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 Set 1.1: A 12 ASN : amide:sc= -6! K(o=-4.7!,f=0.66) USER MOD Set 1.2: A 13 THR OG1 : rot 151:sc= 1.28 USER MOD Set 2.1: A 8 THR OG1 : rot 158:sc= 1.22 USER MOD Set 2.2: A 10 SER OG : rot 110:sc= 0.46 USER MOD Single : A 6 SER OG : rot 58:sc= 0.774 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 1.18 (180deg=1.13) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 0.359! (180deg=-0.162!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.059) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= 0.518 (180deg=0.36) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 44:sc= 0.684 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.0914 X(o=0.091,f=-0.084) USER MOD Single : A 48 GLN : amide:sc= -1.36! X(o=-1.4!,f=-0.9) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.22 X(o=-2.2,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0731) 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 -36:sc= 0.76 USER MOD Single : A 83 ASN : amide:sc= -2.9! C(o=-2.9!,f=-10!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 6.079 -6.512 -4.362 1.00 0.81 N ATOM 29 CA TRP A 4 7.312 -6.028 -3.766 1.00 0.60 C ATOM 30 C TRP A 4 8.073 -7.152 -3.090 1.00 0.62 C ATOM 31 O TRP A 4 7.539 -8.246 -2.886 1.00 0.74 O ATOM 32 CB TRP A 4 7.016 -4.934 -2.747 1.00 0.45 C ATOM 33 CG TRP A 4 6.939 -3.575 -3.352 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.815 -2.902 -3.723 1.00 0.42 C ATOM 35 CD2 TRP A 4 8.043 -2.727 -3.669 1.00 0.36 C ATOM 36 NE1 TRP A 4 6.154 -1.676 -4.240 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.517 -1.548 -4.221 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.427 -2.853 -3.538 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.327 -0.499 -4.636 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.230 -1.810 -3.952 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.679 -0.647 -4.495 1.00 0.52 C ATOM 0 HA TRP A 4 7.928 -5.622 -4.568 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.073 -5.157 -2.248 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.791 -4.940 -1.981 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.807 -3.277 -3.625 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.497 -0.975 -4.582 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.861 -3.750 -3.121 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.904 0.402 -5.055 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.302 -1.894 -3.855 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.334 0.152 -4.810 1.00 0.52 H new ATOM 52 N GLU A 5 9.326 -6.872 -2.755 1.00 0.66 N ATOM 53 CA GLU A 5 10.152 -7.807 -2.021 1.00 0.73 C ATOM 54 C GLU A 5 9.560 -7.989 -0.624 1.00 0.67 C ATOM 55 O GLU A 5 9.636 -7.092 0.220 1.00 0.78 O ATOM 56 CB GLU A 5 11.582 -7.263 -1.960 1.00 0.96 C ATOM 57 CG GLU A 5 12.660 -8.331 -1.934 1.00 1.49 C ATOM 58 CD GLU A 5 12.751 -9.044 -0.607 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.030 -10.041 -0.420 1.00 2.65 O ATOM 60 OE2 GLU A 5 13.543 -8.609 0.252 1.00 2.73 O ATOM 0 H GLU A 5 9.791 -5.994 -2.985 1.00 0.66 H new ATOM 0 HA GLU A 5 10.179 -8.779 -2.513 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.749 -6.617 -2.822 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.683 -6.641 -1.071 1.00 0.96 H new ATOM 0 HG2 GLU A 5 12.460 -9.060 -2.719 1.00 1.49 H new ATOM 0 HG3 GLU A 5 13.623 -7.873 -2.161 1.00 1.49 H new ATOM 67 N SER A 6 8.976 -9.154 -0.389 1.00 0.74 N ATOM 68 CA SER A 6 8.142 -9.380 0.784 1.00 0.87 C ATOM 69 C SER A 6 8.832 -10.259 1.827 1.00 0.88 C ATOM 70 O SER A 6 8.162 -10.959 2.586 1.00 0.90 O ATOM 71 CB SER A 6 6.820 -10.017 0.351 1.00 1.16 C ATOM 72 OG SER A 6 6.166 -9.224 -0.630 1.00 1.75 O ATOM 0 H SER A 6 9.065 -9.965 -1.001 1.00 0.74 H new ATOM 0 HA SER A 6 7.957 -8.414 1.253 1.00 0.87 H new ATOM 0 HB2 SER A 6 7.007 -11.014 -0.048 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.170 -10.138 1.218 1.00 1.16 H new ATOM 0 HG SER A 6 6.754 -9.113 -1.406 1.00 1.75 H new ATOM 78 N LYS A 7 10.164 -10.217 1.860 1.00 0.95 N ATOM 79 CA LYS A 7 10.962 -11.046 2.778 1.00 1.09 C ATOM 80 C LYS A 7 10.483 -10.952 4.236 1.00 1.03 C ATOM 81 O LYS A 7 10.696 -11.872 5.022 1.00 1.09 O ATOM 82 CB LYS A 7 12.449 -10.661 2.704 1.00 1.37 C ATOM 83 CG LYS A 7 12.840 -9.433 3.527 1.00 1.65 C ATOM 84 CD LYS A 7 12.279 -8.137 2.957 1.00 2.11 C ATOM 85 CE LYS A 7 12.675 -6.939 3.810 1.00 2.79 C ATOM 86 NZ LYS A 7 12.290 -5.647 3.184 1.00 3.24 N ATOM 0 H LYS A 7 10.722 -9.613 1.257 1.00 0.95 H new ATOM 0 HA LYS A 7 10.828 -12.077 2.452 1.00 1.09 H new ATOM 0 HB2 LYS A 7 13.046 -11.509 3.039 1.00 1.37 H new ATOM 0 HB3 LYS A 7 12.710 -10.479 1.662 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.484 -9.559 4.550 1.00 1.65 H new ATOM 0 HG3 LYS A 7 13.927 -9.364 3.574 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.643 -7.997 1.939 1.00 2.11 H new ATOM 0 HD3 LYS A 7 11.192 -8.203 2.901 1.00 2.11 H new ATOM 0 HE2 LYS A 7 12.202 -7.021 4.789 1.00 2.79 H new ATOM 0 HE3 LYS A 7 13.752 -6.953 3.974 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 12.211 -4.915 3.919 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 13.015 -5.367 2.493 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 11.375 -5.754 2.702 1.00 3.24 H new ATOM 100 N THR A 8 9.839 -9.847 4.589 1.00 1.01 N ATOM 101 CA THR A 8 9.392 -9.632 5.956 1.00 1.08 C ATOM 102 C THR A 8 8.208 -10.537 6.315 1.00 0.93 C ATOM 103 O THR A 8 8.028 -10.910 7.475 1.00 1.03 O ATOM 104 CB THR A 8 9.028 -8.146 6.194 1.00 1.25 C ATOM 105 OG1 THR A 8 8.422 -7.979 7.478 1.00 2.05 O ATOM 106 CG2 THR A 8 8.091 -7.623 5.111 1.00 1.66 C ATOM 0 H THR A 8 9.615 -9.087 3.947 1.00 1.01 H new ATOM 0 HA THR A 8 10.223 -9.895 6.611 1.00 1.08 H new ATOM 0 HB THR A 8 9.953 -7.571 6.155 1.00 1.25 H new ATOM 0 HG1 THR A 8 8.510 -7.045 7.762 1.00 2.05 H new ATOM 0 HG21 THR A 8 7.855 -6.577 5.308 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.575 -7.709 4.138 1.00 1.66 H new ATOM 0 HG23 THR A 8 7.172 -8.209 5.111 1.00 1.66 H new ATOM 114 N GLY A 9 7.408 -10.900 5.314 1.00 0.79 N ATOM 115 CA GLY A 9 6.273 -11.781 5.539 1.00 0.79 C ATOM 116 C GLY A 9 5.124 -11.104 6.269 1.00 0.69 C ATOM 117 O GLY A 9 4.102 -11.727 6.544 1.00 0.88 O ATOM 0 H GLY A 9 7.527 -10.598 4.347 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.915 -12.154 4.579 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.601 -12.646 6.115 1.00 0.79 H new ATOM 121 N SER A 10 5.289 -9.824 6.571 1.00 0.61 N ATOM 122 CA SER A 10 4.300 -9.077 7.334 1.00 0.73 C ATOM 123 C SER A 10 3.103 -8.682 6.475 1.00 0.64 C ATOM 124 O SER A 10 2.053 -8.318 6.997 1.00 0.73 O ATOM 125 CB SER A 10 4.945 -7.831 7.934 1.00 0.96 C ATOM 126 OG SER A 10 6.095 -8.169 8.690 1.00 1.72 O ATOM 0 H SER A 10 6.106 -9.278 6.296 1.00 0.61 H new ATOM 0 HA SER A 10 3.935 -9.723 8.132 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.219 -7.140 7.137 1.00 0.96 H new ATOM 0 HB3 SER A 10 4.226 -7.315 8.570 1.00 0.96 H new ATOM 0 HG SER A 10 6.897 -7.854 8.223 1.00 1.72 H new ATOM 132 N CYS A 11 3.251 -8.759 5.162 1.00 0.52 N ATOM 133 CA CYS A 11 2.167 -8.377 4.272 1.00 0.44 C ATOM 134 C CYS A 11 1.488 -9.618 3.707 1.00 0.41 C ATOM 135 O CYS A 11 2.151 -10.600 3.371 1.00 0.43 O ATOM 136 CB CYS A 11 2.714 -7.510 3.135 1.00 0.41 C ATOM 137 SG CYS A 11 1.431 -6.850 2.027 1.00 1.19 S ATOM 0 H CYS A 11 4.099 -9.078 4.694 1.00 0.52 H new ATOM 0 HA CYS A 11 1.430 -7.804 4.834 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.274 -6.678 3.563 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.418 -8.100 2.548 1.00 0.41 H new ATOM 142 N ASN A 12 0.164 -9.574 3.609 1.00 0.46 N ATOM 143 CA ASN A 12 -0.600 -10.710 3.099 1.00 0.53 C ATOM 144 C ASN A 12 -0.890 -10.603 1.603 1.00 0.47 C ATOM 145 O ASN A 12 -1.161 -11.607 0.950 1.00 0.57 O ATOM 146 CB ASN A 12 -1.901 -10.906 3.897 1.00 0.69 C ATOM 147 CG ASN A 12 -2.729 -9.641 4.083 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.337 -9.447 5.134 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.787 -8.787 3.075 1.00 1.03 N ATOM 0 H ASN A 12 -0.402 -8.768 3.874 1.00 0.46 H new ATOM 0 HA ASN A 12 0.027 -11.591 3.236 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.512 -11.653 3.391 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.652 -11.309 