 O ATOM 0 H ASP A 20 0.189 7.829 3.144 1.00 0.23 H new ATOM 0 HA ASP A 20 1.637 8.389 5.643 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -0.206 9.947 3.833 1.00 0.37 H new ATOM 0 HB3 ASP A 20 -0.013 10.426 5.508 1.00 0.37 H new ATOM 260 N THR A 21 -0.098 7.184 6.960 1.00 0.31 N ATOM 261 CA THR A 21 -1.087 6.516 7.798 1.00 0.36 C ATOM 262 C THR A 21 -1.869 7.503 8.665 1.00 0.42 C ATOM 263 O THR A 21 -2.855 7.139 9.305 1.00 0.52 O ATOM 264 CB THR A 21 -0.405 5.477 8.703 1.00 0.41 C ATOM 265 OG1 THR A 21 0.613 6.109 9.492 1.00 0.41 O ATOM 266 CG2 THR A 21 0.218 4.364 7.876 1.00 0.43 C ATOM 0 H THR A 21 0.868 7.011 7.239 1.00 0.31 H new ATOM 0 HA THR A 21 -1.791 6.023 7.128 1.00 0.36 H new ATOM 0 HB THR A 21 -1.163 5.046 9.357 1.00 0.41 H new ATOM 0 HG1 THR A 21 1.042 5.442 10.067 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.694 3.641 8.539 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.557 3.866 7.293 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.964 4.785 7.202 1.00 0.43 H new ATOM 274 N ASN A 22 -1.449 8.755 8.657 1.00 0.43 N ATOM 275 CA ASN A 22 -2.044 9.767 9.511 1.00 0.56 C ATOM 276 C ASN A 22 -2.958 10.629 8.678 1.00 0.50 C ATOM 277 O ASN A 22 -3.739 11.436 9.183 1.00 0.63 O ATOM 278 CB ASN A 22 -0.951 10.617 10.152 1.00 0.70 C ATOM 279 CG ASN A 22 -0.199 11.483 9.154 1.00 1.35 C ATOM 280 OD1 ASN A 22 -0.035 11.121 7.989 1.00 1.87 O ATOM 281 ND2 ASN A 22 0.271 12.634 9.609 1.00 2.20 N ATOM 0 H ASN A 22 -0.693 9.097 8.064 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.618 9.291 10.306 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -1.398 11.257 10.913 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -0.243 9.963 10.661 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.789 13.255 8.987 1.00 2.20 H new ATOM 0 HD22 ASN A 22 0.115 12.900 10.581 1.00 2.20 H new ATOM 288 N LYS A 23 -2.838 10.422 7.390 1.00 0.40 N ATOM 289 CA LYS A 23 -3.583 11.160 6.402 1.00 0.39 C ATOM 290 C LYS A 23 -4.482 10.221 5.598 1.00 0.32 C ATOM 291 O LYS A 23 -4.039 9.528 4.680 1.00 0.39 O ATOM 292 CB LYS A 23 -2.598 11.921 5.513 1.00 0.47 C ATOM 293 CG LYS A 23 -3.152 12.315 4.168 1.00 0.95 C ATOM 294 CD LYS A 23 -4.192 13.426 4.251 1.00 1.53 C ATOM 295 CE LYS A 23 -4.529 13.964 2.870 1.00 1.84 C ATOM 296 NZ LYS A 23 -5.508 15.080 2.927 1.00 2.60 N ATOM 0 H LYS A 23 -2.209 9.724 6.993 1.00 0.40 H new ATOM 0 HA LYS A 23 -4.241 11.882 6.886 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -2.274 12.820 6.037 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -1.712 11.304 5.361 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.333 12.639 3.526 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -3.600 11.441 3.696 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -5.096 13.047 4.728 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -3.816 14.234 4.878 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -3.616 14.308 2.383 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -4.934 13.159 2.257 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -5.708 15.416 1.963 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -6.389 14.747 3.368 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -5.113 15.860 3.490 1.00 2.60 H new ATOM 310 N LYS A 24 -5.748 10.197 5.978 1.00 0.49 N ATOM 311 CA LYS A 24 -6.742 9.354 5.338 1.00 0.49 C ATOM 312 C LYS A 24 -7.337 10.041 4.117 1.00 0.45 C ATOM 313 O LYS A 24 -7.098 11.223 3.875 1.00 0.48 O ATOM 314 CB LYS A 24 -7.861 9.017 6.324 1.00 0.61 C ATOM 315 CG LYS A 24 -7.546 7.873 7.275 1.00 0.91 C ATOM 316 CD LYS A 24 -6.500 8.239 8.316 1.00 1.32 C ATOM 317 CE LYS A 24 -6.337 7.120 9.334 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.340 7.450 10.387 1.00 2.17 N ATOM 0 H LYS A 24 -6.116 10.764 6.742 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.247 8.437 5.018 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.090 9.907 6.911 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.760 8.766 5.761 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.461 7.565 7.780 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.195 7.016 6.700 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.546 8.433 7.827 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.791 9.159 8.823 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -7.300 6.915 9.801 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.031 6.208 8.821 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -5.327 6.695 11.102 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -4.397 7.537 9.957 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -5.598 8.350 10.840 1.00 2.17 H new ATOM 332 N VAL A 25 -8.103 9.282 3.351 1.00 0.46 N ATOM 333 CA VAL A 25 -8.799 9.799 2.184 1.00 0.50 C ATOM 334 C VAL A 25 -10.301 9.600 2.367 1.00 0.56 C ATOM 335 O VAL A 25 -10.728 8.655 3.031 1.00 0.57 O ATOM 336 CB VAL A 25 -8.333 9.091 0.890 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.888 9.778 -0.349 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.813 9.027 0.832 1.00 0.44 C ATOM 0 H VAL A 25 -8.260 8.289 3.521 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.569 10.860 2.087 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.723 8.073 0.909 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.542 9.256 -1.241 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.977 9.760 -0.318 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.543 10.812 -0.377 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.505 8.526 -0.085 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.405 10.038 0.848 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.439 8.472 1.692 1.00 0.44 H new ATOM 348 N GLN A 26 -11.092 10.482 1.773 1.00 0.66 N ATOM 349 CA GLN A 26 -12.541 10.510 1.978 1.00 0.78 C ATOM 350 C GLN A 26 -13.275 9.379 1.251 1.00 0.75 C ATOM 351 O GLN A 26 -14.469 9.488 0.971 1.00 0.87 O ATOM 352 CB GLN A 26 -13.093 11.850 1.494 1.00 0.97 C ATOM 353 CG GLN A 26 -12.784 12.150 0.036 1.00 1.71 C ATOM 354 CD GLN A 26 -13.342 13.486 -0.415 1.00 2.23 C ATOM 355 OE1 GLN A 26 -12.675 14.513 -0.318 1.00 2.62 O ATOM 356 NE2 GLN A 26 -14.567 13.480 -0.911 1.00 2.83 N ATOM 0 H GLN A 26 -10.751 11.201 1.134 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.712 10.373 3.046 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -14.174 11.860 1.636 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -12.683 12.647 2.114 