USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 137 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 152:sc= -0.126 (180deg=-0.911) USER MOD Single : A 75 SER OG : rot 89:sc= 0.132 USER MOD Single : A 76 LYS NZ :NH3+ 140:sc= 0.11 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -3.59! C(o=-3.6!,f=-8.9!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.961 F(o=-2.1!,f=-0.96) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00023 USER MOD Single : A 98 SER OG : rot 180:sc= -0.301 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.1!) USER MOD Single : A 106 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD Single : A 107 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 124 LYS NZ :NH3+ -169:sc= 0.201 (180deg=0.156) USER MOD Single : A 126 ASN : amide:sc= -0.714 K(o=-0.71,f=-3.6!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN :FLIP amide:sc= -1.03 F(o=-2.9!,f=-1) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -2.67! X(o=-2.7!,f=-2.2) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0.115 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.095) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 2.130 -1.233 1.764 1.00 51.44 N ATOM 2 CA TRP A 60 2.644 -0.960 0.426 1.00 13.21 C ATOM 3 C TRP A 60 2.936 -2.257 -0.320 1.00 22.13 C ATOM 4 O TRP A 60 3.381 -2.238 -1.468 1.00 3.25 O ATOM 5 CB TRP A 60 3.911 -0.107 0.508 1.00 21.53 C ATOM 6 CG TRP A 60 4.727 -0.373 1.737 1.00 21.41 C ATOM 7 CD1 TRP A 60 4.966 0.493 2.766 1.00 74.42 C ATOM 8 CD2 TRP A 60 5.413 -1.587 2.064 1.00 3.31 C ATOM 9 NE1 TRP A 60 5.759 -0.109 3.713 1.00 71.34 N ATOM 10 CE2 TRP A 60 6.046 -1.385 3.306 1.00 24.42 C ATOM 11 CE3 TRP A 60 5.553 -2.824 1.430 1.00 72.02 C ATOM 12 CZ2 TRP A 60 6.807 -2.375 3.923 1.00 70.43 C ATOM 13 CZ3 TRP A 60 6.308 -3.805 2.043 1.00 62.41 C ATOM 14 CH2 TRP A 60 6.927 -3.577 3.279 1.00 32.12 C ATOM 0 HA TRP A 60 1.880 -0.411 -0.125 1.00 13.21 H new ATOM 0 HB2 TRP A 60 4.524 -0.294 -0.374 1.00 21.53 H new ATOM 0 HB3 TRP A 60 3.633 0.947 0.486 1.00 21.53 H new ATOM 0 HD1 TRP A 60 4.587 1.503 2.826 1.00 74.42 H new ATOM 0 HE1 TRP A 60 6.082 0.324 4.578 1.00 71.34 H new ATOM 0 HE3 TRP A 60 5.079 -3.010 0.477 1.00 72.02 H new ATOM 0 HZ2 TRP A 60 7.285 -2.201 4.875 1.00 70.43 H new ATOM 0 HZ3 TRP A 60 6.423 -4.765 1.561 1.00 62.41 H new ATOM 0 HH2 TRP A 60 7.510 -4.365 3.733 1.00 32.12 H new ATOM 25 N PHE A 61 2.683 -3.383 0.339 1.00 63.21 N ATOM 26 CA PHE A 61 2.921 -4.690 -0.262 1.00 74.34 C ATOM 27 C PHE A 61 1.651 -5.226 -0.918 1.00 30.02 C ATOM 28 O PHE A 61 0.539 -4.915 -0.490 1.00 22.45 O ATOM 29 CB PHE A 61 3.419 -5.679 0.794 1.00 14.42 C ATOM 30 CG PHE A 61 2.991 -7.096 0.538 1.00 2.44 C ATOM 31 CD1 PHE A 61 3.449 -7.781 -0.575 1.00 53.15 C ATOM 32 CD2 PHE A 61 2.131 -7.742 1.412 1.00 63.14 C ATOM 33 CE1 PHE A 61 3.058 -9.085 -0.814 1.00 33.13 C ATOM 34 CE2 PHE A 61 1.737 -9.046 1.179 1.00 62.21 C ATOM 35 CZ PHE A 61 2.200 -9.718 0.064 1.00 31.13 C ATOM 0 H PHE A 61 2.313 -3.417 1.289 1.00 63.21 H new ATOM 0 HA PHE A 61 3.686 -4.575 -1.030 1.00 74.34 H new ATOM 0 HB2 PHE A 61 4.508 -5.638 0.834 1.00 14.42 H new ATOM 0 HB3 PHE A 61 3.053 -5.368 1.772 1.00 14.42 H new ATOM 0 HD1 PHE A 61 4.120 -7.290 -1.265 1.00 53.15 H new ATOM 0 HD2 PHE A 61 1.765 -7.221 2.284 1.00 63.14 H new ATOM 0 HE1 PHE A 61 3.423 -9.608 -1.686 1.00 33.13 H new ATOM 0 HE2 PHE A 61 1.068 -9.539 1.868 1.00 62.21 H new ATOM 0 HZ PHE A 61 1.892 -10.736 -0.121 1.00 31.13 H new ATOM 45 N PHE A 62 1.825 -6.032 -1.960 1.00 21.33 N ATOM 46 CA PHE A 62 0.694 -6.611 -2.676 1.00 43.42 C ATOM 47 C PHE A 62 0.894 -8.108 -2.890 1.00 22.22 C ATOM 48 O PHE A 62 2.015 -8.573 -3.093 1.00 32.41 O ATOM 49 CB PHE A 62 0.507 -5.912 -4.025 1.00 34.34 C ATOM 50 CG PHE A 62 -0.524 -4.820 -3.996 1.00 32.22 C ATOM 51 CD1 PHE A 62 -0.189 -3.544 -3.573 1.00 31.11 C ATOM 52 CD2 PHE A 62 -1.828 -5.070 -4.391 1.00 75.11 C ATOM 53 CE1 PHE A 62 -1.135 -2.537 -3.546 1.00 12.35 C ATOM 54 CE2 PHE A 62 -2.779 -4.067 -4.366 1.00 44.22 C ATOM 55 CZ PHE A 62 -2.432 -2.799 -3.942 1.00 1.12 C ATOM 0 H PHE A 62 2.738 -6.299 -2.328 1.00 21.33 H new ATOM 0 HA PHE A 62 -0.201 -6.465 -2.071 1.00 43.42 H new ATOM 0 HB2 PHE A 62 1.461 -5.492 -4.343 1.00 34.34 H new ATOM 0 HB3 PHE A 62 0.220 -6.652 -4.772 1.00 34.34 H new ATOM 0 HD1 PHE A 62 0.823 -3.334 -3.261 1.00 31.11 H new ATOM 0 HD2 PHE A 62 -2.105 -6.060 -4.722 1.00 75.11 H new ATOM 0 HE1 PHE A 62 -0.860 -1.546 -3.216 1.00 12.35 H new ATOM 0 HE2 PHE A 62 -3.792 -4.275 -4.678 1.00 44.22 H