4.879 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.348 -7.939 3.157 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.271 -8.976 2.216 1.00 1.03 H new ATOM 156 N THR A 13 -0.843 -9.391 1.061 1.00 0.38 N ATOM 157 CA THR A 13 -1.226 -9.172 -0.330 1.00 0.37 C ATOM 158 C THR A 13 -0.018 -8.968 -1.235 1.00 0.35 C ATOM 159 O THR A 13 -0.046 -9.321 -2.412 1.00 0.44 O ATOM 160 CB THR A 13 -2.153 -7.953 -0.448 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.715 -6.940 0.467 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.597 -8.334 -0.156 1.00 0.52 C ATOM 0 H THR A 13 -0.546 -8.551 1.558 1.00 0.38 H new ATOM 0 HA THR A 13 -1.749 -10.071 -0.656 1.00 0.37 H new ATOM 0 HB THR A 13 -2.108 -7.573 -1.469 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.943 -6.056 0.110 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.231 -7.452 -0.247 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.925 -9.091 -0.868 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.671 -8.732 0.856 1.00 0.52 H new ATOM 170 N GLY A 14 1.042 -8.398 -0.680 1.00 0.29 N ATOM 171 CA GLY A 14 2.232 -8.133 -1.463 1.00 0.31 C ATOM 172 C GLY A 14 2.291 -6.695 -1.937 1.00 0.30 C ATOM 173 O GLY A 14 3.267 -6.279 -2.563 1.00 0.43 O ATOM 0 H GLY A 14 1.099 -8.114 0.298 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.116 -8.354 -0.865 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.255 -8.800 -2.325 1.00 0.31 H new ATOM 177 N LYS A 15 1.245 -5.934 -1.634 1.00 0.24 N ATOM 178 CA LYS A 15 1.192 -4.530 -2.017 1.00 0.25 C ATOM 179 C LYS A 15 1.841 -3.672 -0.939 1.00 0.24 C ATOM 180 O LYS A 15 1.177 -3.203 -0.014 1.00 0.25 O ATOM 181 CB LYS A 15 -0.262 -4.090 -2.233 1.00 0.31 C ATOM 182 CG LYS A 15 -0.992 -4.896 -3.292 1.00 0.41 C ATOM 183 CD LYS A 15 -2.479 -4.575 -3.329 1.00 0.57 C ATOM 184 CE LYS A 15 -3.193 -5.467 -4.325 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.673 -5.341 -4.260 1.00 1.64 N ATOM 0 H LYS A 15 0.425 -6.266 -1.126 1.00 0.24 H new ATOM 0 HA LYS A 15 1.738 -4.402 -2.952 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.802 -4.173 -1.290 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.276 -3.038 -2.516 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.553 -4.693 -4.269 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.856 -5.960 -3.096 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -2.910 -4.710 -2.337 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.624 -3.529 -3.600 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.857 -5.220 -5.332 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.914 -6.504 -4.141 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -5.111 -6.098 -4.822 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.985 -5.419 -3.271 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.960 -4.417 -4.641 1.00 1.64 H new ATOM 199 N LEU A 16 3.146 -3.489 -1.055 1.00 0.26 N ATOM 200 CA LEU A 16 3.887 -2.658 -0.130 1.00 0.30 C ATOM 201 C LEU A 16 3.997 -1.241 -0.670 1.00 0.33 C ATOM 202 O LEU A 16 4.783 -0.974 -1.576 1.00 0.55 O ATOM 203 CB LEU A 16 5.285 -3.237 0.111 1.00 0.35 C ATOM 204 CG LEU A 16 5.355 -4.460 1.032 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.631 -5.644 0.429 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.801 -4.820 1.333 1.00 0.43 C ATOM 0 H LEU A 16 3.715 -3.911 -1.789 1.00 0.26 H new ATOM 0 HA LEU A 16 3.351 -2.635 0.819 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.716 -3.508 -0.853 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.914 -2.453 0.532 1.00 0.35 H new ATOM 0 HG LEU A 16 4.857 -4.202 1.967 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.699 -6.495 1.106 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.583 -5.388 0.272 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.089 -5.903 -0.526 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.830 -5.691 1.988 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.320 -5.049 0.402 1.00 0.43 H new ATOM 0 HD23 LEU A 16 7.291 -3.979 1.825 1.00 0.43 H new ATOM 218 N ALA A 17 3.200 -0.339 -0.131 1.00 0.27 N ATOM 219 CA ALA A 17 3.225 1.044 -0.572 1.00 0.27 C ATOM 220 C ALA A 17 3.715 1.953 0.538 1.00 0.24 C ATOM 221 O ALA A 17 3.610 1.626 1.722 1.00 0.28 O ATOM 222 CB ALA A 17 1.848 1.487 -1.044 1.00 0.29 C ATOM 0 H ALA A 17 2.529 -0.537 0.611 1.00 0.27 H new ATOM 0 HA ALA A 17 3.917 1.116 -1.411 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.892 2.526 -1.369 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.529 0.859 -1.876 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.135 1.393 -0.225 1.00 0.29 H new ATOM 228 N CYS A 18 4.277 3.079 0.146 1.00 0.26 N ATOM 229 CA CYS A 18 4.680 4.103 1.091 1.00 0.26 C ATOM 230 C CYS A 18 3.514 5.050 1.329 1.00 0.24 C ATOM 231 O CYS A 18 3.211 5.895 0.484 1.00 0.32 O ATOM 232 CB CYS A 18 5.884 4.866 0.548 1.00 0.36 C ATOM 233 SG CYS A 18 7.320 3.816 0.179 1.00 0.74 S ATOM 0 H CYS A 18 4.466 3.310 -0.829 1.00 0.26 H new ATOM 0 HA CYS A 18 4.963 3.640 2.036 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.589 5.392 -0.360 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.178 5.624 1.274 1.00 0.36 H new ATOM 238 N CYS A 19 2.858 4.904 2.469 1.00 0.21 N ATOM 239 CA CYS A 19 1.612 5.613 2.711 1.00 0.21 C ATOM 240 C CYS A 19 1.658 6.426 3.997 1.00 0.23 C ATOM 241 O CYS A 19 2.371 6.081 4.943 1.00 0.30 O ATOM 242 CB CYS A 19 0.452 4.619 2.763 1.00 0.23 C ATOM 243 SG CYS A 19 0.230 3.654 1.233 1.00 0.50 S ATOM 0 H CYS A 19 3.165 4.306 3.236 1.00 0.21 H new ATOM 0 HA CYS A 19 1.464 6.311 1.887 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.614 3.931 3.593 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.469 5.163 2.974 1.00 0.23 H new ATOM 248 N ASP A 20 0.901 7.517 4.014 1.00 0.23 N ATOM 249 CA ASP A 20 0.777 8.361 5.194 1.00 0.28 C ATOM 250 C ASP A 20 -0.431 7.951 6.009 1.00 0.28 C ATOM 251 O ASP A 20 -1.562 8.270 5.657 1.00 0.34 O ATOM 252 CB ASP A 20 0.651 9.838 4.809 1.00 0.37 C ATOM 253 CG ASP A 20 1.995 10.505 4.634 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.146 11.318 3.696 1.00 1.65 O ATOM 255 OD2 ASP A 20 2.914 10.209 5.419 1.00 1.33 O ATOM 0 H ASP A 20 0.358 7.840 3.213 1.00 0.23 H new ATOM 0 HA ASP A 20 1.681 8.232 5.789 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.084 9.922 3.882 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.085 10.364 5.578 1.00 0.37 H new ATOM 260 N THR A 21 -0.189 7.266 7.113 1.00 0.31 N ATOM 261 CA THR A 21 -1.267 6.776 7.959 1.00 0.36 C ATOM 262 C THR A 21 -1.935 7.918 8.726 1.00 0.42 C ATOM 263 O THR A 21 -2.951 7.726 9.394 1.00 0.52 O ATOM 264 CB THR A 21 -0.746 5.727 8.957 1.00 0.41 C ATOM 265 OG1 THR A 21 0.264 6.308 9.795 1.00 0.41 O ATOM 266 CG2 THR A 21 -0.168 4.525 8.226 1.00 0.43 C ATOM 0 H THR A 21 0.747 7.035 7.447 1.00 0.31 H new ATOM 0 HA THR A 21 -2.006 6.314 7.305 1.00 0.36 H new ATOM 0 HB THR A 21 -1.584 5.394 9.570 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.590 5.635 10.429 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.194 3.797 8.952 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.941 4.068 7.609 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.658 4.847 7.593 1.00 0.43 H new ATOM 274 N ASN A 22 -1.371 9.113 8.601 1.00 0.43 N ATOM 275 CA ASN A 22 -1.861 10.273 9.325 1.00 0.56 C ATOM 276 C ASN A 22 -2.782 11.065 8.422 1.00 0.50 C ATOM 277 O ASN A 22 -3.645 11.815 8.873 1.00 0.63 O ATOM 278 CB ASN A 22 -0.687 11.145 9.780 1.00 0.70 C ATOM 279 CG ASN A 22 0.000 11.866 8.631 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.877 11.312 7.973 1.00 1.87 O ATOM 281 ND2 ASN A 22 -0.383 13.111 8.394 1.00 2.20 N ATOM 0 H ASN A 22 -0.569 9.302 8.000 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.410 9.947 10.209 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -1.046 11.880 10.500 1.00 0.70 H new ATOM 0 HB3 ASN A 22 0.042 10.521 10.298 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.054 13.645 7.643 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -1.115 13.536 8.963 1.00 2.20 H new ATOM 288 N LYS A 23 -2.587 10.859 7.136 1.00 0.40 N ATOM 289 CA LYS A 23 -3.347 11.535 6.111 1.00 0.39 C ATOM 290 C LYS A 23 -4.334 10.563 5.470 1.00 0.32 C ATOM 291 O LYS A 23 -3.949 9.624 4.772 1.00 0.39 O ATOM 292 CB LYS A 23 -2.379 12.137 5.088 1.00 