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -11.704 12.143 -0.112 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -13.196 11.358 -0.589 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -15.087 12.605 -0.974 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -14.992 14.350 -1.231 1.00 2.83 H new ATOM 365 N LYS A 27 -12.585 8.290 0.961 1.00 0.96 N ATOM 366 CA LYS A 27 -13.170 7.223 0.164 1.00 1.06 C ATOM 367 C LYS A 27 -12.847 5.853 0.741 1.00 0.94 C ATOM 368 O LYS A 27 -11.918 5.704 1.531 1.00 1.56 O ATOM 369 CB LYS A 27 -12.689 7.316 -1.277 1.00 1.81 C ATOM 370 CG LYS A 27 -13.099 8.611 -1.957 1.00 2.36 C ATOM 371 CD LYS A 27 -13.004 8.494 -3.463 1.00 2.79 C ATOM 372 CE LYS A 27 -11.615 8.069 -3.915 1.00 3.33 C ATOM 373 NZ LYS A 27 -11.515 7.984 -5.395 1.00 4.07 N ATOM 0 H LYS A 27 -11.625 8.120 1.262 1.00 0.96 H new ATOM 0 HA LYS A 27 -14.253 7.346 0.187 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.603 7.229 -1.298 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -13.087 6.473 -1.842 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -14.120 8.866 -1.673 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.460 9.424 -1.612 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -13.738 7.770 -3.817 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -13.256 9.452 -3.918 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -10.878 8.781 -3.542 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -11.372 7.100 -3.479 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -11.054 7.091 -5.661 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -12.468 8.019 -5.810 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -10.953 8.783 -5.751 1.00 4.07 H new ATOM 387 N SER A 28 -13.638 4.867 0.358 1.00 0.83 N ATOM 388 CA SER A 28 -13.415 3.491 0.765 1.00 1.35 C ATOM 389 C SER A 28 -13.564 2.571 -0.440 1.00 1.17 C ATOM 390 O SER A 28 -14.118 1.473 -0.350 1.00 1.46 O ATOM 391 CB SER A 28 -14.403 3.110 1.869 1.00 2.09 C ATOM 392 OG SER A 28 -15.730 3.451 1.500 1.00 2.46 O ATOM 0 H SER A 28 -14.452 4.997 -0.243 1.00 0.83 H new ATOM 0 HA SER A 28 -12.404 3.384 1.159 1.00 1.35 H new ATOM 0 HB2 SER A 28 -14.340 2.040 2.066 1.00 2.09 H new ATOM 0 HB3 SER A 28 -14.136 3.621 2.794 1.00 2.09 H new ATOM 0 HG SER A 28 -16.345 3.197 2.219 1.00 2.46 H new ATOM 398 N THR A 29 -13.073 3.044 -1.575 1.00 1.02 N ATOM 399 CA THR A 29 -13.173 2.320 -2.830 1.00 1.07 C ATOM 400 C THR A 29 -11.978 1.394 -3.030 1.00 1.17 C ATOM 401 O THR A 29 -11.168 1.222 -2.127 1.00 2.00 O ATOM 402 CB THR A 29 -13.270 3.311 -3.999 1.00 1.24 C ATOM 403 OG1 THR A 29 -12.314 4.367 -3.820 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.669 3.894 -4.092 1.00 1.64 C ATOM 0 H THR A 29 -12.594 3.941 -1.651 1.00 1.02 H new ATOM 0 HA THR A 29 -14.074 1.707 -2.798 1.00 1.07 H new ATOM 0 HB THR A 29 -13.054 2.778 -4.925 1.00 1.24 H new ATOM 0 HG1 THR A 29 -11.586 4.262 -4.467 1.00 1.64 H new ATOM 0 HG21 THR A 29 -14.717 4.594 -4.926 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.388 3.090 -4.250 1.00 1.64 H new ATOM 0 HG23 THR A 29 -14.908 4.417 -3.166 1.00 1.64 H new ATOM 412 N GLY A 30 -11.885 0.787 -4.207 1.00 0.96 N ATOM 413 CA GLY A 30 -10.768 -0.086 -4.503 1.00 1.02 C ATOM 414 C GLY A 30 -10.798 -0.579 -5.933 1.00 1.05 C ATOM 415 O GLY A 30 -11.871 -0.799 -6.494 1.00 1.39 O ATOM 0 H GLY A 30 -12.564 0.885 -4.961 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.834 0.446 -4.322 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.785 -0.939 -3.825 1.00 1.02 H new ATOM 419 N GLU A 31 -9.627 -0.768 -6.517 1.00 1.00 N ATOM 420 CA GLU A 31 -9.521 -1.208 -7.902 1.00 1.18 C ATOM 421 C GLU A 31 -9.679 -2.719 -7.993 1.00 0.94 C ATOM 422 O GLU A 31 -10.486 -3.225 -8.772 1.00 1.04 O ATOM 423 CB GLU A 31 -8.173 -0.785 -8.484 1.00 1.63 C ATOM 424 CG GLU A 31 -8.000 0.720 -8.577 1.00 2.14 C ATOM 425 CD GLU A 31 -8.934 1.349 -9.588 1.00 2.60 C ATOM 426 OE1 GLU A 31 -8.509 1.562 -10.743 1.00 2.90 O ATOM 427 OE2 GLU A 31 -10.096 1.641 -9.238 1.00 3.06 O ATOM 0 H GLU A 31 -8.731 -0.623 -6.052 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.319 -0.740 -8.479 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -7.374 -1.197 -7.867 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -8.064 -1.218 -9.478 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -8.178 1.164 -7.598 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -6.969 0.948 -8.848 1.00 2.14 H new ATOM 434 N GLU A 32 -8.920 -3.430 -7.174 1.00 0.85 N ATOM 435 CA GLU A 32 -8.983 -4.877 -7.139 1.00 1.01 C ATOM 436 C GLU A 32 -9.886 -5.330 -6.003 1.00 1.08 C ATOM 437 O GLU A 32 -10.647 -6.288 -6.140 1.00 1.36 O ATOM 438 CB GLU A 32 -7.586 -5.478 -6.981 1.00 1.26 C ATOM 439 CG GLU A 32 -6.654 -5.169 -8.142 1.00 1.66 C ATOM 440 CD GLU A 32 -7.205 -5.635 -9.474 1.00 1.90 C ATOM 441 OE1 GLU A 32 -7.270 -6.864 -9.703 1.00 2.09 O ATOM 442 OE2 GLU A 32 -7.553 -4.776 -10.310 1.00 2.44 O ATOM 0 H GLU A 32 -8.250 -3.022 -6.522 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.398 -5.229 -8.084 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.141 -5.103 -6.059 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.675 -6.559 -6.875 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.475 -4.095 -8.183 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.690 -5.646 -7.965 1.00 1.66 H new ATOM 603 N GLN A 44 -12.768 -0.418 5.035 1.00 0.64 N ATOM 604 CA GLN A 44 -11.511 -0.194 4.331 1.00 0.45 C ATOM 605 C GLN A 44 -10.946 1.174 4.665 1.00 0.42 C ATOM 606 O GLN A 44 -11.621 2.196 4.522 1.00 0.57 O ATOM 607 CB GLN A 44 -11.659 -0.277 2.817 1.00 0.42 C ATOM 608 CG GLN A 44 -12.502 -1.435 2.322 1.00 0.57 C ATOM 609 CD GLN A 44 -12.243 -1.755 0.862 1.00 0.64 C ATOM 610 OE1 GLN A 44 -11.418 -2.607 0.538 1.00 1.40 O ATOM 611 NE2 GLN A 44 -12.921 -1.056 -0.033 1.00 1.18 N ATOM 0 HA GLN A 44 -10.840 -0.986 4.663 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.099 0.653 2.458 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.666 -0.353 2.373 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.294 -2.317 2.927 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.557 -1.197 2.458 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -13.598 -0.357 0.272 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -12.767 -1.216 -1.028 1.00 1.18 H new ATOM 620 N VAL A 45 -9.703 1.183 5.080 1.00 0.33 N ATOM 621 CA VAL A 45 -9.036 2.414 5.467 1.00 0.36 C ATOM 622 C VAL A 45 -8.159 