new ATOM 0 HZ PHE A 62 -3.173 -2.014 -3.920 1.00 1.12 H new ATOM 65 N GLY A 63 -0.203 -8.859 -2.842 1.00 5.44 N ATOM 66 CA GLY A 63 -0.127 -10.295 -3.031 1.00 32.44 C ATOM 67 C GLY A 63 -0.438 -10.710 -4.455 1.00 43.12 C ATOM 68 O GLY A 63 -1.533 -10.459 -4.958 1.00 41.25 O ATOM 0 H GLY A 63 -1.142 -8.498 -2.676 1.00 5.44 H new ATOM 0 HA2 GLY A 63 0.872 -10.641 -2.765 1.00 32.44 H new ATOM 0 HA3 GLY A 63 -0.825 -10.785 -2.352 1.00 32.44 H new ATOM 72 N LYS A 64 0.529 -11.345 -5.109 1.00 31.42 N ATOM 73 CA LYS A 64 0.355 -11.796 -6.485 1.00 10.33 C ATOM 74 C LYS A 64 -0.484 -10.801 -7.281 1.00 21.03 C ATOM 75 O LYS A 64 -1.712 -10.888 -7.302 1.00 10.34 O ATOM 76 CB LYS A 64 -0.308 -13.175 -6.512 1.00 0.33 C ATOM 77 CG LYS A 64 0.665 -14.322 -6.302 1.00 3.34 C ATOM 78 CD LYS A 64 0.085 -15.384 -5.383 1.00 24.00 C ATOM 79 CE LYS A 64 0.012 -14.897 -3.944 1.00 4.01 C ATOM 80 NZ LYS A 64 -0.906 -15.732 -3.122 1.00 32.24 N ATOM 0 H LYS A 64 1.442 -11.559 -4.708 1.00 31.42 H new ATOM 0 HA LYS A 64 1.340 -11.865 -6.946 1.00 10.33 H new ATOM 0 HB2 LYS A 64 -1.076 -13.215 -5.739 1.00 0.33 H new ATOM 0 HB3 LYS A 64 -0.812 -13.308 -7.469 1.00 0.33 H new ATOM 0 HG2 LYS A 64 0.915 -14.769 -7.264 1.00 3.34 H new ATOM 0 HG3 LYS A 64 1.593 -13.940 -5.877 1.00 3.34 H new ATOM 0 HD2 LYS A 64 -0.912 -15.658 -5.726 1.00 24.00 H new ATOM 0 HD3 LYS A 64 0.698 -16.284 -5.433 1.00 24.00 H new ATOM 0 HE2 LYS A 64 1.009 -14.913 -3.504 1.00 4.01 H new ATOM 0 HE3 LYS A 64 -0.327 -13.861 -3.928 1.00 4.01 H new ATOM 0 HZ1 LYS A 64 -0.928 -15.368 -2.148 1.00 32.24 H new ATOM 0 HZ2 LYS A 64 -1.863 -15.697 -3.527 1.00 32.24 H new ATOM 0 HZ3 LYS A 64 -0.569 -16.716 -3.116 1.00 32.24 H new ATOM 94 N ILE A 65 0.187 -9.859 -7.935 1.00 53.20 N ATOM 95 CA ILE A 65 -0.498 -8.850 -8.734 1.00 63.23 C ATOM 96 C ILE A 65 0.215 -8.625 -10.063 1.00 44.12 C ATOM 97 O ILE A 65 1.440 -8.510 -10.128 1.00 15.45 O ATOM 98 CB ILE A 65 -0.597 -7.509 -7.984 1.00 4.02 C ATOM 99 CG1 ILE A 65 0.795 -7.029 -7.568 1.00 3.42 C ATOM 100 CG2 ILE A 65 -1.500 -7.648 -6.768 1.00 14.21 C ATOM 101 CD1 ILE A 65 1.015 -5.548 -7.789 1.00 33.42 C ATOM 0 H ILE A 65 1.203 -9.773 -7.927 1.00 53.20 H new ATOM 0 HA ILE A 65 -1.504 -9.226 -8.922 1.00 63.23 H new ATOM 0 HB ILE A 65 -1.032 -6.767 -8.653 1.00 4.02 H new ATOM 0 HG12 ILE A 65 0.949 -7.258 -6.513 1.00 3.42 H new ATOM 0 HG13 ILE A 65 1.545 -7.587 -8.128 1.00 3.42 H new ATOM 0 HG21 ILE A 65 -1.560 -6.692 -6.248 1.00 14.21 H new ATOM 0 HG22 ILE A 65 -2.497 -7.950 -7.088 1.00 14.21 H new ATOM 0 HG23 ILE A 65 -1.091 -8.402 -6.095 1.00 14.21 H new ATOM 0 HD11 ILE A 65 2.022 -5.279 -7.472 1.00 33.42 H new ATOM 0 HD12 ILE A 65 0.893 -5.316 -8.847 1.00 33.42 H new ATOM 0 HD13 ILE A 65 0.288 -4.981 -7.207 1.00 33.42 H new ATOM 113 N PRO A 66 -0.567 -8.559 -11.151 1.00 1.33 N ATOM 114 CA PRO A 66 -0.032 -8.344 -12.499 1.00 31.13 C ATOM 115 C PRO A 66 0.516 -6.934 -12.687 1.00 3.21 C ATOM 116 O PRO A 66 -0.044 -5.966 -12.173 1.00 12.15 O ATOM 117 CB PRO A 66 -1.247 -8.571 -13.402 1.00 43.53 C ATOM 118 CG PRO A 66 -2.423 -8.269 -12.539 1.00 3.20 C ATOM 119 CD PRO A 66 -2.034 -8.688 -11.148 1.00 42.32 C ATOM 0 HA PRO A 66 0.807 -9.005 -12.715 1.00 31.13 H new ATOM 0 HB2 PRO A 66 -1.219 -7.919 -14.275 1.00 43.53 H new ATOM 0 HB3 PRO A 66 -1.280 -9.596 -13.771 1.00 43.53 H new ATOM 0 HG2 PRO A 66 -2.669 -7.208 -12.572 1.00 3.20 H new ATOM 0 HG3 PRO A 66 -3.305 -8.812 -12.878 1.00 3.20 H new ATOM 0 HD2 PRO A 66 -2.492 -8.049 -10.393 1.00 42.32 H new ATOM 0 HD3 PRO A 66 -2.347 -9.710 -10.934 1.00 42.32 H new ATOM 127 N ARG A 67 1.615 -6.825 -13.427 1.00 54.13 N ATOM 128 CA ARG A 67 2.239 -5.532 -13.683 1.00 31.44 C ATOM 129 C ARG A 67 1.187 -4.432 -13.788 1.00 41.03 C ATOM 130 O ARG A 67 1.331 -3.363 -13.196 1.00 42.11 O ATOM 131 CB ARG A 67 3.066 -5.587 -14.968 1.00 45.20 C ATOM 132 CG ARG A 67 3.571 -6.979 -15.309 1.00 75.54 C ATOM 133 CD ARG A 67 4.532 -6.951 -16.487 1.00 53.24 C ATOM 134 NE ARG A 67 5.923 -6.840 -16.056 1.00 73.44 N ATOM 135 CZ ARG A 67 6.954 -6.844 -16.894 1.00 30.04 C ATOM 136 NH1 ARG A 67 6.752 -6.951 -18.200 1.00 34.55 N ATOM 137 NH2 ARG A 67 8.191 -6.739 -16.425 1.00 30.41 N ATOM 0 H ARG A 67 2.091 -7.616 -13.860 1.00 54.13 H new ATOM 0 HA ARG A 67 2.897 -5.302 -12.845 1.00 31.44 H new ATOM 0 HB2 ARG A 67 2.461 -5.217 -15.795 1.00 45.20 H new ATOM 0 HB3 ARG A 67 3.918 -4.914 -14.870 1.00 45.20 H new ATOM 0 HG2 ARG A 67 4.071 -7.409 -14.441 1.00 75.54 H new ATOM 0 HG3 ARG A 67 2.726 -7.626 -15.543 1.00 75.54 H new ATOM 0 