0.47 C ATOM 293 CG LYS A 23 -2.932 12.196 3.689 1.00 0.95 C ATOM 294 CD LYS A 23 -4.002 13.268 3.509 1.00 1.53 C ATOM 295 CE LYS A 23 -4.488 13.323 2.069 1.00 1.84 C ATOM 296 NZ LYS A 23 -5.511 14.380 1.854 1.00 2.60 N ATOM 0 H LYS A 23 -1.889 10.211 6.772 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.931 12.348 6.543 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -2.110 13.145 5.405 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -1.461 11.550 5.081 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.117 12.385 2.991 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -3.354 11.225 3.431 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -4.842 13.062 4.172 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -3.600 14.239 3.797 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -3.639 13.503 1.409 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -4.906 12.355 1.793 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 -5.810 14.377 0.858 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -6.334 14.196 2.463 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 -5.106 15.308 2.091 1.00 2.60 H new ATOM 310 N LYS A 24 -5.609 10.795 5.730 1.00 0.49 N ATOM 311 CA LYS A 24 -6.660 9.889 5.307 1.00 0.49 C ATOM 312 C LYS A 24 -7.373 10.391 4.055 1.00 0.45 C ATOM 313 O LYS A 24 -7.293 11.570 3.701 1.00 0.48 O ATOM 314 CB LYS A 24 -7.681 9.716 6.432 1.00 0.61 C ATOM 315 CG LYS A 24 -7.148 9.015 7.675 1.00 0.91 C ATOM 316 CD LYS A 24 -6.393 9.966 8.593 1.00 1.32 C ATOM 317 CE LYS A 24 -5.888 9.252 9.836 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.274 10.190 10.814 1.00 2.17 N ATOM 0 H LYS A 24 -5.943 11.614 6.238 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.193 8.933 5.072 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.055 10.699 6.718 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.531 9.151 6.049 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -7.978 8.568 8.222 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.488 8.201 7.376 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.551 10.402 8.055 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -7.046 10.789 8.884 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -6.715 8.725 10.311 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -5.154 8.499 9.547 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -4.711 9.653 11.504 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -4.658 10.861 10.312 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -6.023 10.713 11.311 1.00 2.17 H new ATOM 332 N VAL A 25 -8.069 9.475 3.395 1.00 0.46 N ATOM 333 CA VAL A 25 -8.888 9.791 2.232 1.00 0.50 C ATOM 334 C VAL A 25 -10.302 9.270 2.470 1.00 0.56 C ATOM 335 O VAL A 25 -10.489 8.250 3.134 1.00 0.57 O ATOM 336 CB VAL A 25 -8.335 9.146 0.941 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.988 9.744 -0.296 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.821 9.276 0.863 1.00 0.44 C ATOM 0 H VAL A 25 -8.082 8.488 3.652 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.880 10.873 2.100 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.581 8.085 0.975 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.579 9.270 -1.188 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -10.064 9.575 -0.257 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.790 10.815 -0.330 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.463 8.813 -0.056 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.546 10.331 0.869 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.368 8.778 1.720 1.00 0.44 H new ATOM 348 N GLN A 26 -11.291 9.958 1.926 1.00 0.66 N ATOM 349 CA GLN A 26 -12.679 9.586 2.130 1.00 0.78 C ATOM 350 C GLN A 26 -13.216 8.769 0.956 1.00 0.75 C ATOM 351 O GLN A 26 -14.427 8.704 0.733 1.00 0.87 O ATOM 352 CB GLN A 26 -13.525 10.837 2.329 1.00 0.97 C ATOM 353 CG GLN A 26 -13.188 11.603 3.597 1.00 1.71 C ATOM 354 CD GLN A 26 -14.160 12.732 3.873 1.00 2.23 C ATOM 355 OE1 GLN A 26 -15.168 12.546 4.552 1.00 2.62 O ATOM 356 NE2 GLN A 26 -13.868 13.908 3.344 1.00 2.83 N ATOM 0 H GLN A 26 -11.157 10.780 1.338 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.736 8.963 3.023 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -13.393 11.495 1.471 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.577 10.554 2.354 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -13.187 10.915 4.443 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -12.180 12.009 3.514 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -13.021 14.020 2.787 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -14.490 14.703 3.493 1.00 2.83 H new ATOM 365 N LYS A 27 -12.312 8.151 0.211 1.00 0.96 N ATOM 366 CA LYS A 27 -12.688 7.324 -0.928 1.00 1.06 C ATOM 367 C LYS A 27 -11.912 6.014 -0.903 1.00 0.94 C ATOM 368 O LYS A 27 -10.685 6.017 -0.941 1.00 1.56 O ATOM 369 CB LYS A 27 -12.418 8.065 -2.242 1.00 1.81 C ATOM 370 CG LYS A 27 -13.327 9.267 -2.483 1.00 2.36 C ATOM 371 CD LYS A 27 -14.781 8.866 -2.680 1.00 2.79 C ATOM 372 CE LYS A 27 -14.922 7.873 -3.812 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.328 7.443 -4.016 1.00 4.07 N ATOM 0 H LYS A 27 -11.307 8.207 0.375 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.754 7.108 -0.861 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.381 8.401 -2.250 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.533 7.366 -3.070 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -13.253 9.950 -1.637 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -12.981 9.810 -3.362 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -15.170 8.431 -1.759 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -15.380 9.751 -2.892 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -14.544 8.319 -4.732 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.304 6.999 -3.604 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -16.373 6.763 -4.802 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.683 6.993 -3.148 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -16.915 8.271 -4.241 1.00 4.07 H new ATOM 387 N SER A 28 -12.628 4.902 -0.830 1.00 0.83 N ATOM 388 CA SER A 28 -11.998 3.594 -0.789 1.00 1.35 C ATOM 389 C SER A 28 -12.791 2.592 -1.622 1.00 1.17 C ATOM 390 O SER A 28 -13.666 1.892 -1.107 1.00 1.46 O ATOM 391 CB SER A 28 -11.882 3.108 0.661 1.00 2.09 C ATOM 392 OG SER A 28 -13.155 3.048 1.286 1.00 2.46 O ATOM 0 H SER A 28 -13.647 4.881 -0.798 1.00 0.83 H new ATOM 0 HA SER A 28 -10.997 3.677 -1.212 1.00 1.35 H new ATOM 0 HB2 SER A 28 -11.418 2.122 0.681 1.00 2.09 H new ATOM 0 HB3 SER A 28 -11.230 3.779 1.221 1.00 2.09 H new ATOM 0 HG SER A 28 -13.801 2.639 0.673 1.00 2.46 H new ATOM 398 N THR A 29 -12.506 2.544 -2.912 1.00 1.02 N ATOM 399 CA THR A 29 -13.165 1.600 -3.794 1.00 1.07 C ATOM 400 C THR A 29 -12.194 0.504 -4.211 1.00 1.17 C ATOM 401 O THR A 29 -12.505 -0.685 -4.141 1.00 2.00 O ATOM 402 CB THR A 29 -13.728 2.305 -5.042 1.00 1.24 C ATOM 403 OG1 THR A 29 -14.542 3.418 -4.642 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.552 1.346 -5.883 1.00 1.64 C ATOM 0 H THR A 29 -11.823 3.148 -3.370 1.00 1.02 H new ATOM 0 HA THR A 29 -13.997 1.155 -3.249 1.00 1.07 H new ATOM 0 HB THR A 29 -12.891 2.658 -5.644 1.00 1.24 H new ATOM 0 HG1 THR A 29 -14.898 3.866 -5.438 1.00 1.64 H new ATOM 0 HG21 THR A 29 -14.938 1.869 -6.758 1.00 1.64 H new ATOM 0 HG22 THR A 29 -13.926 0.514 -6.204 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.385 0.966 -5.291 1.00 1.64 H new ATOM 412 N GLY A 30 -11.013 0.925 -4.623 1.00 0.96 N ATOM 413 CA GLY A 30 -9.974 -0.005 -5.003 1.00 1.02 C ATOM 414 C GLY A 30 -9.932 -0.258 -6.496 1.00 1.05 C ATOM 415 O GLY A 30 -10.873 0.075 -7.223 1.00 1.39 O ATOM 0 H GLY A 30 -10.752 1.908 -4.702 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.009 0.382 -4.677 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.130 -0.950 -4.483 1.00 1.02 H new ATOM 419 N GLU A 31 -8.829 -0.823 -6.956 1.00 1.00 N ATOM 420 CA GLU A 31 -8.683 -1.222 -8.345 1.00 1.18 C ATOM 421 C GLU A 31 -8.880 -2.726 -8.476 1.00 0.94 C ATOM 422 O GLU A 31 -9.601 -3.198 -9.355 1.00 1.04 O ATOM 423 CB GLU A 31 -7.310 -0.812 -8.878 1.00 1.63 C ATOM 424 CG GLU A 31 -7.158 0.689 -9.062 1.00 2.14 C ATOM 425 CD GLU A 31 -8.000 1.223 -10.202 1.00 2.60 C ATOM 426 OE1 GLU