2.908 4.335 1.00 0.27 C ATOM 623 O VAL A 45 -7.118 2.323 4.037 1.00 0.33 O ATOM 624 CB VAL A 45 -8.174 2.235 6.736 1.00 0.48 C ATOM 625 CG1 VAL A 45 -7.595 3.570 7.181 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.986 1.602 7.857 1.00 1.37 C ATOM 0 H VAL A 45 -9.124 0.347 5.161 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.814 3.145 5.687 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.349 1.565 6.495 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.991 3.424 8.076 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.972 3.980 6.386 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -8.407 4.264 7.400 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -8.358 1.486 8.740 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.835 2.242 8.097 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.347 0.624 7.537 1.00 1.37 H new ATOM 636 N ALA A 46 -8.601 3.974 3.699 1.00 0.24 N ATOM 637 CA ALA A 46 -7.872 4.564 2.595 1.00 0.21 C ATOM 638 C ALA A 46 -7.002 5.702 3.087 1.00 0.20 C ATOM 639 O ALA A 46 -7.496 6.649 3.700 1.00 0.30 O ATOM 640 CB ALA A 46 -8.842 5.060 1.541 1.00 0.29 C ATOM 0 H ALA A 46 -9.471 4.453 3.931 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.228 3.804 2.152 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.286 5.502 0.714 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.437 4.225 1.172 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.501 5.810 1.977 1.00 0.29 H new ATOM 646 N ILE A 47 -5.711 5.598 2.837 1.00 0.21 N ATOM 647 CA ILE A 47 -4.784 6.654 3.196 1.00 0.21 C ATOM 648 C ILE A 47 -4.028 7.136 1.971 1.00 0.20 C ATOM 649 O ILE A 47 -3.932 6.427 0.965 1.00 0.21 O ATOM 650 CB ILE A 47 -3.776 6.211 4.281 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.070 4.914 3.879 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.472 6.055 5.625 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.038 4.463 4.890 1.00 0.23 C ATOM 0 H ILE A 47 -5.280 4.791 2.386 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.381 7.468 3.608 1.00 0.21 H new ATOM 0 HB ILE A 47 -3.017 6.988 4.376 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.813 4.127 3.751 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.586 5.055 2.913 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.747 5.743 6.376 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.912 7.008 5.920 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.256 5.303 5.543 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.573 3.539 4.548 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.275 5.234 5.000 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.522 4.291 5.852 1.00 0.23 H new ATOM 665 N GLN A 48 -3.516 8.352 2.059 1.00 0.24 N ATOM 666 CA GLN A 48 -2.771 8.956 0.967 1.00 0.25 C ATOM 667 C GLN A 48 -1.427 8.266 0.839 1.00 0.22 C ATOM 668 O GLN A 48 -0.785 7.961 1.841 1.00 0.36 O ATOM 669 CB GLN A 48 -2.574 10.442 1.238 1.00 0.36 C ATOM 670 CG GLN A 48 -2.752 11.333 0.018 1.00 0.47 C ATOM 671 CD GLN A 48 -1.616 11.205 -0.979 1.00 1.43 C ATOM 672 OE1 GLN A 48 -1.793 10.360 -1.981 1.00 2.38 O flip ATOM 673 NE2 GLN A 48 -0.595 11.880 -0.863 1.00 1.78 N flip ATOM 0 H GLN A 48 -3.604 8.945 2.884 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.326 8.840 0.036 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.280 10.755 2.007 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.573 10.596 1.642 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.691 11.082 -0.475 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.830 12.371 0.341 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -0.494 12.521 -0.076 1.00 1.78 H new ATOM 0 HE22 GLN A 48 0.151 11.799 -1.553 1.00 1.78 H new ATOM 682 N CYS A 49 -1.004 8.019 -0.379 1.00 0.26 N ATOM 683 CA CYS A 49 0.197 7.255 -0.605 1.00 0.25 C ATOM 684 C CYS A 49 0.976 7.796 -1.790 1.00 0.28 C ATOM 685 O CYS A 49 0.420 8.471 -2.657 1.00 0.32 O ATOM 686 CB CYS A 49 -0.168 5.800 -0.848 1.00 0.25 C ATOM 687 SG CYS A 49 1.103 4.632 -0.307 1.00 1.15 S ATOM 0 H CYS A 49 -1.474 8.336 -1.227 1.00 0.26 H new ATOM 0 HA CYS A 49 0.829 7.335 0.279 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.099 5.576 -0.328 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.354 5.654 -1.912 1.00 0.25 H new ATOM 692 N THR A 50 2.267 7.516 -1.799 1.00 0.28 N ATOM 693 CA THR A 50 3.137 7.912 -2.889 1.00 0.36 C ATOM 694 C THR A 50 4.429 7.111 -2.833 1.00 0.38 C ATOM 695 O THR A 50 5.130 7.102 -1.818 1.00 0.45 O ATOM 696 CB THR A 50 3.432 9.430 -2.881 1.00 0.46 C ATOM 697 OG1 THR A 50 4.346 9.766 -3.933 1.00 0.60 O ATOM 698 CG2 THR A 50 3.996 9.875 -1.543 1.00 0.54 C ATOM 0 H THR A 50 2.740 7.008 -1.051 1.00 0.28 H new ATOM 0 HA THR A 50 2.619 7.698 -3.824 1.00 0.36 H new ATOM 0 HB THR A 50 2.490 9.953 -3.045 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.523 10.730 -3.917 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.193 10.947 -1.569 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.276 9.658 -0.754 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.925 9.340 -1.344 1.00 0.54 H new ATOM 706 N GLN A 51 4.727 6.404 -3.901 1.00 0.39 N ATOM 707 CA GLN A 51 5.910 5.575 -3.938 1.00 0.42 C ATOM 708 C GLN A 51 6.827 6.002 -5.079 1.00 0.42 C ATOM 709 O GLN A 51 6.450 5.936 -6.251 1.00 0.58 O ATOM 710 CB GLN A 51 5.502 4.104 -4.061 1.00 0.57 C ATOM 711 CG GLN A 51 6.464 3.149 -3.369 1.00 0.66 C ATOM 712 CD GLN A 51 7.687 2.831 -4.203 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.609 2.776 -5.426 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.822 2.627 -3.546 1.00 0.74 N ATOM 0 H GLN A 51 4.167 6.387 -4.753 1.00 0.39 H new ATOM 0 HA GLN A 51 6.469 5.698 -3.010 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.506 3.974 -3.638 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.436 3.840 -5.117 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.781 3.585 -2.422 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.941 2.222 -3.134 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.839 2.683 -2.528 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.677 2.414 -4.059 1.00 0.74 H new ATOM 723 N ILE A 52 8.011 6.478 -4.706 1.00 0.43 N ATOM 724 CA ILE A 52 9.049 6.875 -5.657 1.00 0.50 C ATOM 725 C ILE A 52 9.317 5.741 -6.651 1.00 0.56 C ATOM 726 O ILE A 52 9.425 4.594 -6.242 1.00 0.65 O ATOM 727 CB ILE A 52 10.348 7.231 -4.893 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.067 8.349 -3.887 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.462 7.643 -5.848 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.270 8.746 -3.064 1.00 0.95 C ATOM 0 H ILE A 52 8.281 6.601 -3.730 1.00 0.43 H new ATOM 0 HA ILE A 52 8.709 7.750 -6.211 1.00 0.50 H new ATOM 0 HB ILE A 52 10.684 6.342 -4.360 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.701 9.224 -4.424 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.269 8.029 -3.216 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.359 7.886 -5.278 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.678 6.822 -6.531 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.147 8.517 -6.419 1.00 0.85 H new ATOM 0 HD11 ILE A 52 10.992 9.543 -2.374 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.624 7.884 -2.499 1.00 0.95 H new ATOM 0 HD13 ILE A 52 12.063 9.098 -3.724 1.00 0.95 H new ATOM 742 N PRO A 53 9.428 6.070 -7.964 1.00 0.66 N ATOM 743 CA PRO A 53 9.567 5.095 -9.060 1.00 0.80 C ATOM 744 C PRO A 53 10.350 3.840 -8.676 1.00 0.82 C ATOM 745 O PRO A 53 11.576 3.870 -8.535 1.00 0.87 O ATOM 746 CB PRO A 53 10.333 5.896 -10.106 1.00 0.95 C ATOM 747 CG PRO A 53 9.903 7.314 -9.908 1.00 0.85 C ATOM 748 CD PRO A 53 9.405 7.445 -8.486 1.00 0.70 C ATOM 0 HA PRO A 53 8.600 4.710 -9.384 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.410 5.789 -9.973 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.101 5.551 -11.114 1.00 0.95 H new ATOM 0 HG2 PRO A 53 10.735 7.995 -10.087 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.117 7.578 -10.615 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.045 8.104 -7.899 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.400 7.866 -8.454 1.00 0.70 H new ATOM 756 N LEU A 54 9.613 2.740 -8.552 1.00 0.90 N ATOM 757 CA LEU A 54 10.113 1.500 -7.968 1.00 0.96 C ATOM 758 C LEU A 54 11.320 0.918 -8.697 1.00 0.90 C ATOM 759 O LEU A 54 11.424 0.967 -9.927 1.00 1.03 O ATOM 760 CB LEU A 54 8.979 0.465 -7.887 1.00 1.27 C ATOM 761 CG LEU A 54 8.167 0.227 -9.170 1.00 1.07 C ATOM 762 CD1 LEU A 54 8.894 -0.710 -10.124 1.00 1.67 C ATOM 763 CD2 LEU A 54 6.793 -0.330 -8.829 1.00 1.08 C ATOM 0 H LEU A 54 8.641 2.684 -8.858 1.00 0.90 H new ATOM 0 HA LEU A 54 10.464 1.749 -6.966 1.00 0.96 H new ATOM 0 HB2 LEU A 54 9.409 -0.487 -7.575 1.00 1.27 H new ATOM 0 HB3 LEU A 54 8.290 0.776 -7.102 1.00 1.27 H new ATOM 0 HG LEU A 54 8.048 1.187 -9.672 1.00 1.07 H new ATOM 0 HD11 LEU A 54 8.291 -0.856 -11.020 1.00 1.67 H new ATOM 0 HD12 LEU A 54 9.855 -0.275 -10.400 1.00 1.67 H new ATOM 0 HD13 LEU A 54 9.057 -1.671 -9.636 1.00 1.67 H new ATOM 0 HD21 LEU A 54 6.229 -0.494 -9.747 1.00 1.08 H new ATOM 0 HD22 LEU A 54 6.905 -1.276 -8.298 1.00 1.08 H new ATOM 0 HD23 LEU A 54 6.259 0.380 -8.197 1.00 1.08 H new ATOM 775 N LEU A 55 12.244 0.399 -7.907 1.00 0.88 N ATOM 776 CA LEU A 55 13.393 -0.328 -8.405 1.00 0.96 C ATOM 777 C LEU A 55 13.265 -1.798 -8.028 1.00 0.93 C ATOM 778 O LEU A 55 13.260 -2.146 -6.846 1.00 0.85 O ATOM 779 CB LEU A 55 14.673 0.255 -7.813 1.00 1.08 C ATOM 780 CG LEU A 55 14.965 1.702 -8.206 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.168 2.230 -7.445 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.198 1.804 -9.703 1.00 1.58 C ATOM 0 H LEU A 55 12.215 0.473 -6.890 1.00 0.88 H new ATOM 0 HA LEU A 55 13.436 -0.238 -9.490 1.00 0.96 H new ATOM 0 HB2 LEU A 55 14.613 0.194 -6.726 1.00 1.08 H new ATOM 0 HB3 LEU A 55 15.514 -0.366 -8.121 1.00 1.08 H new ATOM 0 HG LEU A 55 14.100 2.312 -7.945 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.360 3.262 -7.739 1.00 1.52 H new ATOM 0 HD12 LEU A 55 15.968 2.189 -6.374 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.041 1.619 -7.675 1.00 1.52 H new ATOM 0 HD21 LEU A 55 15.405 2.841 -9.969 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.048 1.181 -9.982 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.309 1.464 -10.234 1.00 1.58 H new ATOM 794 N ILE A 56 13.149 -2.663 -9.025 1.00 1.10 N ATOM 795 CA ILE A 56 12.978 -4.084 -8.771 1.00 1.16 C ATOM 796 C ILE A 56 14.195 -4.666 -8.068 1.00 1.07 C ATOM 797 O ILE A 56 15.338 -4.335 -8.384 1.00 1.14 O ATOM 798 CB ILE A 56 12.708 -4.868 -10.064 1.00 1.45 C ATOM 799 CG1 ILE A 56 11.478 -4.309 -10.761 1.00 1.68 C ATOM 800 CG2 ILE A 56 12.530 -6.357 -9.785 1.00 1.58 C ATOM 801 CD1 ILE A 56 10.249 -4.278 -9.884 1.00 2.11 C ATOM 0 H ILE A 56 13.170 -2.407 -10.012 1.00 1.10 H new ATOM 0 HA ILE A 56 12.108 -4.183 -8.121 1.00 1.16 H new ATOM 0 HB ILE A 56 13.573 -4.755 -10.717 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.694 -3.298 -11.106 1.00 1.68 H new ATOM 0 HG13 ILE A 56 11.268 -4.909 -11.646 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.341 -6.882 -10.721 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.436 -6.752 -9.324 1.00 1.58 H new ATOM 0 HG23 ILE A 56 11.687 -6.502 -9.110 1.00 1.58 H new ATOM 0 HD11 ILE A 56 9.411 -3.868 -10.447 1.00 2.11 H new ATOM 0 HD12 ILE A 56 10.008 -5.290 -9.560 1.00 2.11 H new ATOM 0 HD13 ILE A 56 10.440 -3.654 -9.011 1.00 2.11 H new ATOM 813 N GLY A 57 13.929 -5.528 -7.111 1.00 1.03 N ATOM 814 CA GLY A 57 14.989 -6.144 -6.341 1.00 1.00 C ATOM 815 C GLY A 57 15.253 -5.436 -5.025 1.00 0.86 C ATOM 816 O GLY A 57 15.776 -6.037 -4.089 1.00 0.90 O ATOM 0 H GLY A 57 12.988 -5.819 -6.847 1.00 1.03 H new ATOM 0 HA2 GLY A 57 14.729 -7.184 -6.142 1.00 1.00 H new ATOM 0 HA3 GLY A 57 15.904 -6.151 -6.933 1.00 1.00 H new ATOM 820 N ILE A 58 14.898 -4.160 -4.945 1.00 0.77 N ATOM 821 CA ILE A 58 15.144 -3.376 -3.742 1.00 0.66 C ATOM 822 C ILE A 58 13.917 -3.322 -2.843 1.00 0.61 C ATOM 823 O ILE A 58 12.777 -3.440 -3.294 1.00 0.69 O ATOM 824 CB ILE A 58 15.637 -1.947 -4.096 1.00 0.67 C ATOM 825 CG1 ILE A 58 17.136 -1.826 -3.814 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.871 -0.859 -3.351 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.501 -2.008 -2.353 1.00 0.71 C ATOM 0 H ILE A 58 14.439 -3.647 -5.698 1.00 0.77 H new ATOM 0 HA ILE A 58 15.935 -3.878 -3.185 1.00 0.66 H new ATOM 0 HB ILE A 58 15.448 -1.796 -5.159 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.669 -2.569 -4.407 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.481 -0.847 -4.146 1.00 0.72 H new ATOM 0 HG21 ILE A 58 15.258 0.119 -3.637 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.813 -0.920 -3.606 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.994 -0.998 -2.277 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.580 -1.908 -2.232 