HD2 ARG A 67 4.407 -7.858 -17.078 1.00 53.24 H new ATOM 0 HD3 ARG A 67 4.285 -6.111 -17.136 1.00 53.24 H new ATOM 0 HE ARG A 67 6.113 -6.755 -15.058 1.00 73.44 H new ATOM 0 HH11 ARG A 67 5.803 -7.031 -18.564 1.00 34.55 H new ATOM 0 HH12 ARG A 67 7.546 -6.954 -18.840 1.00 34.55 H new ATOM 0 HH21 ARG A 67 8.350 -6.655 -15.421 1.00 30.41 H new ATOM 0 HH22 ARG A 67 8.982 -6.742 -17.069 1.00 30.41 H new ATOM 151 N ALA A 68 0.130 -4.702 -14.547 1.00 71.00 N ATOM 152 CA ALA A 68 -0.946 -3.736 -14.729 1.00 74.12 C ATOM 153 C ALA A 68 -1.476 -3.244 -13.386 1.00 60.44 C ATOM 154 O ALA A 68 -1.567 -2.040 -13.146 1.00 22.30 O ATOM 155 CB ALA A 68 -2.072 -4.348 -15.550 1.00 64.33 C ATOM 0 H ALA A 68 -0.004 -5.582 -15.046 1.00 71.00 H new ATOM 0 HA ALA A 68 -0.543 -2.878 -15.267 1.00 74.12 H new ATOM 0 HB1 ALA A 68 -2.869 -3.615 -15.678 1.00 64.33 H new ATOM 0 HB2 ALA A 68 -1.691 -4.644 -16.527 1.00 64.33 H new ATOM 0 HB3 ALA A 68 -2.464 -5.224 -15.033 1.00 64.33 H new ATOM 161 N LYS A 69 -1.825 -4.184 -12.514 1.00 14.42 N ATOM 162 CA LYS A 69 -2.346 -3.847 -11.194 1.00 42.20 C ATOM 163 C LYS A 69 -1.411 -2.884 -10.470 1.00 3.41 C ATOM 164 O LYS A 69 -1.844 -1.857 -9.949 1.00 15.15 O ATOM 165 CB LYS A 69 -2.535 -5.115 -10.359 1.00 31.30 C ATOM 166 CG LYS A 69 -3.873 -5.178 -9.643 1.00 10.23 C ATOM 167 CD LYS A 69 -4.809 -6.181 -10.296 1.00 22.23 C ATOM 168 CE LYS A 69 -5.674 -6.889 -9.265 1.00 32.34 C ATOM 169 NZ LYS A 69 -6.966 -6.182 -9.044 1.00 42.45 N ATOM 0 H LYS A 69 -1.757 -5.185 -12.697 1.00 14.42 H new ATOM 0 HA LYS A 69 -3.311 -3.359 -11.326 1.00 42.20 H new ATOM 0 HB2 LYS A 69 -2.439 -5.985 -11.008 1.00 31.30 H new ATOM 0 HB3 LYS A 69 -1.735 -5.177 -9.622 1.00 31.30 H new ATOM 0 HG2 LYS A 69 -3.716 -5.452 -8.600 1.00 10.23 H new ATOM 0 HG3 LYS A 69 -4.336 -4.191 -9.647 1.00 10.23 H new ATOM 0 HD2 LYS A 69 -5.446 -5.669 -11.017 1.00 22.23 H new ATOM 0 HD3 LYS A 69 -4.226 -6.917 -10.850 1.00 22.23 H new ATOM 0 HE2 LYS A 69 -5.870 -7.909 -9.595 1.00 32.34 H new ATOM 0 HE3 LYS A 69 -5.132 -6.958 -8.322 1.00 32.34 H new ATOM 0 HZ1 LYS A 69 -7.526 -6.696 -8.335 1.00 42.45 H new ATOM 0 HZ2 LYS A 69 -6.780 -5.217 -8.705 1.00 42.45 H new ATOM 0 HZ3 LYS A 69 -7.495 -6.139 -9.938 1.00 42.45 H new ATOM 183 N ALA A 70 -0.126 -3.222 -10.443 1.00 44.50 N ATOM 184 CA ALA A 70 0.871 -2.385 -9.786 1.00 53.31 C ATOM 185 C ALA A 70 0.854 -0.967 -10.349 1.00 23.45 C ATOM 186 O ALA A 70 0.719 0.003 -9.604 1.00 41.35 O ATOM 187 CB ALA A 70 2.255 -2.997 -9.935 1.00 25.54 C ATOM 0 H ALA A 70 0.249 -4.070 -10.868 1.00 44.50 H new ATOM 0 HA ALA A 70 0.622 -2.331 -8.726 1.00 53.31 H new ATOM 0 HB1 ALA A 70 2.989 -2.361 -9.440 1.00 25.54 H new ATOM 0 HB2 ALA A 70 2.266 -3.987 -9.479 1.00 25.54 H new ATOM 0 HB3 ALA A 70 2.503 -3.082 -10.993 1.00 25.54 H new ATOM 193 N GLU A 71 0.994 -0.857 -11.666 1.00 15.30 N ATOM 194 CA GLU A 71 0.996 0.443 -12.327 1.00 0.24 C ATOM 195 C GLU A 71 -0.246 1.247 -11.952 1.00 20.45 C ATOM 196 O GLU A 71 -0.210 2.475 -11.899 1.00 3.33 O ATOM 197 CB GLU A 71 1.064 0.268 -13.845 1.00 43.22 C ATOM 198 CG GLU A 71 2.253 -0.556 -14.310 1.00 60.11 C ATOM 199 CD GLU A 71 2.092 -1.064 -15.730 1.00 14.51 C ATOM 200 OE1 GLU A 71 1.314 -0.453 -16.493 1.00 13.34 O ATOM 201 OE2 GLU A 71 2.742 -2.071 -16.078 1.00 42.32 O ATOM 0 H GLU A 71 1.107 -1.651 -12.296 1.00 15.30 H new ATOM 0 HA GLU A 71 1.877 0.991 -11.992 1.00 0.24 H new ATOM 0 HB2 GLU A 71 0.146 -0.208 -14.189 1.00 43.22 H new ATOM 0 HB3 GLU A 71 1.108 1.251 -14.314 1.00 43.22 H new ATOM 0 HG2 GLU A 71 3.157 0.049 -14.245 1.00 60.11 H new ATOM 0 HG3 GLU A 71 2.388 -1.404 -13.638 1.00 60.11 H new ATOM 208 N GLU A 72 -1.343 0.542 -11.693 1.00 14.22 N ATOM 209 CA GLU A 72 -2.597 1.190 -11.324 1.00 63.12 C ATOM 210 C GLU A 72 -2.547 1.692 -9.884 1.00 21.52 C ATOM 211 O GLU A 72 -2.944 2.820 -9.594 1.00 60.25 O ATOM 212 CB GLU A 72 -3.768 0.221 -11.498 1.00 22.40 C ATOM 213 CG GLU A 72 -4.170 0.005 -12.947 1.00 41.44 C ATOM 214 CD GLU A 72 -4.955 1.172 -13.514 1.00 52.14 C ATOM 215 OE1 GLU A 72 -4.344 2.231 -13.771 1.00 33.51 O ATOM 216 OE2 GLU A 72 -6.181 1.026 -13.702 1.00 33.03 O ATOM 0 H GLU A 72 -1.389 -0.476 -11.732 1.00 14.22 H new ATOM 0 HA GLU A 72 -2.742 2.046 -11.984 1.00 63.12 H new ATOM 0 HB2 GLU A 72 -3.502 -0.740 -11.057 1.00 22.40 H new ATOM 0 HB3 GLU A 72 -4.627 0.600 -10.944 1.00 22.40 H new ATOM 0 HG2 GLU A 72 -3.275 -0.153 -13.549 1.00 41.44 H new ATOM 0 HG3 GLU A 72 -4.769 -0.902 -13.023 1.00 41.44 H new ATOM 223 N MET A 73 -2.057 0.844 -8.985 1.00 