A 31 -7.563 1.132 -11.371 1.00 2.90 O ATOM 427 OE2 GLU A 31 -9.105 1.739 -9.937 1.00 3.06 O ATOM 0 H GLU A 31 -8.011 -1.018 -6.378 1.00 1.00 H new ATOM 0 HA GLU A 31 -9.444 -0.715 -8.939 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -6.541 -1.166 -8.191 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -7.137 -1.307 -9.833 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -7.440 1.195 -8.139 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -6.110 0.925 -9.248 1.00 2.14 H new ATOM 434 N GLU A 32 -8.254 -3.472 -7.574 1.00 0.85 N ATOM 435 CA GLU A 32 -8.357 -4.913 -7.570 1.00 1.01 C ATOM 436 C GLU A 32 -9.515 -5.344 -6.682 1.00 1.08 C ATOM 437 O GLU A 32 -10.284 -6.241 -7.031 1.00 1.36 O ATOM 438 CB GLU A 32 -7.038 -5.526 -7.103 1.00 1.26 C ATOM 439 CG GLU A 32 -7.100 -7.022 -6.905 1.00 1.66 C ATOM 440 CD GLU A 32 -5.740 -7.625 -6.630 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.094 -8.108 -7.579 1.00 2.09 O ATOM 442 OE2 GLU A 32 -5.311 -7.623 -5.460 1.00 2.44 O ATOM 0 H GLU A 32 -7.666 -3.092 -6.832 1.00 0.85 H new ATOM 0 HA GLU A 32 -8.555 -5.270 -8.581 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.262 -5.297 -7.834 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -6.741 -5.056 -6.165 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.769 -7.248 -6.075 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -7.527 -7.486 -7.794 1.00 1.66 H new ATOM 603 N GLN A 44 -12.543 -0.661 5.234 1.00 0.64 N ATOM 604 CA GLN A 44 -11.345 -0.349 4.462 1.00 0.45 C ATOM 605 C GLN A 44 -10.881 1.074 4.720 1.00 0.42 C ATOM 606 O GLN A 44 -11.673 2.016 4.706 1.00 0.57 O ATOM 607 CB GLN A 44 -11.584 -0.519 2.964 1.00 0.42 C ATOM 608 CG GLN A 44 -12.353 -1.774 2.599 1.00 0.57 C ATOM 609 CD GLN A 44 -12.496 -1.960 1.102 1.00 0.64 C ATOM 610 OE1 GLN A 44 -13.438 -1.457 0.489 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.581 -2.708 0.505 1.00 1.18 N ATOM 0 HA GLN A 44 -10.575 -1.050 4.785 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.129 0.349 2.593 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.622 -0.534 2.453 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.846 -2.641 3.022 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.344 -1.732 3.052 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -10.815 -3.107 1.048 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.642 -2.885 -0.498 1.00 1.18 H new ATOM 620 N VAL A 45 -9.596 1.215 4.947 1.00 0.33 N ATOM 621 CA VAL A 45 -9.015 2.499 5.253 1.00 0.36 C ATOM 622 C VAL A 45 -8.247 3.023 4.057 1.00 0.27 C ATOM 623 O VAL A 45 -7.429 2.319 3.468 1.00 0.33 O ATOM 624 CB VAL A 45 -8.104 2.438 6.498 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.916 1.545 6.266 1.00 1.19 C ATOM 626 CG2 VAL A 45 -7.674 3.830 6.938 1.00 1.37 C ATOM 0 H VAL A 45 -8.927 0.445 4.925 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.830 3.185 5.482 1.00 0.36 H new ATOM 0 HB VAL A 45 -8.687 2.002 7.310 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.296 1.525 7.162 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.259 0.535 6.039 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -6.332 1.927 5.429 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -7.034 3.752 7.817 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -7.125 4.313 6.130 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.555 4.423 7.183 1.00 1.37 H new ATOM 636 N ALA A 46 -8.558 4.238 3.679 1.00 0.24 N ATOM 637 CA ALA A 46 -7.889 4.889 2.574 1.00 0.21 C ATOM 638 C ALA A 46 -6.970 5.981 3.083 1.00 0.20 C ATOM 639 O ALA A 46 -7.406 6.898 3.780 1.00 0.30 O ATOM 640 CB ALA A 46 -8.907 5.466 1.611 1.00 0.29 C ATOM 0 H ALA A 46 -9.279 4.804 4.125 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.289 4.148 2.046 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.390 5.953 0.784 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.537 4.665 1.224 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.527 6.196 2.131 1.00 0.29 H new ATOM 646 N ILE A 47 -5.699 5.864 2.753 1.00 0.21 N ATOM 647 CA ILE A 47 -4.725 6.883 3.093 1.00 0.21 C ATOM 648 C ILE A 47 -3.910 7.242 1.864 1.00 0.20 C ATOM 649 O ILE A 47 -3.882 6.489 0.888 1.00 0.21 O ATOM 650 CB ILE A 47 -3.783 6.438 4.234 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.154 5.075 3.932 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.530 6.407 5.560 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.200 4.604 5.010 1.00 0.23 C ATOM 0 H ILE A 47 -5.314 5.067 2.246 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.274 7.755 3.447 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.976 7.167 4.310 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.946 4.336 3.809 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.620 5.131 2.983 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.851 6.091 6.353 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.913 7.402 5.785 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.361 5.705 5.493 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.790 3.633 4.734 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.388 5.324 5.117 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.734 4.516 5.956 1.00 0.23 H new ATOM 665 N GLN A 48 -3.270 8.401 1.904 1.00 0.24 N ATOM 666 CA GLN A 48 -2.494 8.878 0.766 1.00 0.25 C ATOM 667 C GLN A 48 -1.167 8.162 0.689 1.00 0.22 C ATOM 668 O GLN A 48 -0.473 7.983 1.691 1.00 0.36 O ATOM 669 CB GLN A 48 -2.279 10.388 0.845 1.00 0.36 C ATOM 670 CG GLN A 48 -2.875 11.157 -0.324 1.00 0.47 C ATOM 671 CD GLN A 48 -2.135 10.927 -1.628 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.931 10.682 -1.638 1.00 2.38 O ATOM 673 NE2 GLN A 48 -2.851 11.015 -2.737 1.00 1.78 N ATOM 0 H GLN A 48 -3.272 9.028 2.709 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.059 8.661 -0.140 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -2.716 10.759 1.772 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.209 10.591 0.893 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.918 10.865 -0.449 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.867 12.222 -0.092 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -3.849 11.220 -2.685 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -2.405 10.878 -3.644 1.00 1.78 H new ATOM 682 N CYS A 49 -0.831 7.770 -0.516 1.00 0.26 N ATOM 683 CA CYS A 49 0.329 6.955 -0.766 1.00 0.25 C ATOM 684 C CYS A 49 1.152 7.549 -1.896 1.00 0.28 C ATOM 685 O CYS A 49 0.625 8.254 -2.758 1.00 0.32 O ATOM 686 CB CYS A 49 -0.114 5.537 -1.117 1.00 0.25 C ATOM 687 SG CYS A 49 -1.122 4.728 0.168 1.00 1.15 S ATOM 0 H CYS A 49 -1.359 8.010 -1.355 1.00 0.26 H new ATOM 0 HA CYS A 49 0.949 6.923 0.130 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.685 5.566 -2.045 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.770 4.928 -1.305 1.00 0.25 H new ATOM 692 N THR A 50 2.441 7.269 -1.887 1.00 0.28 N ATOM 693 CA THR A 50 3.341 7.805 -2.889 1.00 0.36 C ATOM 694 C THR A 50 4.573 6.919 -3.011 1.00 0.38 C ATOM 695 O THR A 50 5.206 6.567 -2.012 1.00 0.45 O ATOM 696 CB THR A 50 3.746 9.263 -2.564 1.00 0.46 C ATOM 697 OG1 THR A 50 4.641 9.773 -3.561 1.00 0.60 O ATOM 698 CG2 THR A 50 4.398 9.362 -1.196 1.00 0.54 C ATOM 0 H THR A 50 2.890 6.671 -1.193 1.00 0.28 H new ATOM 0 HA THR A 50 2.817 7.816 -3.845 1.00 0.36 H new ATOM 0 HB THR A 50 2.835 9.862 -2.559 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.885 10.696 -3.340 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.671 10.398 -0.997 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.699 9.018 -0.434 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.293 8.740 -1.174 1.00 0.54 H new ATOM 706 N GLN A 51 4.888 6.520 -4.229 1.00 0.39 N ATOM 707 CA GLN A 51 6.004 5.632 -4.457 1.00 0.42 C ATOM 708 C GLN A 51 7.021 6.281 -5.383 1.00 0.42 C ATOM 709 O GLN A 51 6.756 6.493 -6.567 1.00 0.58 O ATOM 710 CB GLN A 51 5.507 4.300 -5.028 1.00 0.57 C ATOM 711 CG GLN A 51 6.331 3.108 -4.571 1.00 0.66 C ATOM 712 CD GLN A 51 7.692 3.034 -5.233 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.850 3.393 -6.398 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.688 2.590 -4.479 1.00 0.74 N ATOM 0 H GLN A 51 4.386 6.798 -5.072 1.00 0.39 H new ATOM 0 HA GLN A 51 6.498 5.433 -3.506 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.469 