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.997 -1.249 -1.755 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.189 -2.998 -2.021 1.00 0.71 H new ATOM 839 N ALA A 59 14.189 -3.167 -1.561 1.00 0.57 N ATOM 840 CA ALA A 59 13.160 -3.065 -0.547 1.00 0.59 C ATOM 841 C ALA A 59 12.548 -1.674 -0.539 1.00 0.49 C ATOM 842 O ALA A 59 13.251 -0.672 -0.382 1.00 0.50 O ATOM 843 CB ALA A 59 13.765 -3.371 0.808 1.00 0.68 C ATOM 0 H ALA A 59 15.138 -3.108 -1.193 1.00 0.57 H new ATOM 0 HA ALA A 59 12.371 -3.783 -0.770 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.995 -3.296 1.576 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.175 -4.381 0.804 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.561 -2.657 1.021 1.00 0.68 H new ATOM 849 N ILE A 60 11.229 -1.639 -0.694 1.00 0.46 N ATOM 850 CA ILE A 60 10.452 -0.402 -0.700 1.00 0.42 C ATOM 851 C ILE A 60 10.733 0.425 0.546 1.00 0.40 C ATOM 852 O ILE A 60 10.730 1.657 0.517 1.00 0.39 O ATOM 853 CB ILE A 60 8.944 -0.722 -0.730 1.00 0.53 C ATOM 854 CG1 ILE A 60 8.116 0.559 -0.844 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.557 -1.517 0.515 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.628 0.314 -0.924 1.00 0.69 C ATOM 0 H ILE A 60 10.662 -2.477 -0.821 1.00 0.46 H new ATOM 0 HA ILE A 60 10.741 0.162 -1.587 1.00 0.42 H new ATOM 0 HB ILE A 60 8.732 -1.329 -1.610 1.00 0.53 H new ATOM 0 HG12 ILE A 60 8.325 1.194 0.017 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.433 1.109 -1.730 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.490 -1.740 0.487 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.122 -2.449 0.542 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.782 -0.931 1.406 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.106 1.268 -1.003 1.00 0.69 H new ATOM 0 HD12 ILE A 60 6.406 -0.295 -1.800 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.296 -0.208 -0.026 1.00 0.69 H new ATOM 868 N GLU A 61 10.990 -0.288 1.628 1.00 0.49 N ATOM 869 CA GLU A 61 11.154 0.287 2.943 1.00 0.60 C ATOM 870 C GLU A 61 12.332 1.256 2.985 1.00 0.58 C ATOM 871 O GLU A 61 12.330 2.218 3.754 1.00 0.71 O ATOM 872 CB GLU A 61 11.368 -0.848 3.934 1.00 0.83 C ATOM 873 CG GLU A 61 10.272 -1.894 3.926 1.00 0.73 C ATOM 874 CD GLU A 61 10.672 -3.123 3.139 1.00 1.47 C ATOM 875 OE1 GLU A 61 10.746 -3.040 1.897 1.00 2.20 O ATOM 876 OE2 GLU A 61 10.896 -4.180 3.755 1.00 1.82 O ATOM 0 H GLU A 61 11.092 -1.303 1.612 1.00 0.49 H new ATOM 0 HA GLU A 61 10.261 0.856 3.202 1.00 0.60 H new ATOM 0 HB2 GLU A 61 12.319 -1.333 3.714 1.00 0.83 H new ATOM 0 HB3 GLU A 61 11.448 -0.429 4.937 1.00 0.83 H new ATOM 0 HG2 GLU A 61 10.035 -2.180 4.951 1.00 0.73 H new ATOM 0 HG3 GLU A 61 9.366 -1.467 3.497 1.00 0.73 H new ATOM 883 N ASP A 62 13.329 0.996 2.153 1.00 0.54 N ATOM 884 CA ASP A 62 14.505 1.855 2.073 1.00 0.60 C ATOM 885 C ASP A 62 14.480 2.673 0.789 1.00 0.51 C ATOM 886 O ASP A 62 15.123 3.720 0.690 1.00 0.65 O ATOM 887 CB ASP A 62 15.784 1.016 2.124 1.00 0.75 C ATOM 888 CG ASP A 62 17.036 1.866 2.040 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.409 2.485 3.058 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.656 1.918 0.954 1.00 1.98 O ATOM 0 H ASP A 62 13.349 0.195 1.521 1.00 0.54 H new ATOM 0 HA ASP A 62 14.490 2.533 2.926 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.801 0.440 3.049 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.779 0.300 1.302 1.00 0.75 H new ATOM 895 N GLU A 63 13.709 2.200 -0.181 1.00 0.40 N ATOM 896 CA GLU A 63 13.684 2.802 -1.503 1.00 0.40 C ATOM 897 C GLU A 63 13.079 4.196 -1.459 1.00 0.34 C ATOM 898 O GLU A 63 13.567 5.123 -2.109 1.00 0.42 O ATOM 899 CB GLU A 63 12.864 1.945 -2.459 1.00 0.43 C ATOM 900 CG GLU A 63 12.999 2.385 -3.895 1.00 0.64 C ATOM 901 CD GLU A 63 12.041 1.676 -4.815 1.00 1.40 C ATOM 902 OE1 GLU A 63 10.972 2.244 -5.092 1.00 2.09 O ATOM 903 OE2 GLU A 63 12.359 0.562 -5.267 1.00 1.68 O ATOM 0 H GLU A 63 13.090 1.396 -0.074 1.00 0.40 H new ATOM 0 HA GLU A 63 14.714 2.869 -1.852 1.00 0.40 H new ATOM 0 HB2 GLU A 63 13.179 0.905 -2.370 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.814 1.985 -2.168 1.00 0.43 H new ATOM 0 HG2 GLU A 63 12.828 3.460 -3.958 1.00 0.64 H new ATOM 0 HG3 GLU A 63 14.020 2.204 -4.231 1.00 0.64 H new ATOM 910 N CYS A 64 12.022 4.342 -0.687 1.00 0.29 N ATOM 911 CA CYS A 64 11.325 5.606 -0.599 1.00 0.32 C ATOM 912 C CYS A 64 11.656 6.284 0.722 1.00 0.40 C ATOM 913 O CYS A 64 12.517 5.812 1.464 1.00 0.60 O ATOM 914 CB CYS A 64 9.823 5.374 -0.728 1.00 0.33 C ATOM 915 SG CYS A 64 9.071 4.580 0.730 1.00 0.47 S ATOM 0 H CYS A 64 11.627 3.599 -0.111 1.00 0.29 H new ATOM 0 HA CYS A 64 11.645 6.258 -1.411 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.331 6.331 -0.903 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.635 4.754 -1.605 1.00 0.33 H new ATOM 920 N LYS A 65 10.992 7.395 1.011 1.00 0.43 N ATOM 921 CA LYS A 65 11.243 8.124 2.247 1.00 0.51 C ATOM 922 C LYS A 65 9.934 8.472 2.946 1.00 0.45 C ATOM 923 O LYS A 65 9.740 9.593 3.422 1.00 0.60 O ATOM 924 CB LYS A 65 12.075 9.378 1.964 1.00 0.69 C ATOM 925 CG LYS A 65 13.489 9.065 1.491 1.00 1.41 C ATOM 926 CD LYS A 65 14.313 8.424 2.598 1.00 1.33 C ATOM 927 CE LYS A 65 15.643 7.886 2.088 1.00 1.77 C ATOM 928 NZ LYS A 65 15.475 6.676 1.237 1.00 2.32 N ATOM 0 H LYS A 65 10.279 7.809 0.410 1.00 0.43 H new ATOM 0 HA LYS A 65 11.814 7.484 2.920 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.570 9.978 1.207 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.127 9.984 2.869 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.448 8.396 0.632 1.00 1.41 H new ATOM 0 HG3 LYS A 65 13.975 9.982 1.158 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.497 9.158 3.383 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.743 7.611 3.049 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.151 8.662 1.515 1.00 1.77 H new ATOM 0 HE3 LYS A 65 16.284 7.645 2.936 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.117 5.927 1.567 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 14.492 6.341 1.299 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.698 6.913 0.249 1.00 2.32 H new ATOM 942 N ASN A 66 9.038 7.495 2.984 1.00 0.35 N ATOM 943 CA ASN A 66 7.783 7.599 3.723 1.00 0.30 C ATOM 944 C ASN A 66 7.538 6.283 4.445 1.00 0.29 C ATOM 945 O ASN A 66 8.417 5.420 4.457 1.00 0.41 O ATOM 946 CB ASN A 66 6.601 7.928 2.798 1.00 0.36 C ATOM 947 CG ASN A 66 6.656 9.337 2.240 