43.10 N ATOM 224 CA MET A 73 -1.954 1.201 -7.575 1.00 12.32 C ATOM 225 C MET A 73 -1.143 2.480 -7.396 1.00 3.45 C ATOM 226 O MET A 73 -1.407 3.274 -6.491 1.00 55.05 O ATOM 227 CB MET A 73 -1.312 0.061 -6.783 1.00 63.42 C ATOM 228 CG MET A 73 -2.129 -1.221 -6.791 1.00 55.33 C ATOM 229 SD MET A 73 -3.873 -0.934 -6.432 1.00 70.20 S ATOM 230 CE MET A 73 -4.585 -1.083 -8.069 1.00 2.11 C ATOM 0 H MET A 73 -1.725 -0.094 -9.208 1.00 43.10 H new ATOM 0 HA MET A 73 -2.961 1.374 -7.196 1.00 12.32 H new ATOM 0 HB2 MET A 73 -0.324 -0.145 -7.195 1.00 63.42 H new ATOM 0 HB3 MET A 73 -1.167 0.383 -5.752 1.00 63.42 H new ATOM 0 HG2 MET A 73 -2.037 -1.700 -7.766 1.00 55.33 H new ATOM 0 HG3 MET A 73 -1.719 -1.913 -6.055 1.00 55.33 H new ATOM 0 HE1 MET A 73 -5.617 -1.425 -7.987 1.00 2.11 H new ATOM 0 HE2 MET A 73 -4.562 -0.113 -8.565 1.00 2.11 H new ATOM 0 HE3 MET A 73 -4.010 -1.802 -8.652 1.00 2.11 H new ATOM 240 N LEU A 74 -0.154 2.674 -8.261 1.00 41.51 N ATOM 241 CA LEU A 74 0.697 3.858 -8.198 1.00 71.20 C ATOM 242 C LEU A 74 0.086 5.010 -8.989 1.00 3.30 C ATOM 243 O LEU A 74 0.114 6.160 -8.551 1.00 41.30 O ATOM 244 CB LEU A 74 2.092 3.537 -8.738 1.00 32.45 C ATOM 245 CG LEU A 74 2.668 2.177 -8.341 1.00 21.01 C ATOM 246 CD1 LEU A 74 3.779 1.769 -9.296 1.00 4.23 C ATOM 247 CD2 LEU A 74 3.180 2.212 -6.908 1.00 73.01 C ATOM 0 H LEU A 74 0.079 2.027 -9.014 1.00 41.51 H new ATOM 0 HA LEU A 74 0.779 4.161 -7.154 1.00 71.20 H new ATOM 0 HB2 LEU A 74 2.060 3.592 -9.826 1.00 32.45 H new ATOM 0 HB3 LEU A 74 2.778 4.313 -8.399 1.00 32.45 H new ATOM 0 HG LEU A 74 1.872 1.435 -8.403 1.00 21.01 H new ATOM 0 HD11 LEU A 74 4.177 0.799 -8.998 1.00 4.23 H new ATOM 0 HD12 LEU A 74 3.382 1.703 -10.309 1.00 4.23 H new ATOM 0 HD13 LEU A 74 4.576 2.513 -9.266 1.00 4.23 H new ATOM 0 HD21 LEU A 74 3.586 1.236 -6.643 1.00 73.01 H new ATOM 0 HD22 LEU A 74 3.962 2.967 -6.819 1.00 73.01 H new ATOM 0 HD23 LEU A 74 2.359 2.459 -6.234 1.00 73.01 H new ATOM 259 N SER A 75 -0.467 4.693 -10.155 1.00 43.24 N ATOM 260 CA SER A 75 -1.083 5.702 -11.009 1.00 12.45 C ATOM 261 C SER A 75 -2.194 6.438 -10.264 1.00 44.14 C ATOM 262 O SER A 75 -2.262 7.667 -10.283 1.00 44.35 O ATOM 263 CB SER A 75 -1.645 5.055 -12.276 1.00 10.32 C ATOM 264 OG SER A 75 -0.677 5.035 -13.310 1.00 63.23 O ATOM 0 H SER A 75 -0.501 3.745 -10.530 1.00 43.24 H new ATOM 0 HA SER A 75 -0.316 6.424 -11.289 1.00 12.45 H new ATOM 0 HB2 SER A 75 -1.968 4.037 -12.056 1.00 10.32 H new ATOM 0 HB3 SER A 75 -2.526 5.604 -12.609 1.00 10.32 H new ATOM 0 HG SER A 75 -0.144 4.215 -13.244 1.00 63.23 H new ATOM 270 N LYS A 76 -3.063 5.677 -9.609 1.00 21.41 N ATOM 271 CA LYS A 76 -4.171 6.253 -8.856 1.00 43.34 C ATOM 272 C LYS A 76 -3.663 7.243 -7.813 1.00 2.12 C ATOM 273 O LYS A 76 -4.377 8.166 -7.421 1.00 22.41 O ATOM 274 CB LYS A 76 -4.981 5.148 -8.175 1.00 12.41 C ATOM 275 CG LYS A 76 -4.213 4.410 -7.092 1.00 41.15 C ATOM 276 CD LYS A 76 -5.149 3.693 -6.134 1.00 54.23 C ATOM 277 CE LYS A 76 -4.515 2.428 -5.578 1.00 35.42 C ATOM 278 NZ LYS A 76 -4.912 2.185 -4.163 1.00 62.40 N ATOM 0 H LYS A 76 -3.022 4.658 -9.584 1.00 21.41 H new ATOM 0 HA LYS A 76 -4.814 6.787 -9.555 1.00 43.34 H new ATOM 0 HB2 LYS A 76 -5.879 5.584 -7.738 1.00 12.41 H new ATOM 0 HB3 LYS A 76 -5.308 4.432 -8.929 1.00 12.41 H new ATOM 0 HG2 LYS A 76 -3.538 3.688 -7.551 1.00 41.15 H new ATOM 0 HG3 LYS A 76 -3.595 5.116 -6.538 1.00 41.15 H new ATOM 0 HD2 LYS A 76 -5.412 4.360 -5.313 1.00 54.23 H new ATOM 0 HD3 LYS A 76 -6.076 3.441 -6.650 1.00 54.23 H new ATOM 0 HE2 LYS A 76 -4.809 1.575 -6.190 1.00 35.42 H new ATOM 0 HE3 LYS A 76 -3.430 2.507 -5.642 1.00 35.42 H new ATOM 0 HZ1 LYS A 76 -5.083 1.169 -4.020 1.00 62.40 H new ATOM 0 HZ2 LYS A 76 -4.150 2.500 -3.530 1.00 62.40 H new ATOM 0 HZ3 LYS A 76 -5.781 2.716 -3.950 1.00 62.40 H new ATOM 292 N GLN A 77 -2.426 7.045 -7.369 1.00 2.12 N ATOM 293 CA GLN A 77 -1.823 7.922 -6.371 1.00 73.44 C ATOM 294 C GLN A 77 -1.747 9.356 -6.883 1.00 5.42 C ATOM 295 O GLN A 77 -1.874 9.606 -8.082 1.00 24.14 O ATOM 296 CB GLN A 77 -0.425 7.424 -6.002 1.00 62.33 C ATOM 297 CG GLN A 77 -0.389 5.961 -5.591 1.00 63.43 C ATOM 298 CD GLN A 77 -1.325 5.655 -4.439 1.00 73.32 C ATOM 299 OE1 GLN A 77 -1.830 6.562 -3.777 1.00 33.20 O ATOM 300 NE2 GLN A 77 -1.563 4.372 -4.193 1.00 63.55 N ATOM 0 H GLN A 77 -1.822 6.286 -7.684 1.00 2.12 H new ATOM 0 HA GLN A 77 -2.452 7.906 -5.481 1.00 73.44 H new ATOM 0 HB2 GLN A 77 0.240 7.570 -6.853 1.00 62.33 H new ATOM 0 HB3 GLN A 77 -0.036 8.032 -5.185 1.00 62.33 H new ATOM 0 HG2 GLN A 77 -0.657 5.341 -6.446 1.00 63.43 H new ATOM 0 HG3 GLN A 77 0.629 5.692 -5.308 1.00 63.43 H new ATOM 0 HE21 GLN A 77 -1.123 3.653 -4.767 1.00 63.55 H new ATOM 0 HE22 GLN A 77 -2.186 4.106 -3.430 1.00 63.55 H new ATOM 309 N ARG A 78 -1.538 10.296 -5.966 1.00 34.30 N ATOM 310 CA ARG A 78 -1.446 11.706 -6.324 1.00 74.03 C ATOM 311 C ARG A 78 0.003 12.183 -6.289 1.00 33.44 C ATOM 312 O ARG A 78 0.391 13.080 -7.037 1.00 13.30 O ATOM 313 CB ARG A 78 -2.296 12.552 -5.374 1.00 73.14 C ATOM 314 CG ARG A 78 -3.615 11.900 -4.993 1.00 32.21 C ATOM 315 CD ARG A 78 -4.579 11.863 -6.169 1.00 31.05 C ATOM 316 NE ARG A 78 -5.969 12.000 -5.741 1.00 61.13 N ATOM 317 CZ ARG A 78 -6.953 12.377 -6.550 1.00 44.52 C ATOM 318 NH1 ARG A 78 -6.700 12.654 -7.822 1.00 72.12 N ATOM 319 NH2 ARG A 78 -8.192 12.479 -6.087 1.00 60.23 N ATOM 0 H ARG A 78 -1.429 10.106 -4.970 1.00 34.30 H new ATOM 0 HA ARG A 78 -1.824 11.822 -7.340 1.00 74.03 H new ATOM 0 HB2 ARG A 78 -1.724 12.751 -4.468 1.00 73.14 H new ATOM 0 HB3 ARG A 78 -2.498 13.516 -5.842 1.00 73.14 H new ATOM 0 HG2 ARG A 78 -3.432 10.885 -4.639 1.00 32.21 H new ATOM 0 HG3 ARG A 78 -4.068 12.448 -4.167 1.00 32.21 H new ATOM 0 HD2 ARG A 78 -4.333 12.665 -6.865 1.00 31.05 H new ATOM 0 HD3 ARG A 78 -4.457 10.924 -6.709 1.00 31.05 H new ATOM 0 HE ARG A 78 -6.196 11.795 -4.768 1.00 61.13 H new ATOM 0 HH11 ARG A 78 -5.748 12.578 -8.181 1.00 72.12 H new ATOM 0 HH12 ARG A 78 -7.457 12.943 -8.441 1.00 72.12 H new ATOM 0 HH21 ARG A 78 -8.390 12.268 -5.109 1.00 60.23 H new ATOM 0 HH22 ARG A 78 -8.947 12.769 -6.709 1.00 60.23 H new ATOM 333 N HIS A 79 0.798 11.576 -5.413 1.00 44.04 N ATOM 334 CA HIS A 79 2.205 11.938 -5.280 1.00 10.30 C ATOM 335 C HIS A 79 3.017 11.409 -6.458 1.00 75.15 C ATOM 336 O HIS A 79 2.464 10.833 -7.396 1.00 24.31 O ATOM 337 CB HIS A 79 2.772 11.392 -3.969 1.00 51.51 C ATOM 338 CG HIS A 79 1.723 11.085 -2.945 1.00 2.11 C ATOM 339 ND1 HIS A 79 0.550 11.700 -2.667 1.00 71.01 N flip ATOM 340 CD2 HIS A 79 1.822 10.033 -2.059 1.00 73.14 C flip ATOM 341 CE1 HIS A 79 -0.034 11.014 -1.630 1.00 73.11 C flip ATOM 342 NE2 HIS A 79 0.754 10.013 -1.282 1.00 42.44 N flip ATOM 0 H HIS A 79 0.492 10.832 -4.786 1.00 44.04 H new ATOM 0 HA HIS A 79 2.275 13.026 -5.273 1.00 10.30 H new ATOM 0 HB2 HIS A 79 3.340 10.486 -4.178 1.00 51.51 H new ATOM 0 HB3 HIS A 79 3.471 12.118 -3.555 1.00 51.51 H new ATOM 0 HD2 HIS A 79 2.644 9.335 -2.008 1.00 73.14 H new ATOM 0 HE1 HIS A 79 -0.983 11.254 -1.174 1.00 73.11 H new ATOM 0 HE2 HIS A 79 0.569 9.339 -0.539 1.00 42.44 H new ATOM 350 N ASP A 80 4.329 11.609 -6.404 1.00 53.03 N ATOM 351 CA ASP A 80 5.216 11.152 -7.467 1.00 64.40 C ATOM 352 C ASP A 80 6.377 10.343 -6.895 1.00 73.14 C ATOM 353 O ASP A 80 7.275 10.892 -6.260 1.00 25.25 O ATOM 354 CB ASP A 80 5.752 12.344 -8.262 1.00 31.43 C ATOM 355 CG ASP A 80 4.686 13.388 -8.528 1.00 74.34 C ATOM 356 OD1 ASP A 80 4.171 13.974 -7.553 1.00 22.34 O ATOM 357 OD2 ASP A 80 4.366 13.620 -9.713 1.00 20.40 O ATOM 0 H ASP A 80 4.802 12.085 -5.635 1.00 53.03 H new ATOM 0 HA ASP A 80 4.642 10.509 -8.134 1.00 64.40 H new ATOM 0 HB2 ASP A 80 6.576 12.801 -7.714 1.00 31.43 H new ATOM 0 HB3 ASP A 80 6.157 11.992 -9.211 1.00 31.43 H new ATOM 362 N GLY A 81 6.349 9.034 -7.126 1.00 23.42 N ATOM 363 CA GLY A 81 7.403 8.170 -6.626 1.00 43.20 C ATOM 364 C GLY A 81 6.872 7.057 -5.746 1.00 31.53 C ATOM 365 O GLY A 81 7.609 6.487 -4.941 1.00 53.02 O ATOM 0 H GLY A 81 5.616 8.556 -7.650 1.00 23.42 H new ATOM 0 HA2 GLY A 81 7.943 7.737 -7.468 1.00 43.20 H new ATOM 0 HA3 GLY A 81 8.119 8.766 -6.060 1.00 43.20 H new ATOM 369 N ALA A 82 5.589 6.746 -5.897 1.00 15.22 N ATOM 370 CA ALA A 82 4.959 5.693 -5.109 1.00 44.33 C ATOM 371 C ALA A 82 5.634 4.348 -5.354 1.00 33.44 C ATOM 372 O ALA A 82 5.906 3.976 -6.496 1.00 12.45 O ATOM 373 CB ALA A 82 3.475 5.608 -5.432 1.00 51.22 C ATOM 0 H ALA A 82 4.965 7.208 -6.558 1.00 15.22 H new ATOM 0 HA ALA A 82 5.075 5.942 -4.054 1.00 44.33 H new ATOM 0 HB1 ALA A 82 3.018 4.818 -4.837 1.00 51.22 H new ATOM 0 HB2 ALA A 82 2.997 6.560 -5.200 1.00 51.22 H new ATOM 0 HB3 ALA A 82 3.345 5.385 -6.491 1.00 51.22 H new ATOM 379 N PHE A 83 5.902 3.621 -4.274 1.00 32.31 N ATOM 380 CA PHE A 83 6.546 2.316 -4.371 1.00 43.22 C ATOM 381 C PHE A 83 5.587 1.204 -3.958 1.00 64.51 C ATOM 382 O PHE A 83 4.796 1.364 -3.028 1.00 72.20 O ATOM 383 CB PHE A 83 7.800 2.276 -3.494 1.00 54.44 C ATOM 384 CG PHE A 83 7.503 2.094 -2.033 1.00 44.22 C ATOM 385 CD1 PHE A 83 7.341 0.826 -1.498 1.00 41.44 C ATOM 386 CD2 PHE A 83 7.387 3.191 -1.195 1.00 12.05 C ATOM 387 CE1 PHE A 83 7.069 0.655 -0.154 1.00 52.31 C ATOM 388 CE2 PHE A 83 7.115 3.026 0.151 1.00 41.05 C ATOM 389 CZ PHE A 83 6.955 1.757 0.671 1.00 34.21 C ATOM 0 H PHE A 83 5.683 3.913 -3.322 1.00 32.31 H new ATOM 0 HA PHE A 83 6.833 2.157 -5.410 1.00 43.22 H new ATOM 0 HB2 PHE A 83 8.443 1.463 -3.830 1.00 54.44 H new ATOM 0 HB3 PHE A 83 8.359 3.202 -3.631 1.00 54.44 H new ATOM 0 HD1 PHE A 83 7.428 -0.039 -2.139 1.00 41.44 H new ATOM 0 HD2 PHE A 83 7.510 4.186 -1.597 1.00 12.05 H new ATOM 0 HE1 PHE A 83 6.946 -0.339 0.251 1.00 52.31 H new ATOM 0 HE2 PHE A 83 7.028 3.889 0.795 1.00 41.05 H new ATOM 0 HZ PHE A 83 6.741 1.626 1.721 1.00 34.21 H new ATOM 399 N LEU A 84 5.664 0.076 -4.656 1.00 74.11 N ATOM 400 CA LEU A 84 4.803 -1.065 -4.363 1.00 55.24 C ATOM 401 C LEU A 84 5.550 -2.378 -4.568 1.00 24.31 C ATOM 402 O LEU A 84 6.031 -2.666 -5.664 1.00 43.35 O ATOM 403 CB LEU A 84 3.557 -1.030 -5.251 1.00 64.13 C ATOM 404 CG LEU A 84 2.643 -2.253 -5.174 1.00 22.35 C ATOM 405 CD1 LEU A 84 1.186 -1.841 -5.313 1.00 42.45 C ATOM 406 CD2 LEU A 84 3.017 -3.268 -6.244 1.00 43.35 C ATOM 0 H LEU A 84 6.313 -0.073 -5.428 1.00 74.11 H new ATOM 0 HA LEU A 84 4.499 -1.001 -3.318 1.00 55.24 H new ATOM 0 HB2 LEU A 84 2.973 -0.148 -4.988 1.00 64.13 H new ATOM 0 HB3 LEU A 84 3.876 -0.905 -6.286 1.00 64.13 H new ATOM 0 HG LEU A 84 2.775 -2.720 -4.198 1.00 22.35 H new ATOM 0 HD11 LEU A 84 0.551 -2.725 -5.256 1.00 42.45 H new ATOM 0 HD12 LEU A 84 0.924 -1.153 -4.509 1.00 42.45 H new ATOM 0 HD13 LEU A 84 1.037 -1.349 -6.274 1.00 42.45 H new ATOM 0 HD21 LEU A 84 2.356 -4.131 -6.173 1.00 43.35 H new ATOM 0 HD22 LEU A 84 2.915 -2.812 -7.229 1.00 43.35 H new ATOM 0 HD23 LEU A 84 4.049 -3.588 -6.097 1.00 43.35 H new ATOM 418 N ILE A 85 5.643 -3.172 -3.506 1.00 75.24 N ATOM 419 CA ILE A 85 6.329 -4.457 -3.571 1.00 13.51 C ATOM 420 C ILE A 85 5.337 -5.601 -3.753 1.00 45.24 C ATOM 421 O ILE A 85 4.474 -5.829 -2.906 1.00 25.23 O ATOM 422 CB ILE A 85 7.164 -4.713 -2.302 1.00 73.05 C ATOM 423 CG1 ILE A 85 8.195 -3.599 -2.111 1.00 23.42 C ATOM 424 CG2 ILE A 85 7.849 -6.069 -2.385 1.00 10.14 C ATOM 425 CD1 ILE A 85 9.090 -3.805 -0.908 1.00 54.41 C ATOM 0 H ILE A 85 5.252 -2.948 -2.591 1.00 75.24 H new ATOM 0 HA ILE A 85 6.995 -4.417 -4.433 1.00 13.51 H new ATOM 0 HB ILE A 85 6.498 -4.717 -1.439 1.00 73.05 H new ATOM 0 HG12 ILE A 85 8.813 -3.529 -3.006 1.00 23.42 H new ATOM 0 HG13 ILE A 85 7.675 -2.647 -2.008 1.00 23.42 H new ATOM 0 HG21 ILE A 85 8.435 -6.236 -1.482 1.00 10.14 H new ATOM 0 HG22 ILE A 85 7.096 -6.852 -2.479 1.00 10.14 H new ATOM 0 HG23 ILE A 85 8.507 -6.092 -3.254 1.00 10.14 H new ATOM 0 HD11 ILE A 85 9.796 -2.978 -0.834 1.00 54.41 H new ATOM 0 HD12 ILE A 85 8.482 -3.845 -0.004 1.00 54.41 H new ATOM 0 HD13 ILE A 85 9.638 -4.741 -1.018 1.00 54.41 H new ATOM 437 N ARG A 86 5.468 -6.318 -4.864 1.00 65.34 N ATOM 438 CA ARG A 86 4.585 -7.440 -5.158 1.00 53.02 C ATOM 439 C ARG A 86 5.313 -8.768 -4.975 1.00 72.41 C ATOM 440 O ARG A 86 6.510 -8.872 -5.240 1.00 0.12 O ATOM 441 CB ARG A 86 4.048 -7.333 -6.587 1.00 34.24 C ATOM 442 CG ARG A 86 5.132 -7.384 -7.650 1.00 61.04 C ATOM 443 CD ARG A 86 4.755 -6.558 -8.870 1.00 41.12 C ATOM 444 NE ARG A 86 5.920 -5.929 -9.487 1.00 21.31 N ATOM 445 CZ ARG A 86 5.960 -5.541 -10.757 1.00 31.42 C ATOM 446 NH1 ARG A 86 4.905 -5.716 -11.540 1.00 74.42 N ATOM 447 NH2 ARG A 86 7.057 -4.977 -11.245 1.00 53.32 N ATOM 0 H ARG A 86 6.177 -6.142 -5.576 1.00 65.34 H new ATOM 0 HA ARG A 86 3.749 -7.405 -4.459 1.00 53.02 H new ATOM 0 HB2 ARG A 86 3.341 -8.144 -6.762 1.00 34.24 H new ATOM 0 HB3 ARG A 86 3.494 -6.400 -6.689 1.00 34.24 H new ATOM 0 HG2 ARG A 86 6.069 -7.014 -7.234 1.00 61.04 H new ATOM 0 HG3 ARG A 86 5.302 -8.418 -7.948 1.00 61.04 H new ATOM 0 HD2 ARG A 86 4.258 -7.197 -9.601 1.00 41.12 H new ATOM 0 HD3 ARG A 86 4.039 -5.789 -8.580 1.00 41.12 H new ATOM 0 HE ARG A 86 6.748 -5.779 -8.911 1.00 21.31 H new ATOM 0 HH11 ARG A 86 4.060 -6.149 -11.168 1.00 74.42 H new ATOM 0 HH12 ARG A 86 4.938 -5.417 -12.515 1.00 74.42 H new ATOM 0 HH21 ARG A 86 7.871 -4.841 -10.645 1.00 53.32 H new ATOM 0 HH22 ARG A 86 7.087 -4.679 -12.220 1.00 53.32 H new ATOM 461 N GLU A 87 4.581 -9.781 -4.520 1.00 41.24 N ATOM 462 CA GLU A 87 5.158 -11.102 -4.301 1.00 5.31 C ATOM 463 C GLU A 87 4.823 -12.041 -5.456 1.00 12.12 C ATOM 464 O GLU A 87 3.762 -11.932 -6.070 1.00 53.02 O ATOM 465 CB GLU A 87 4.650 -11.693 -2.984 1.00 41.42 C ATOM 466 CG GLU A 87 5.268 -13.038 -2.642 1.00 74.24 C ATOM 467 CD GLU A 87 4.319 -13.937 -1.874 1.00 34.12 C ATOM 468 OE1 GLU A 87 4.167 -13.733 -0.651 1.00 72.43 O ATOM 469 OE2 GLU A 87 3.728 -14.845 -2.496 1.00 15.41 O ATOM 0 H GLU A 87 3.588 -9.712 -4.296 1.00 41.24 H new ATOM 0 HA GLU A 87 6.241 -10.993 -4.248 1.00 5.31 H new ATOM 0 HB2 GLU A 87 4.858 -10.991 -2.176 1.00 41.42 H new ATOM 0 HB3 GLU A 87 3.567 -11.804 -3.039 1.00 41.42 H new ATOM 0 HG2 GLU A 87 5.572 -13.538 -3.561 1.00 74.24 H new ATOM 0 HG3 GLU A 87 6.170 -12.880 -2.052 1.00 74.24 H new ATOM 476 N SER A 88 5.735 -12.963 -5.745 1.00 44.03 N ATOM 477 CA SER A 88 5.539 -13.919 -6.829 1.00 1.11 C ATOM 478 C SER A 88 4.562 -15.015 -6.416 1.00 32.22 C ATOM 479 O SER A 88 4.213 -15.139 -5.243 1.00 35.55 O ATOM 480 CB SER A 88 6.876 -14.540 -7.238 1.00 42.41 C ATOM 481 OG SER A 88 7.421 -13.878 -8.367 1.00 25.25 O ATOM 0 H SER A 88 6.617 -13.069 -5.244 1.00 44.03 H new ATOM 0 HA SER A 88 5.119 -13.384 -7.681 1.00 1.11 H new ATOM 0 HB2 SER A 88 7.577 -14.483 -6.405 1.00 42.41 H new ATOM 0 HB3 SER A 88 6.736 -15.597 -7.465 1.00 42.41 H new ATOM 0 HG SER A 88 8.276 -14.292 -8.608 1.00 25.25 H new ATOM 487 N GLU A 89 4.125 -15.807 -7.390 1.00 33.42 N ATOM 488 CA GLU A 89 3.187 -16.893 -7.128 1.00 11.22 C ATOM 489 C GLU A 89 3.925 -18.214 -6.933 1.00 72.31 C ATOM 490 O GLU A 89 3.802 -18.858 -5.891 1.00 60.53 O ATOM 491 CB GLU A 89 2.185 -17.020 -8.278 1.00 4.05 C ATOM 492 CG GLU A 89 2.559 -16.204 -9.504 1.00 24.05 C ATOM 493 CD GLU A 89 1.473 -16.209 -10.561 1.00 51.13 C ATOM 494 OE1 GLU A 89 1.402 -17.186 -11.335 1.00 61.05 O ATOM 495 OE2 GLU A 89 0.693 -15.235 -10.614 1.00 50.12 O ATOM 0 H GLU A 89 4.405 -15.717 -8.367 1.00 33.42 H new ATOM 0 HA GLU A 89 2.647 -16.659 -6.210 1.00 11.22 H new ATOM 0 HB2 GLU A 89 2.102 -18.069 -8.562 1.00 4.05 H new ATOM 0 HB3 GLU A 89 1.202 -16.705 -7.928 1.00 4.05 H new ATOM 0 HG2 GLU A 89 2.764 -15.176 -9.203 1.00 24.05 H new ATOM 0 HG3 GLU A 89 3.480 -16.600 -9.932 1.00 24.05 H new ATOM 502 N SER A 90 4.691 -18.612 -7.944 1.00 0.02 N ATOM 503 CA SER A 90 5.446 -19.858 -7.887 1.00 34.44 C ATOM 504 C SER A 90 6.890 -19.600 -7.468 1.00 71.42 C ATOM 505 O SER A 90 7.758 -20.456 -7.636 1.00 5.21 O ATOM 506 CB SER A 90 5.414 -20.561 -9.245 1.00 61.12 C ATOM 507 OG SER A 90 4.437 -21.587 -9.266 1.00 55.23 O ATOM 0 H SER A 90 4.805 -18.089 -8.812 1.00 0.02 H new ATOM 0 HA SER A 90 4.980 -20.503 -7.142 1.00 34.44 H new ATOM 0 HB2 SER A 90 5.200 -19.835 -10.029 1.00 61.12 H new ATOM 0 HB3 SER A 90 6.395 -20.984 -9.462 1.00 61.12 H new ATOM 0 HG SER A 90 4.436 -22.019 -10.145 1.00 55.23 H new ATOM 513 N ALA A 91 7.138 -18.414 -6.923 1.00 23.34 N ATOM 514 CA ALA A 91 8.476 -18.043 -6.478 1.00 51.10 C ATOM 515 C ALA A 91 8.458 -17.553 -5.034 1.00 41.21 C ATOM 516 O ALA A 91 8.303 -16.363 -4.759 1.00 4.20 O ATOM 517 CB ALA A 91 9.059 -16.976 -7.393 1.00 12.35 C ATOM 0 H ALA A 91 6.430 -17.694 -6.779 1.00 23.34 H new ATOM 0 HA ALA A 91 9.107 -18.930 -6.525 1.00 51.10 H new ATOM 0 HB1 ALA A 91 10.058 -16.708 -7.049 1.00 12.35 H new ATOM 0 HB2 ALA A 91 9.117 -17.361 -8.411 1.00 12.35 H new ATOM 0 HB3 ALA A 91 8.420 -16.093 -7.375 1.00 12.35 H new ATOM 523 N PRO A 92 8.619 -18.490 -4.088 1.00 63.02 N ATOM 524 CA PRO A 92 8.625 -18.177 -2.656 1.00 42.32 C ATOM 525 C PRO A 92 9.869 -17.401 -2.238 1.00 4.33 C ATOM 526 O PRO A 92 10.994 -17.812 -2.521 1.00 53.31 O ATOM 527 CB PRO A 92 8.606 -19.555 -1.991 1.00 61.33 C ATOM 528 CG PRO A 92 9.209 -20.471 -3.000 1.00 43.30 C ATOM 529 CD PRO A 92 8.809 -19.928 -4.344 1.00 12.21 C ATOM 0 HA PRO A 92 7.785 -17.542 -2.374 1.00 42.32 H new ATOM 0 HB2 PRO A 92 9.179 -19.555 -1.064 1.00 61.33 H new ATOM 0 HB3 PRO A 92 7.590 -19.858 -1.738 1.00 61.33 H new ATOM 0 HG2 PRO A 92 10.294 -20.503 -2.899 1.00 43.30 H new ATOM 0 HG3 PRO A 92 8.847 -21.490 -2.867 1.00 43.30 H new ATOM 0 HD2 PRO A 92 9.580 -20.104 -5.094 1.00 12.21 H new ATOM 0 HD3 PRO A 92 7.895 -20.395 -4.710 1.00 12.21 H new ATOM 537 N GLY A 93 9.660 -16.275 -1.561 1.00 31.52 N ATOM 538 CA GLY A 93 10.774 -15.460 -1.114 1.00 62.20 C ATOM 539 C GLY A 93 11.219 -14.461 -2.164 1.00 23.43 C ATOM 540 O GLY A 93 12.256 -13.814 -2.014 1.00 55.40 O ATOM 0 H GLY A 93 8.739 -15.913 -1.315 1.00 31.52 H new ATOM 0 HA2 GLY A 93 10.489 -14.927 -0.207 1.00 62.20 H new ATOM 0 HA3 GLY A 93 11.612 -16.107 -0.854 1.00 62.20 H new ATOM 544 N ASP A 94 10.436 -14.337 -3.230 1.00 22.25 N ATOM 545 CA ASP A 94 10.756 -13.410 -4.309 1.00 74.52 C ATOM 546 C ASP A 94 9.974 -12.109 -4.157 1.00 45.02 C ATOM 547 O ASP A 94 8.745 -12.115 -4.085 1.00 