4.150 -4.732 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.525 4.350 -6.117 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.462 3.158 -3.490 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.781 2.191 -4.783 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.510 2.303 -3.517 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.632 2.536 -4.861 1.00 0.74 H new ATOM 723 N ILE A 52 8.174 6.618 -4.822 1.00 0.43 N ATOM 724 CA ILE A 52 9.279 7.160 -5.596 1.00 0.50 C ATOM 725 C ILE A 52 9.801 6.104 -6.565 1.00 0.56 C ATOM 726 O ILE A 52 10.098 4.986 -6.153 1.00 0.65 O ATOM 727 CB ILE A 52 10.422 7.633 -4.671 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.954 8.814 -3.822 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.661 8.008 -5.473 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.038 9.395 -2.941 1.00 0.95 C ATOM 0 H ILE A 52 8.368 6.524 -3.825 1.00 0.43 H new ATOM 0 HA ILE A 52 8.914 8.020 -6.158 1.00 0.50 H new ATOM 0 HB ILE A 52 10.691 6.808 -4.012 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.575 9.596 -4.480 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.122 8.493 -3.196 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.448 8.337 -4.794 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.006 7.141 -6.036 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.417 8.815 -6.164 1.00 0.85 H new ATOM 0 HD11 ILE A 52 10.633 10.229 -2.368 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.402 8.628 -2.258 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.862 9.748 -3.562 1.00 0.95 H new ATOM 742 N PRO A 53 9.920 6.484 -7.856 1.00 0.66 N ATOM 743 CA PRO A 53 10.272 5.593 -8.971 1.00 0.80 C ATOM 744 C PRO A 53 11.245 4.487 -8.582 1.00 0.82 C ATOM 745 O PRO A 53 12.459 4.694 -8.524 1.00 0.87 O ATOM 746 CB PRO A 53 10.926 6.552 -9.958 1.00 0.95 C ATOM 747 CG PRO A 53 10.239 7.860 -9.741 1.00 0.85 C ATOM 748 CD PRO A 53 9.709 7.858 -8.327 1.00 0.70 C ATOM 0 HA PRO A 53 9.403 5.058 -9.355 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.998 6.634 -9.777 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.802 6.207 -10.984 1.00 0.95 H new ATOM 0 HG2 PRO A 53 10.932 8.688 -9.891 1.00 0.85 H new ATOM 0 HG3 PRO A 53 9.427 7.991 -10.456 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.240 8.577 -7.703 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.654 8.129 -8.299 1.00 0.70 H new ATOM 756 N LEU A 54 10.685 3.311 -8.346 1.00 0.90 N ATOM 757 CA LEU A 54 11.425 2.187 -7.811 1.00 0.96 C ATOM 758 C LEU A 54 12.413 1.613 -8.815 1.00 0.90 C ATOM 759 O LEU A 54 12.106 1.468 -10.002 1.00 1.03 O ATOM 760 CB LEU A 54 10.443 1.102 -7.353 1.00 1.27 C ATOM 761 CG LEU A 54 9.528 0.533 -8.445 1.00 1.07 C ATOM 762 CD1 LEU A 54 10.100 -0.754 -9.021 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.129 0.295 -7.905 1.00 1.08 C ATOM 0 H LEU A 54 9.700 3.112 -8.522 1.00 0.90 H new ATOM 0 HA LEU A 54 12.008 2.546 -6.962 1.00 0.96 H new ATOM 0 HB2 LEU A 54 11.013 0.281 -6.918 1.00 1.27 H new ATOM 0 HB3 LEU A 54 9.819 1.513 -6.559 1.00 1.27 H new ATOM 0 HG LEU A 54 9.469 1.269 -9.247 1.00 1.07 H new ATOM 0 HD11 LEU A 54 9.432 -1.136 -9.793 1.00 1.67 H new ATOM 0 HD12 LEU A 54 11.079 -0.554 -9.456 1.00 1.67 H new ATOM 0 HD13 LEU A 54 10.199 -1.495 -8.228 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.497 -0.109 -8.696 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.174 -0.415 -7.079 1.00 1.08 H new ATOM 0 HD23 LEU A 54 7.710 1.237 -7.551 1.00 1.08 H new ATOM 775 N LEU A 55 13.602 1.312 -8.335 1.00 0.88 N ATOM 776 CA LEU A 55 14.560 0.543 -9.100 1.00 0.96 C ATOM 777 C LEU A 55 14.429 -0.920 -8.706 1.00 0.93 C ATOM 778 O LEU A 55 14.581 -1.268 -7.535 1.00 0.85 O ATOM 779 CB LEU A 55 15.982 1.046 -8.849 1.00 1.08 C ATOM 780 CG LEU A 55 16.262 2.471 -9.333 1.00 1.26 C ATOM 781 CD1 LEU A 55 17.704 2.856 -9.053 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.960 2.601 -10.818 1.00 1.58 C ATOM 0 H LEU A 55 13.929 1.591 -7.410 1.00 0.88 H new ATOM 0 HA LEU A 55 14.357 0.657 -10.165 1.00 0.96 H new ATOM 0 HB2 LEU A 55 16.185 0.996 -7.779 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.682 0.369 -9.338 1.00 1.08 H new ATOM 0 HG LEU A 55 15.609 3.151 -8.786 1.00 1.26 H new ATOM 0 HD11 LEU A 55 17.884 3.872 -9.404 1.00 1.52 H new ATOM 0 HD12 LEU A 55 17.893 2.804 -7.981 1.00 1.52 H new ATOM 0 HD13 LEU A 55 18.372 2.169 -9.573 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.165 3.621 -11.143 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.587 1.908 -11.379 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.911 2.367 -10.998 1.00 1.58 H new ATOM 794 N ILE A 56 14.121 -1.767 -9.679 1.00 1.10 N ATOM 795 CA ILE A 56 13.825 -3.167 -9.406 1.00 1.16 C ATOM 796 C ILE A 56 14.993 -3.847 -8.701 1.00 1.07 C ATOM 797 O ILE A 56 16.152 -3.704 -9.096 1.00 1.14 O ATOM 798 CB ILE A 56 13.469 -3.936 -10.692 1.00 1.45 C ATOM 799 CG1 ILE A 56 12.373 -3.187 -11.458 1.00 1.68 C ATOM 800 CG2 ILE A 56 13.014 -5.355 -10.361 1.00 1.58 C ATOM 801 CD1 ILE A 56 11.990 -3.827 -12.772 1.00 2.11 C ATOM 0 H ILE A 56 14.070 -1.509 -10.665 1.00 1.10 H new ATOM 0 HA ILE A 56 12.957 -3.185 -8.747 1.00 1.16 H new ATOM 0 HB ILE A 56 14.358 -4.002 -11.319 1.00 1.45 H new ATOM 0 HG12 ILE A 56 11.486 -3.119 -10.828 1.00 1.68 H new ATOM 0 HG13 ILE A 56 12.709 -2.168 -11.647 1.00 1.68 H new ATOM 0 HG21 ILE A 56 12.767 -5.882 -11.283 1.00 1.58 H new ATOM 0 HG22 ILE A 56 13.816 -5.883 -9.845 1.00 1.58 H new ATOM 0 HG23 ILE A 56 12.134 -5.314 -9.719 1.00 1.58 H new ATOM 0 HD11 ILE A 56 11.209 -3.236 -13.251 1.00 2.11 H new ATOM 0 HD12 ILE A 56 12.863 -3.871 -13.423 1.00 2.11 H new ATOM 0 HD13 ILE A 56 11.621 -4.837 -12.591 1.00 2.11 H new ATOM 813 N GLY A 57 14.666 -4.573 -7.653 1.00 1.03 N ATOM 814 CA GLY A 57 15.672 -5.174 -6.806 1.00 1.00 C ATOM 815 C GLY A 57 15.767 -4.466 -5.469 1.00 0.86 C ATOM 816 O GLY A 57 16.177 -5.054 -4.467 1.00 0.90 O ATOM 0 H GLY A 57 13.705 -4.761 -7.367 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.434 -6.226 -6.646 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.639 -5.139 -7.307 1.00 1.00 H new ATOM 820 N ILE A 58 15.367 -3.201 -5.456 1.00 0.77 N ATOM 821 CA ILE A 58 15.412 -2.392 -4.248 1.00 0.66 C ATOM 822 C ILE A 58 14.140 -2.563 -3.425 1.00 0.61 C ATOM 823 O ILE A 58 13.083 -2.925 -3.943 1.00 0.69 O ATOM 824 CB ILE A 58 15.661 -0.895 -4.584 1.00 0.67 C ATOM 825 CG1 ILE A 58 17.077 -0.490 -4.162 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.626 0.023 -3.938 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.308 -0.542 -2.664 1.00 0.71 C ATOM 0 H ILE A 58 15.006 -2.712 -6.275 1.00 0.77 H new ATOM 0 HA ILE A 58 16.250 -2.742 -3.646 1.00 0.66 H new ATOM 0 HB ILE A 58 15.559 -0.780 -5.663 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.794 -1.147 -4.654 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.276 0.521 -4.516 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.843 1.058 -4.202 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.631 -0.242 -4.295 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.665 -0.091 -2.855 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.332 -0.242 -2.443 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.616 0.136 -2.165 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.142 -1.558 -2.305 1.00 0.71 H new ATOM 839 N ALA A 59 14.280 -2.315 -2.138 1.00 0.57 N ATOM 840 CA ALA A 59 13.196 -2.445 -1.187 1.00 0.59 C ATOM 841 C ALA A 59 12.386 -1.158 -1.079 1.00 0.49 C ATOM 842 O ALA A 59 12.933 -0.055 -1.132 1.00 0.50 O ATOM 843 CB ALA A 59 13.783 -2.789 0.161 1.00 0.68 C ATOM 0 H ALA A 59 15.160 -2.014 -1.719 1.00 0.57 H new ATOM 0 HA ALA A 59 12.522 -3.231 -1.528 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.981 -2.891 0.892 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.331 -3.728 0.090 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.461 -1.996 0.476 1.00 0.68 H new ATOM 849 N ILE A 60 11.081 -1.329 -0.897 1.00 0.46 N ATOM 850 CA ILE A 60 10.139 -0.222 -0.714 1.00 0.42 C ATOM 851 C ILE A 60 10.575 0.683 0.440 1.00 0.40 C ATOM 852 O ILE A 60 10.422 1.903 0.392 1.00 0.39 O ATOM 853 CB ILE A 60 8.729 -0.782 -0.405 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.700 0.341 -0.239 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.767 -1.659 0.842 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.348 1.038 -1.533 1.00 0.69 C ATOM 0 H ILE A 60 10.639 -2.248 -0.872 1.00 0.46 H new ATOM 0 HA ILE A 60 10.120 0.362 -1.634 1.00 0.42 H new ATOM 0 HB ILE A 60 8.420 -1.390 -1.255 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.792 -0.072 0.200 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.088 1.076 0.466 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.768 -2.045 1.046 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.452 -2.492 0.681 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.108 -1.068 1.692 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.615 1.820 -1.337 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.246 1.482 -1.963 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.929 0.315 -2.233 1.00 0.69 H new ATOM 868 N GLU A 61 11.148 0.059 1.456 1.00 0.49 N ATOM 869 CA GLU A 61 11.509 0.726 2.694 1.00 0.60 C ATOM 870 C GLU A 61 12.779 1.559 2.537 1.00 0.58 C ATOM 871 O GLU A 61 13.064 2.430 3.359 1.00 0.71 O ATOM 872 CB GLU A 61 11.687 -0.324 3.795 1.00 0.83 C ATOM 873 CG GLU A 61 12.445 -1.560 3.332 1.00 0.73 C ATOM 874 CD GLU A 61 12.954 -2.414 4.472 1.00 1.47 C ATOM 875 OE1 GLU A 61 12.415 -3.520 4.676 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.903 -1.989 5.163 1.00 1.82 O ATOM 0 H GLU A 61 11.377 -0.935 1.443 1.00 0.49 H new ATOM 0 HA GLU A 61 10.707 1.413 2.965 1.00 0.60 H new ATOM 0 HB2 GLU A 61 12.218 0.126 4.634 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.706 -0.625 4.163 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.792 -2.162 2.700 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.289 -1.250 2.715 1.00 0.73 H new ATOM 883 N ASP A 62 13.532 1.296 1.479 1.00 0.54 N ATOM 884 CA ASP A 62 14.775 2.016 1.227 1.00 0.60 C ATOM 885 C ASP A 62 14.610 2.984 0.063 1.00 0.51 C ATOM 886 O ASP A 62 15.331 3.976 -0.046 1.00 0.65 O ATOM 887 CB ASP A 62 15.913 1.039 0.914 1.00 0.75 C ATOM 888 CG ASP A 62 16.235 0.111 2.069 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.081 0.473 2.914 1.00 1.22 O ATOM 890 OD2 ASP A 62 15.656 -0.990 2.131 1.00 1.98 O ATOM 0 H ASP A 62 13.305 0.589 0.780 1.00 0.54 H new ATOM 0 HA ASP A 62 15.022 2.577 2.128 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.643 0.444 0.042 1.00 0.75 H new ATOM 0 HB3 ASP A 62 16.807 1.604 0.650 1.00 0.75 H new ATOM 895 N GLU A 63 13.656 2.685 -0.806 1.00 0.40 N ATOM 896 CA GLU A 63 13.438 3.465 -2.016 1.00 0.40 C ATOM 897 C GLU A 63 12.759 4.798 -1.697 1.00 0.34 C ATOM 898 O GLU A 63 13.079 5.831 -2.287 1.00 0.42 O ATOM 899 CB GLU A 63 12.589 2.652 -2.999 1.00 0.43 C ATOM 900 CG GLU A 63 12.459 3.275 -4.378 1.00 0.64 C ATOM 901 CD GLU A 63 13.788 3.424 -5.094 1.00 1.40 C ATOM 902 OE1 GLU A 63 14.484 4.434 -4.867 1.00 2.09 O ATOM 903 OE2 GLU A 63 14.149 2.528 -5.886 1.00 1.68 O ATOM 0 H GLU A 63 13.015 1.900 -0.694 1.00 0.40 H new ATOM 0 HA GLU A 63 14.404 3.687 -2.469 1.00 0.40 H new ATOM 0 HB2 GLU A 63 13.025 1.658 -3.102 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.592 2.520 -2.577 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.793 2.662 -4.985 1.00 0.64 H new ATOM 0 HG3 GLU A 63 11.992 4.256 -4.284 1.00 0.64 H new ATOM 910 N CYS A 64 11.832 4.781 -0.752 1.00 0.29 N ATOM 911 CA CYS A 64 11.083 5.981 -0.412 1.00 0.32 C ATOM 912 C CYS A 64 11.427 6.435 1.004 1.00 0.40 C ATOM 913 O CYS A 64 12.143 5.739 1.727 1.00 0.60 O ATOM 914 CB CYS A 64 9.585 5.708 -0.522 1.00 0.33 C ATOM 915 SG CYS A 64 8.888 4.855 0.930 1.00 0.47 S ATOM 0 H CYS A 64 11.581 3.955 -0.209 1.00 0.29 H new ATOM 0 HA CYS A 64 11.353 6.773 -1.110 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.062 6.654 -0.663 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.399 5.105 -1.411 1.00 0.33 H new ATOM 920 N LYS A 65 10.923 7.598 1.397 1.00 0.43 N ATOM 921 CA LYS A 65 11.150 8.110 2.743 1.00 0.51 C ATOM 922 C LYS A 65 9.829 8.277 3.486 1.00 0.45 C ATOM 923 O LYS A 65 9.571 9.309 4.104 1.00 0.60 O ATOM 924 CB LYS A 65 11.903 9.442 2.699 1.00 0.69 C ATOM 925 CG LYS A 65 13.283 9.343 2.072 1.00 1.41 C ATOM 926 CD LYS A 65 14.192 8.437 2.883 1.00 1.33 C ATOM 927 CE LYS A 65 15.531 8.222 2.196 1.00 1.77 C ATOM 928 NZ LYS A 65 16.287 9.491 2.044 1.00 2.32 N ATOM 0 H LYS A 65 10.355 8.204 0.804 1.00 0.43 H new ATOM 0 HA LYS A 65 11.762 7.385 3.279 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.311 10.166 2.139 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.002 9.827 3.714 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.197 8.960 1.055 1.00 1.41 H new ATOM 0 HG3 LYS A 65 13.725 10.337 2.001 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.355 8.873 3.869 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.703 7.475 3.037 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.125 7.513 2.773 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.368 7.777 1.214 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 17.240 9.286 1.681 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.789 10.114 1.377 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.363 9.963 2.968 1.00 2.32 H new ATOM 942 N ASN A 66 8.986 7.259 3.400 1.00 0.35 N ATOM 943 CA ASN A 66 7.725 7.237 4.130 1.00 0.30 C ATOM 944 C ASN A 66 7.534 5.870 4.762 1.00 0.29 C ATOM 945 O ASN A 66 8.423 5.021 4.690 1.00 0.41 O ATOM 946 CB ASN A 66 6.538 7.560 3.218 1.00 0.36 C ATOM 947 CG ASN A 66 6.467 9.022 2.823 1.00 0.59 C ATOM 948 OD1 ASN A 66 5.850 9.836 3.510 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.081 9.367 1.706 1.00 1.02 N ATOM 0 H ASN A 66 9.153 6.431 2.828 1.00 0.35 H new ATOM 0 HA ASN A 66 7.765 8.004 4.903 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.604 6.950 2.317 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.613 7.282 3.724 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.053 10.335 1.387 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.583 8.665 1.162 1.00 1.02 H new ATOM 956 N THR A 67 6.377 5.648 5.363 1.00 0.28 N ATOM 957 CA THR A 67 6.129 4.417 6.081 1.00 0.27 C ATOM 958 C THR A 67 5.755 3.278 5.139 1.00 0.25 C ATOM 959 O THR A 67 4.836 3.394 4.322 1.00 0.26 O ATOM 960 CB THR A 67 5.021 4.582 7.135 1.00 0.29 C ATOM 961 OG1 THR A 67 5.268 5.758 7.920 1.00 0.34 O ATOM 962 CG2 THR A 67 4.975 3.360 8.040 1.00 0.31 C ATOM 0 H THR A 67 5.598 6.306 5.366 1.00 0.28 H new ATOM 0 HA THR A 67 7.063 4.169 6.585 1.00 0.27 H new ATOM 0 HB THR A 67 4.062 4.683 6.627 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.559 5.860 8.589 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.187 3.487 8.783 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.770 2.472 7.442 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.934 3.245 8.545 1.00 0.31 H new ATOM 970 N PRO A 68 6.502 2.177 5.241 1.00 0.28 N ATOM 971 CA PRO A 68 6.189 0.930 4.554 1.00 0.30 C ATOM 972 C PRO A 68 4.861 0.362 5.033 1.00 0.25 C ATOM 973 O PRO A 68 4.721 -0.001 6.204 1.00 0.28 O ATOM 974 CB PRO A 68 7.316 -0.027 4.953 1.00 0.38 C ATOM 975 CG PRO A 68 8.330 0.774 5.703 1.00 0.45 C ATOM 976 CD PRO A 68 7.716 2.093 6.053 1.00 0.38 C ATOM 0 HA PRO A 68 6.109 1.077 3.477 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.931 -0.838 5.572 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.763 -0.484 4.070 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.639 0.247 6.606 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.224 0.919 5.097 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.483 2.150 7.116 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.396 2.915 5.831 1.00 0.38 H new ATOM 984 N THR A 69 3.883 0.289 4.152 1.00 0.23 N ATOM 985 CA THR A 69 2.585 -0.223 4.541 1.00 0.21 C ATOM 986 C THR A 69 2.130 -1.341 3.610 1.00 0.23 C ATOM 987 O THR A 69 2.401 -1.313 2.409 1.00 0.29 O ATOM 988 CB THR A 69 1.519 0.894 4.563 1.00 0.24 C ATOM 989 OG1 THR A 69 1.403 1.495 3.272 1.00 0.31 O ATOM 990 CG2 THR A 69 1.860 1.974 5.581 1.00 0.30 C ATOM 0 H THR A 69 3.960 0.573 3.175 1.00 0.23 H new ATOM 0 HA THR A 69 2.693 -0.623 5.549 1.00 0.21 H new ATOM 0 HB THR A 69 0.573 0.432 4.846 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.286 1.534 2.849 1.00 0.31 H new ATOM 0 HG21 THR A 69 1.088 2.743 5.568 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.915 1.532 6.576 