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.163 10.283 2.855 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.234 9.484 1.059 1.00 1.02 N ATOM 0 H ASN A 66 9.160 6.604 2.502 1.00 0.35 H new ATOM 0 HA ASN A 66 7.863 8.416 4.440 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.585 7.217 1.972 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.669 7.798 3.349 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.283 10.406 0.626 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.631 8.675 0.581 1.00 1.02 H new ATOM 956 N THR A 67 6.361 6.105 5.031 1.00 0.28 N ATOM 957 CA THR A 67 6.087 4.898 5.785 1.00 0.27 C ATOM 958 C THR A 67 5.693 3.743 4.872 1.00 0.25 C ATOM 959 O THR A 67 4.732 3.831 4.107 1.00 0.26 O ATOM 960 CB THR A 67 4.982 5.100 6.835 1.00 0.29 C ATOM 961 OG1 THR A 67 5.261 6.259 7.630 1.00 0.34 O ATOM 962 CG2 THR A 67 4.888 3.873 7.734 1.00 0.31 C ATOM 0 H THR A 67 5.592 6.774 4.998 1.00 0.28 H new ATOM 0 HA THR A 67 7.016 4.655 6.300 1.00 0.27 H new ATOM 0 HB THR A 67 4.032 5.242 6.320 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.550 6.379 8.294 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.103 4.024 8.475 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.653 2.997 7.130 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.841 3.719 8.241 1.00 0.31 H new ATOM 970 N PRO A 68 6.452 2.653 4.952 1.00 0.28 N ATOM 971 CA PRO A 68 6.144 1.415 4.257 1.00 0.30 C ATOM 972 C PRO A 68 4.888 0.767 4.825 1.00 0.25 C ATOM 973 O PRO A 68 4.803 0.514 6.029 1.00 0.28 O ATOM 974 CB PRO A 68 7.346 0.508 4.524 1.00 0.38 C ATOM 975 CG PRO A 68 8.292 1.263 5.398 1.00 0.45 C ATOM 976 CD PRO A 68 7.660 2.565 5.767 1.00 0.38 C ATOM 0 HA PRO A 68 5.965 1.587 3.196 1.00 0.30 H new ATOM 0 HB2 PRO A 68 7.029 -0.415 5.009 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.830 0.227 3.588 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.522 0.686 6.294 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.234 1.433 4.878 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.420 2.598 6.830 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.332 3.399 5.565 1.00 0.38 H new ATOM 984 N THR A 69 3.909 0.509 3.980 1.00 0.23 N ATOM 985 CA THR A 69 2.678 -0.105 4.436 1.00 0.21 C ATOM 986 C THR A 69 2.271 -1.265 3.532 1.00 0.23 C ATOM 987 O THR A 69 2.585 -1.278 2.341 1.00 0.29 O ATOM 988 CB THR A 69 1.525 0.922 4.488 1.00 0.24 C ATOM 989 OG1 THR A 69 1.324 1.509 3.201 1.00 0.31 O ATOM 990 CG2 THR A 69 1.795 2.028 5.499 1.00 0.30 C ATOM 0 H THR A 69 3.941 0.713 2.981 1.00 0.23 H new ATOM 0 HA THR A 69 2.866 -0.483 5.441 1.00 0.21 H new ATOM 0 HB THR A 69 0.630 0.382 4.797 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.192 1.660 2.771 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.960 2.728 5.504 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.910 1.593 6.492 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.709 2.555 5.226 1.00 0.30 H new ATOM 998 N CYS A 70 1.598 -2.246 4.114 1.00 0.23 N ATOM 999 CA CYS A 70 1.015 -3.339 3.353 1.00 0.27 C ATOM 1000 C CYS A 70 -0.438 -3.023 3.045 1.00 0.22 C ATOM 1001 O CYS A 70 -1.272 -2.961 3.950 1.00 0.27 O ATOM 1002 CB CYS A 70 1.109 -4.657 4.130 1.00 0.38 C ATOM 1003 SG CYS A 70 0.122 -6.022 3.420 1.00 1.26 S ATOM 0 H CYS A 70 1.442 -2.307 5.120 1.00 0.23 H new ATOM 0 HA CYS A 70 1.571 -3.452 2.422 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.154 -4.965 4.175 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.783 -4.484 5.156 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.735 -2.801 1.779 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.080 -2.462 1.360 1.00 0.19 C ATOM 1010 C CYS A 71 -2.788 -3.689 0.817 1.00 0.21 C ATOM 1011 O CYS A 71 -2.197 -4.508 0.110 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.045 -1.370 0.290 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.144 0.130 0.789 1.00 0.29 S ATOM 0 H CYS A 71 -0.057 -2.850 1.018 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.627 -2.091 2.227 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.585 -1.774 -0.612 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.068 -1.097 0.031 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.055 -3.814 1.166 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.878 -4.895 0.691 1.00 0.24 C ATOM 1020 C GLU A 72 -5.304 -4.614 -0.752 1.00 0.25 C ATOM 1021 O GLU A 72 -5.586 -5.527 -1.529 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.062 -5.062 1.651 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.312 -5.601 1.011 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.310 -6.092 2.033 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.156 -5.292 2.479 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.236 -7.279 2.413 1.00 1.37 O ATOM 0 H GLU A 72 -4.537 -3.165 1.788 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.331 -5.838 0.676 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.766 -5.730 2.460 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.287 -4.095 2.102 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.771 -4.822 0.402 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.051 -6.418 0.339 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.299 -3.332 -1.099 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.504 -2.882 -2.471 1.00 0.24 C ATOM 1035 C ASP A 73 -5.044 -1.436 -2.576 1.00 0.22 C ATOM 1036 O ASP A 73 -4.829 -0.792 -1.554 1.00 0.19 O ATOM 1037 CB ASP A 73 -6.967 -2.999 -2.879 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.161 -2.762 -4.361 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.262 -2.344 -4.757 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.205 -2.991 -5.132 1.00 1.03 O ATOM 0 H ASP A 73 -5.152 -2.573 -0.434 1.00 0.21 H new ATOM 0 HA ASP A 73 -4.926 -3.514 -3.146 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.338 -3.990 -2.618 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.560 -2.278 -2.316 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.860 -0.928 -3.789 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.464 0.466 -3.969 1.00 0.30 C ATOM 1047 C VAL A 74 -5.167 1.065 -5.187 1.00 0.43 C ATOM 1048 O VAL A 74 -5.260 0.426 -6.235 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.932 0.642 -4.143 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.512 2.037 -3.724 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.146 -0.397 -3.359 1.00 1.07 C ATOM 0 H VAL A 74 -4.977 -1.453 -4.655 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.761 0.987 -3.059 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.706 0.498 -5.200 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.435 2.146 -3.851 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.027 2.773 -4.342 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.772 2.196 -2.677 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.079 -0.236 -3.510 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.380 -0.306 -2.298 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.415 -1.395 -3.706 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.664 2.283 -5.038 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.340 2.983 -6.120 1.00 0.46 C ATOM 1063 C GLU A 75 -5.387 3.997 -6.754 1.00 0.50 C ATOM 1064 O GLU A 75 -4.362 4.352 -6.156 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.607 3.673 -5.593 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.524 4.209 -6.684 1.00 0.98 C ATOM 1067 CD GLU A 75 -9.771 4.864 -6.129 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.736 6.078 -5.852 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.797 4.171 -5.970 1.00 1.85 O ATOM 0 H GLU A 75 -5.611 2.813 -4.168 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.639 2.265 -6.884 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.165 2.965 -4.980 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.315 4.497 -4.942 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -7.978 4.932 -7.290 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.811 3.392 -7.345 1.00 0.98 H new ATOM 1076 N ASP A 76 -5.725 4.452 -7.962 1.00 0.61 N ATOM 1077 CA ASP A 76 -4.852 5.318 -8.759 1.00 0.65 C ATOM 1078 C ASP A 76 -3.563 4.580 -9.084 1.00 0.67 C ATOM 1079 O ASP A 76 -3.542 3.348 -9.118 1.00 0.69 O ATOM 1080 CB ASP A 76 -4.534 6.648 -8.045 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.761 7.500 -7.798 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.030 7.834 -6.626 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.478 7.812 -8.769 1.00 1.15 O ATOM 0 H ASP A 76 -6.611 4.231 -8.416 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.383 5.566 -9.678 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.050 6.435 -7.092 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -3.821 7.214 -8.645 1.00 0.61 H new ATOM 1088 N ASP A 77 -2.489 5.318 -9.318 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.180 4.710 -9.532 1.00 0.77 C ATOM 1090 C ASP A 77 -0.572 4.298 -8.188 1.00 0.67 C ATOM 1091 O ASP A 77 0.577 3.863 -8.105 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.256 5.684 -10.274 1.00 0.89 C ATOM 1093 CG ASP A 77 1.015 5.028 -10.779 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.920 4.067 -11.576 1.00 1.59 O ATOM 1095 OD2 ASP A 77 2.117 5.481 -10.402 1.00 2.12 O ATOM 0 H ASP A 77 -2.495 6.337 -9.365 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.296 3.818 -10.148 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -0.795 6.116 -11.117 1.00 0.89 H new ATOM 0 HB3 ASP A 77 0.006 6.506 -9.608 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.378 4.409 -7.138 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.929 4.068 -5.808 1.00 0.44 C ATOM 1102 C GLY A 78 -1.027 5.234 -4.843 1.00 0.33 C ATOM 1103 O GLY A 78 -0.331 5.271 -3.833 1.00 0.35 O ATOM 0 H GLY A 78 -2.344 4.733 -7.190 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.524 3.237 -5.430 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.105 3.725 -5.854 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.889 6.191 -5.162 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.060 7.381 -4.341 1.00 0.22 C ATOM 1109 C LEU A 79 -3.020 7.135 -3.188 1.00 0.19 C ATOM 1110 O LEU A 79 -2.987 7.843 -2.184 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.600 8.530 -5.190 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.658 9.123 -6.248 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -0.487 9.830 -5.590 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -1.156 8.075 -7.233 1.00 0.94 C ATOM 0 H LEU A 79 -2.484 6.165 -5.990 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.082 7.637 -3.933 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.500 8.182 -5.696 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.902 9.333 -4.518 1.00 0.26 H new ATOM 0 HG LEU A 79 -2.240 9.849 -6.816 1.00 0.32 H new ATOM 0 HD11 LEU A 79 0.167 10.242 -6.358 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -0.858 10.637 -4.958 1.00 1.10 H new ATOM 0 HD13 LEU A 79 0.072 9.119 -4.981 1.00 1.10 H new ATOM 0 HD21 LEU A 79 -0.494 8.546 -7.960 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.610 7.301 -6.694 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -2.004 7.627 -7.751 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.891 6.156 -3.338 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.875 5.859 -2.310 1.00 0.20 C ATOM 1128 C VAL A 80 -4.844 4.380 -1.975 1.00 0.20 C ATOM 1129 O VAL A 80 -5.289 3.549 -2.761 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.302 6.267 -2.746 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.322 5.907 -1.675 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.361 7.756 -3.058 1.00 0.33 C ATOM 0 H VAL A 80 -3.939 5.553 -4.159 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.616 6.442 -1.426 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.550 5.713 -3.651 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.317 6.204 -2.006 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.303 4.831 -1.502 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.077 6.428 -0.749 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.373 8.024 -3.363 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.087 8.325 -2.170 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.666 7.986 -3.865 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.306 4.057 -0.816 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.151 2.671 -0.444 1.00 0.21 C ATOM 1144 C GLY A 81 -5.267 2.187 0.448 1.00 0.20 C ATOM 1145 O GLY A 81 -5.765 2.934 1.288 1.00 0.26 O ATOM 0 H GLY A 81 -3.973 4.729 -0.125 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.117 2.058 -1.344 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.198 2.539 0.068 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.658 0.938 0.264 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.725 0.342 