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.821 2.421 5.329 1.00 0.30 H new ATOM 998 N CYS A 70 1.465 -2.335 4.177 1.00 0.23 N ATOM 999 CA CYS A 70 0.872 -3.407 3.396 1.00 0.27 C ATOM 1000 C CYS A 70 -0.573 -3.071 3.082 1.00 0.22 C ATOM 1001 O CYS A 70 -1.435 -3.121 3.961 1.00 0.27 O ATOM 1002 CB CYS A 70 0.932 -4.735 4.150 1.00 0.38 C ATOM 1003 SG CYS A 70 0.056 -6.099 3.311 1.00 1.26 S ATOM 0 H CYS A 70 1.322 -2.421 5.183 1.00 0.23 H new ATOM 0 HA CYS A 70 1.440 -3.509 2.471 1.00 0.27 H new ATOM 0 HB2 CYS A 70 1.976 -5.017 4.288 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.505 -4.598 5.143 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.829 -2.711 1.841 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.172 -2.378 1.412 1.00 0.19 C ATOM 1010 C CYS A 71 -2.856 -3.610 0.847 1.00 0.21 C ATOM 1011 O CYS A 71 -2.271 -4.359 0.067 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.132 -1.276 0.353 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.220 0.214 0.866 1.00 0.29 S ATOM 0 H CYS A 71 -0.122 -2.641 1.109 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.735 -2.019 2.273 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.676 -1.674 -0.553 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.154 -0.994 0.098 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.093 -3.824 1.264 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.906 -4.896 0.737 1.00 0.24 C ATOM 1020 C GLU A 72 -5.180 -4.638 -0.739 1.00 0.25 C ATOM 1021 O GLU A 72 -5.206 -5.557 -1.555 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.197 -4.992 1.551 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.433 -5.267 0.731 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.667 -5.401 1.588 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.591 -4.580 1.426 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.721 -6.325 2.423 1.00 1.37 O ATOM 0 H GLU A 72 -4.556 -3.259 1.975 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.387 -5.851 0.818 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.086 -5.782 2.294 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.338 -4.059 2.097 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.577 -4.460 0.013 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.290 -6.183 0.157 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.349 -3.369 -1.072 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.490 -2.935 -2.451 1.00 0.24 C ATOM 1035 C ASP A 73 -4.986 -1.508 -2.557 1.00 0.22 C ATOM 1036 O ASP A 73 -4.791 -0.853 -1.537 1.00 0.19 O ATOM 1037 CB ASP A 73 -6.942 -2.995 -2.915 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.049 -2.883 -4.420 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.136 -2.507 -4.913 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.061 -3.156 -5.116 1.00 1.03 O ATOM 0 H ASP A 73 -5.392 -2.610 -0.392 1.00 0.21 H new ATOM 0 HA ASP A 73 -4.911 -3.603 -3.089 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.392 -3.932 -2.586 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.508 -2.189 -2.448 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.755 -1.028 -3.766 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.369 0.362 -3.957 1.00 0.30 C ATOM 1047 C VAL A 74 -5.137 0.949 -5.132 1.00 0.43 C ATOM 1048 O VAL A 74 -5.240 0.327 -6.190 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.852 0.542 -4.200 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.427 1.953 -3.838 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.034 -0.475 -3.415 1.00 1.07 C ATOM 0 H VAL A 74 -4.827 -1.573 -4.625 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.613 0.886 -3.033 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.662 0.372 -5.260 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.357 2.067 -4.013 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.974 2.667 -4.454 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.644 2.140 -2.786 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -0.973 -0.318 -3.611 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.228 -0.354 -2.349 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.314 -1.483 -3.722 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.680 2.136 -4.937 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.478 2.797 -5.954 1.00 0.46 C ATOM 1063 C GLU A 75 -5.652 3.893 -6.625 1.00 0.50 C ATOM 1064 O GLU A 75 -4.598 4.282 -6.105 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.748 3.383 -5.326 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.901 3.534 -6.304 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.115 4.193 -5.684 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.423 5.340 -6.064 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.768 3.574 -4.823 1.00 1.85 O ATOM 0 H GLU A 75 -5.581 2.668 -4.072 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.774 2.070 -6.711 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.064 2.743 -4.502 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.515 4.359 -4.900 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.571 4.123 -7.159 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.181 2.551 -6.683 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.122 4.376 -7.778 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.404 5.392 -8.549 1.00 0.65 C ATOM 1078 C ASP A 76 -4.069 4.841 -9.027 1.00 0.67 C ATOM 1079 O ASP A 76 -3.898 3.624 -9.129 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.185 6.667 -7.719 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.341 7.639 -7.815 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -7.193 7.642 -6.903 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.416 8.393 -8.806 1.00 1.15 O ATOM 0 H ASP A 76 -7.002 4.077 -8.199 1.00 0.61 H new ATOM 0 HA ASP A 76 -6.013 5.653 -9.415 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -5.033 6.393 -6.675 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.273 7.161 -8.055 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.115 5.721 -9.306 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.757 5.295 -9.645 1.00 0.77 C ATOM 1090 C ASP A 77 -1.002 4.840 -8.398 1.00 0.67 C ATOM 1091 O ASP A 77 0.228 4.832 -8.372 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.982 6.422 -10.335 1.00 0.89 C ATOM 1093 CG ASP A 77 -1.207 6.456 -11.830 1.00 1.36 C ATOM 1094 OD1 ASP A 77 -0.575 5.649 -12.546 1.00 1.59 O ATOM 1095 OD2 ASP A 77 -2.006 7.291 -12.301 1.00 2.12 O ATOM 0 H ASP A 77 -3.253 6.732 -9.305 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.840 4.455 -10.334 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.280 7.378 -9.905 1.00 0.89 H new ATOM 0 HB3 ASP A 77 0.083 6.301 -10.135 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.744 4.447 -7.373 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.136 4.051 -6.125 1.00 0.44 C ATOM 1102 C GLY A 78 -1.098 5.190 -5.134 1.00 0.33 C ATOM 1103 O GLY A 78 -0.285 5.200 -4.215 1.00 0.35 O ATOM 0 H GLY A 78 -2.763 4.396 -7.387 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.692 3.216 -5.698 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.122 3.697 -6.311 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.984 6.161 -5.329 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.020 7.347 -4.481 1.00 0.22 C ATOM 1109 C LEU A 79 -2.945 7.145 -3.289 1.00 0.19 C ATOM 1110 O LEU A 79 -2.865 7.870 -2.303 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.483 8.564 -5.283 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.632 8.903 -6.508 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.186 10.129 -7.215 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.182 9.124 -6.109 1.00 0.94 C ATOM 0 H LEU A 79 -2.687 6.150 -6.068 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.009 7.518 -4.112 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.509 8.394 -5.610 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.499 9.430 -4.621 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.670 8.060 -7.198 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.569 10.357 -8.084 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.209 9.932 -7.537 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.178 10.978 -6.531 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.407 9.364 -6.995 