1.039 1.00 0.17 C ATOM 1151 C ILE A 82 -6.146 -0.558 2.112 1.00 0.17 C ATOM 1152 O ILE A 82 -5.431 -1.519 1.809 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.695 -0.479 0.154 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.651 0.435 -0.612 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.482 -1.476 0.989 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -7.976 1.295 -1.653 1.00 0.30 C ATOM 0 H ILE A 82 -5.244 0.312 -0.426 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.288 1.156 1.495 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.092 -1.030 -0.568 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.411 -0.177 -1.098 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.168 1.080 0.098 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.156 -2.040 0.344 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.793 -2.162 1.482 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.063 -0.942 1.741 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.721 1.914 -2.152 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.236 1.935 -1.172 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.483 0.658 -2.387 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.434 -0.218 3.356 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.065 -1.054 4.493 1.00 0.21 C ATOM 1170 C ASN A 83 -4.552 -1.211 4.573 1.00 0.22 C ATOM 1171 O ASN A 83 -4.032 -2.303 4.799 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.761 -2.417 4.385 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.232 -2.337 4.745 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.649 -1.485 5.533 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.035 -3.216 4.167 1.00 0.29 N ATOM 0 H ASN A 83 -6.927 0.638 3.609 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.396 -0.571 5.413 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.657 -2.797 3.369 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.265 -3.130 5.044 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.035 -3.203 4.368 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.654 -3.907 3.520 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.855 -0.100 4.379 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.400 -0.092 4.375 1.00 0.23 C ATOM 1184 C CYS A 84 -1.851 -0.024 5.793 1.00 0.25 C ATOM 1185 O CYS A 84 -1.789 1.046 6.397 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.887 1.096 3.567 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.517 1.162 1.865 1.00 0.81 S ATOM 0 H CYS A 84 -4.279 0.814 4.221 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.056 -1.019 3.916 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.162 2.017 4.081 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.798 1.060 3.539 1.00 0.26 H new ATOM 1192 N THR A 85 -1.461 -1.171 6.321 1.00 0.25 N ATOM 1193 CA THR A 85 -0.882 -1.242 7.651 1.00 0.28 C ATOM 1194 C THR A 85 0.632 -1.066 7.583 1.00 0.24 C ATOM 1195 O THR A 85 1.305 -1.692 6.763 1.00 0.23 O ATOM 1196 CB THR A 85 -1.225 -2.585 8.322 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.629 -2.838 8.193 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.848 -2.567 9.794 1.00 0.44 C ATOM 0 H THR A 85 -1.535 -2.071 5.846 1.00 0.25 H new ATOM 0 HA THR A 85 -1.305 -0.435 8.249 1.00 0.28 H new ATOM 0 HB THR A 85 -0.657 -3.374 7.828 1.00 0.36 H new ATOM 0 HG1 THR A 85 -2.848 -3.693 8.618 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.100 -3.526 10.246 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.223 -2.389 9.893 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.396 -1.772 10.300 1.00 0.44 H new ATOM 1206 N PRO A 86 1.172 -0.194 8.441 1.00 0.26 N ATOM 1207 CA PRO A 86 2.581 0.125 8.459 1.00 0.28 C ATOM 1208 C PRO A 86 3.429 -1.045 8.931 1.00 0.33 C ATOM 1209 O PRO A 86 3.187 -1.617 9.996 1.00 0.39 O ATOM 1210 CB PRO A 86 2.694 1.311 9.405 1.00 0.37 C ATOM 1211 CG PRO A 86 1.421 1.385 10.154 1.00 0.35 C ATOM 1212 CD PRO A 86 0.427 0.524 9.464 1.00 0.29 C ATOM 0 HA PRO A 86 2.953 0.354 7.460 1.00 0.28 H new ATOM 0 HB2 PRO A 86 3.536 1.183 10.086 1.00 0.37 H new ATOM 0 HB3 PRO A 86 2.870 2.232 8.850 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.565 1.052 11.182 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.066 2.415 10.200 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.045 -0.167 10.163 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.369 1.122 9.021 1.00 0.29 H new ATOM 1220 N ILE A 87 4.412 -1.402 8.127 1.00 0.37 N ATOM 1221 CA ILE A 87 5.233 -2.563 8.386 1.00 0.47 C ATOM 1222 C ILE A 87 6.617 -2.157 8.881 1.00 0.57 C ATOM 1223 O ILE A 87 7.094 -1.061 8.579 1.00 0.56 O ATOM 1224 CB ILE A 87 5.364 -3.417 7.115 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.713 -2.539 5.911 1.00 0.41 C ATOM 1226 CG2 ILE A 87 4.075 -4.183 6.866 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.090 -3.321 4.674 1.00 0.49 C ATOM 0 H ILE A 87 4.662 -0.895 7.278 1.00 0.37 H new ATOM 0 HA ILE A 87 4.747 -3.150 9.165 1.00 0.47 H new ATOM 0 HB ILE A 87 6.173 -4.134 7.257 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.861 -1.900 5.680 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.540 -1.882 6.180 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.178 -4.785 5.963 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.869 -4.835 7.715 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.252 -3.479 6.741 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.324 -2.630 3.864 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.962 -3.940 4.886 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.257 -3.958 4.378 1.00 0.49 H new ATOM 1239 N PRO A 88 7.268 -3.024 9.673 1.00 0.73 N ATOM 1240 CA PRO A 88 8.606 -2.772 10.209 1.00 0.86 C ATOM 1241 C PRO A 88 9.684 -2.820 9.131 1.00 0.92 C ATOM 1242 O PRO A 88 9.541 -3.512 8.122 1.00 0.96 O ATOM 1243 CB PRO A 88 8.816 -3.915 11.210 1.00 1.05 C ATOM 1244 CG PRO A 88 7.469 -4.499 11.428 1.00 1.04 C ATOM 1245 CD PRO A 88 6.759 -4.323 10.128 1.00 0.85 C ATOM 0 HA PRO A 88 8.680 -1.778 10.650 1.00 0.86 H new ATOM 0 HB2 PRO A 88 9.508 -4.660 10.817 1.00 1.05 H new ATOM 0 HB3 PRO A 88 9.241 -3.547 12.144 1.00 1.05 H new ATOM 0 HG2 PRO A 88 7.535 -5.552 11.703 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.944 -3.991 12.237 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.993 -5.122 9.424 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.676 -4.315 10.253 1.00 0.85 H new