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.122 9.949 -5.399 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.210 8.218 -5.647 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.829 6.166 -3.388 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.779 5.888 -2.319 1.00 0.20 C ATOM 1128 C VAL A 80 -4.782 4.401 -2.008 1.00 0.20 C ATOM 1129 O VAL A 80 -5.241 3.595 -2.811 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.211 6.334 -2.695 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.185 6.018 -1.571 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.245 7.817 -3.026 1.00 0.33 C ATOM 0 H VAL A 80 -3.910 5.550 -4.197 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.466 6.455 -1.442 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.516 5.778 -3.582 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.187 6.340 -1.856 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.189 4.944 -1.384 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.879 6.543 -0.666 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.262 8.108 -3.288 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -5.915 8.391 -2.160 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.583 8.017 -3.868 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.263 4.038 -0.853 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.169 2.639 -0.504 1.00 0.21 C ATOM 1144 C GLY A 81 -5.317 2.185 0.369 1.00 0.20 C ATOM 1145 O GLY A 81 -5.812 2.946 1.201 1.00 0.26 O ATOM 0 H GLY A 81 -3.905 4.684 -0.150 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.150 2.041 -1.415 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.228 2.459 0.015 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.745 0.949 0.167 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.818 0.361 0.946 1.00 0.17 C ATOM 1151 C ILE A 82 -6.241 -0.550 2.013 1.00 0.17 C ATOM 1152 O ILE A 82 -5.523 -1.503 1.700 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.799 -0.454 0.061 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.804 0.458 -0.647 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.526 -1.504 0.883 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.177 1.366 -1.674 1.00 0.30 C ATOM 0 H ILE A 82 -5.357 0.327 -0.542 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.373 1.179 1.405 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.207 -0.959 -0.702 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.561 -0.158 -1.133 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.317 1.066 0.098 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.207 -2.062 0.240 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.800 -2.188 1.323 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.093 -1.017 1.676 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.949 1.983 -2.134 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.440 2.008 -1.191 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.688 0.765 -2.441 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.544 -0.241 3.270 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.140 -1.081 4.393 1.00 0.21 C ATOM 1170 C ASN A 83 -4.627 -1.239 4.433 1.00 0.22 C ATOM 1171 O ASN A 83 -4.105 -2.353 4.457 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.825 -2.450 4.308 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.288 -2.394 4.696 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.704 -1.539 5.478 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.080 -3.305 4.153 1.00 0.29 N ATOM 0 H ASN A 83 -7.071 0.590 3.538 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.453 -0.594 5.317 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.737 -2.834 3.292 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.307 -3.153 4.960 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.075 -3.315 4.378 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.696 -3.997 3.509 1.00 0.29 H new ATOM 1182 N CYS A 84 -3.931 -0.112 4.434 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.476 -0.108 4.407 1.00 0.23 C ATOM 1184 C CYS A 84 -1.906 -0.140 5.817 1.00 0.25 C ATOM 1185 O CYS A 84 -1.767 0.893 6.471 1.00 0.33 O ATOM 1186 CB CYS A 84 -1.969 1.125 3.662 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.579 1.255 1.955 1.00 0.81 S ATOM 0 H CYS A 84 -4.353 0.816 4.453 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.141 -1.004 3.884 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.266 2.018 4.213 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.879 1.107 3.648 1.00 0.26 H new ATOM 1192 N THR A 85 -1.584 -1.335 6.278 1.00 0.25 N ATOM 1193 CA THR A 85 -1.060 -1.527 7.618 1.00 0.28 C ATOM 1194 C THR A 85 0.462 -1.387 7.629 1.00 0.24 C ATOM 1195 O THR A 85 1.153 -2.031 6.838 1.00 0.23 O ATOM 1196 CB THR A 85 -1.457 -2.914 8.152 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.847 -3.151 7.881 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.206 -3.015 9.649 1.00 0.44 C ATOM 0 H THR A 85 -1.678 -2.195 5.738 1.00 0.25 H new ATOM 0 HA THR A 85 -1.487 -0.759 8.263 1.00 0.28 H new ATOM 0 HB THR A 85 -0.847 -3.665 7.650 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.100 -4.035 8.219 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.495 -4.005 10.000 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.147 -2.853 9.852 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.795 -2.259 10.169 1.00 0.44 H new ATOM 1206 N PRO A 86 1.002 -0.527 8.511 1.00 0.26 N ATOM 1207 CA PRO A 86 2.448 -0.311 8.630 1.00 0.28 C ATOM 1208 C PRO A 86 3.172 -1.581 9.055 1.00 0.33 C ATOM 1209 O PRO A 86 2.933 -2.112 10.141 1.00 0.39 O ATOM 1210 CB PRO A 86 2.566 0.768 9.712 1.00 0.37 C ATOM 1211 CG PRO A 86 1.221 1.402 9.761 1.00 0.35 C ATOM 1212 CD PRO A 86 0.253 0.305 9.466 1.00 0.29 C ATOM 0 HA PRO A 86 2.902 -0.020 7.683 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.835 0.335 10.675 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.338 1.496 9.463 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.030 1.842 10.740 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.139 2.205 9.029 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.018 -0.251 10.364 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.673 0.685 9.035 1.00 0.29 H new ATOM 1220 N ILE A 87 4.056 -2.057 8.196 1.00 0.37 N ATOM 1221 CA ILE A 87 4.733 -3.318 8.411 1.00 0.47 C ATOM 1222 C ILE A 87 6.121 -3.114 9.012 1.00 0.57 C ATOM 1223 O ILE A 87 6.771 -2.094 8.765 1.00 0.56 O ATOM 1224 CB ILE A 87 4.858 -4.100 7.088 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.249 -3.162 5.940 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.556 -4.823 6.778 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.579 -3.881 4.651 1.00 0.49 C ATOM 0 H ILE A 87 4.322 -1.581 7.334 1.00 0.37 H new ATOM 0 HA ILE A 87 4.131 -3.891 9.116 1.00 0.47 H new ATOM 0 HB ILE A 87 5.647 -4.844 7.197 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.431 -2.465 5.758 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.111 -2.569 6.245 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.658 -5.371 5.841 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.327 -5.521 7.583 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.749 -4.096 6.687 1.00 0.53 H new ATOM 0 HD11 ILE A 87 5.846 -3.152 3.886 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.418 -4.557 4.816 1.00 0.49 H new ATOM 0 HD13 ILE A 87 4.712 -4.452 4.321 1.00 0.49 H new ATOM 1239 N PRO A 88 6.577 -4.077 9.833 1.00 0.73 N ATOM 1240 CA PRO A 88 7.918 -4.068 10.416 1.00 0.86 C ATOM 1241 C PRO A 88 8.994 -4.320 9.368 1.00 0.92 C ATOM 1242 O PRO A 88 8.720 -4.853 8.293 1.00 0.96 O ATOM 1243 CB PRO A 88 7.886 -5.229 11.419 1.00 1.05 C ATOM 1244 CG PRO A 88 6.448 -5.550 11.597 1.00 1.04 C ATOM 1245 CD PRO A 88 5.825 -5.256 10.275 1.00 0.85 C ATOM 0 HA PRO A 88 8.158 -3.105 10.866 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.438 -6.090 11.042 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.346 -4.945 12.365 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.308 -6.594 11.877 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.003 -4.946 12.387 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.930 -6.090 9.581 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.759 -5.049 10.365 1.00 0.85 H new