24.22 O ATOM 548 CB ASP A 94 10.449 -14.048 -5.665 1.00 71.41 C ATOM 549 CG ASP A 94 10.601 -13.070 -6.813 1.00 11.10 C ATOM 550 OD1 ASP A 94 9.969 -11.994 -6.763 1.00 53.34 O ATOM 551 OD2 ASP A 94 11.353 -13.380 -7.761 1.00 14.34 O ATOM 0 H ASP A 94 9.576 -14.867 -3.370 1.00 22.25 H new ATOM 0 HA ASP A 94 11.820 -13.182 -4.256 1.00 74.52 H new ATOM 0 HB2 ASP A 94 11.115 -14.896 -5.823 1.00 71.41 H new ATOM 0 HB3 ASP A 94 9.432 -14.439 -5.657 1.00 71.41 H new ATOM 556 N PHE A 95 10.696 -10.994 -4.108 1.00 70.14 N ATOM 557 CA PHE A 95 10.071 -9.685 -3.963 1.00 11.33 C ATOM 558 C PHE A 95 10.439 -8.773 -5.130 1.00 23.23 C ATOM 559 O PHE A 95 11.559 -8.821 -5.640 1.00 34.44 O ATOM 560 CB PHE A 95 10.494 -9.038 -2.642 1.00 44.13 C ATOM 561 CG PHE A 95 9.650 -9.456 -1.472 1.00 43.23 C ATOM 562 CD1 PHE A 95 8.323 -9.069 -1.385 1.00 53.15 C ATOM 563 CD2 PHE A 95 10.185 -10.235 -0.459 1.00 32.11 C ATOM 564 CE1 PHE A 95 7.543 -9.452 -0.310 1.00 41.03 C ATOM 565 CE2 PHE A 95 9.410 -10.622 0.618 1.00 10.53 C ATOM 566 CZ PHE A 95 8.088 -10.229 0.693 1.00 11.54 C ATOM 0 H PHE A 95 11.714 -10.971 -4.167 1.00 70.14 H new ATOM 0 HA PHE A 95 8.990 -9.825 -3.962 1.00 11.33 H new ATOM 0 HB2 PHE A 95 11.534 -9.293 -2.439 1.00 44.13 H new ATOM 0 HB3 PHE A 95 10.446 -7.954 -2.746 1.00 44.13 H new ATOM 0 HD1 PHE A 95 7.892 -8.461 -2.167 1.00 53.15 H new ATOM 0 HD2 PHE A 95 11.219 -10.543 -0.511 1.00 32.11 H new ATOM 0 HE1 PHE A 95 6.509 -9.144 -0.255 1.00 41.03 H new ATOM 0 HE2 PHE A 95 9.838 -11.231 1.400 1.00 10.53 H new ATOM 0 HZ PHE A 95 7.482 -10.529 1.535 1.00 11.54 H new ATOM 576 N SER A 96 9.489 -7.943 -5.548 1.00 32.34 N ATOM 577 CA SER A 96 9.711 -7.024 -6.657 1.00 52.51 C ATOM 578 C SER A 96 9.088 -5.661 -6.366 1.00 61.44 C ATOM 579 O SER A 96 7.890 -5.557 -6.102 1.00 34.13 O ATOM 580 CB SER A 96 9.127 -7.599 -7.949 1.00 14.22 C ATOM 581 OG SER A 96 8.989 -6.594 -8.938 1.00 42.33 O ATOM 0 H SER A 96 8.558 -7.888 -5.135 1.00 32.34 H new ATOM 0 HA SER A 96 10.786 -6.894 -6.779 1.00 52.51 H new ATOM 0 HB2 SER A 96 9.773 -8.394 -8.322 1.00 14.22 H new ATOM 0 HB3 SER A 96 8.155 -8.048 -7.744 1.00 14.22 H new ATOM 0 HG SER A 96 8.615 -6.987 -9.754 1.00 42.33 H new ATOM 587 N LEU A 97 9.910 -4.619 -6.418 1.00 23.35 N ATOM 588 CA LEU A 97 9.442 -3.262 -6.160 1.00 0.11 C ATOM 589 C LEU A 97 9.097 -2.548 -7.463 1.00 64.22 C ATOM 590 O LEU A 97 9.813 -2.671 -8.458 1.00 15.14 O ATOM 591 CB LEU A 97 10.506 -2.470 -5.398 1.00 20.34 C ATOM 592 CG LEU A 97 10.156 -1.018 -5.069 1.00 73.54 C ATOM 593 CD1 LEU A 97 10.102 -0.182 -6.339 1.00 35.45 C ATOM 594 CD2 LEU A 97 8.832 -0.945 -4.323 1.00 55.02 C ATOM 0 H LEU A 97 10.904 -4.688 -6.636 1.00 23.35 H new ATOM 0 HA LEU A 97 8.540 -3.325 -5.552 1.00 0.11 H new ATOM 0 HB2 LEU A 97 10.719 -2.991 -4.465 1.00 20.34 H new ATOM 0 HB3 LEU A 97 11.425 -2.477 -5.984 1.00 20.34 H new ATOM 0 HG LEU A 97 10.936 -0.613 -4.424 1.00 73.54 H new ATOM 0 HD11 LEU A 97 9.852 0.848 -6.086 1.00 35.45 H new ATOM 0 HD12 LEU A 97 11.073 -0.209 -6.834 1.00 35.45 H new ATOM 0 HD13 LEU A 97 9.343 -0.586 -7.009 1.00 35.45 H new ATOM 0 HD21 LEU A 97 8.599 0.095 -4.097 1.00 55.02 H new ATOM 0 HD22 LEU A 97 8.041 -1.368 -4.943 1.00 55.02 H new ATOM 0 HD23 LEU A 97 8.906 -1.510 -3.394 1.00 55.02 H new ATOM 606 N SER A 98 7.998 -1.801 -7.450 1.00 5.41 N ATOM 607 CA SER A 98 7.558 -1.068 -8.631 1.00 70.03 C ATOM 608 C SER A 98 7.294 0.397 -8.295 1.00 63.42 C ATOM 609 O SER A 98 6.349 0.720 -7.576 1.00 52.22 O ATOM 610 CB SER A 98 6.294 -1.706 -9.211 1.00 12.42 C ATOM 611 OG SER A 98 6.563 -2.336 -10.451 1.00 62.01 O ATOM 0 H SER A 98 7.396 -1.687 -6.635 1.00 5.41 H new ATOM 0 HA SER A 98 8.354 -1.114 -9.374 1.00 70.03 H new ATOM 0 HB2 SER A 98 5.896 -2.437 -8.507 1.00 12.42 H new ATOM 0 HB3 SER A 98 5.527 -0.943 -9.346 1.00 12.42 H new ATOM 0 HG SER A 98 5.740 -2.737 -10.800 1.00 62.01 H new ATOM 617 N VAL A 99 8.138 1.279 -8.821 1.00 51.11 N ATOM 618 CA VAL A 99 7.997 2.710 -8.579 1.00 31.12 C ATOM 619 C VAL A 99 7.511 3.434 -9.830 1.00 24.14 C ATOM 620 O VAL A 99 7.936 3.126 -10.943 1.00 61.43 O ATOM 621 CB VAL A 99 9.328 3.335 -8.121 1.00 13.52 C ATOM 622 CG1 VAL A 99 9.570 4.657 -8.833 1.00 53.52 C ATOM 623 CG2 VAL A 99 9.336 3.525 -6.611 1.00 74.54 C ATOM 0 H VAL A 99 8.926 1.028 -9.417 1.00 51.11 H new ATOM 0 HA VAL A 99 7.258 2.826 -7.786 1.00 31.12 H new ATOM 0 HB VAL A 99 10.138 2.654 -8.383 1.00 13.52 H new ATOM 0 HG11 VAL A 99 10.515 5.084 -8.497 1.00 53.52 H new ATOM 0 HG12 VAL A 99 9.611 4.489 -9.909 1.00 53.52 H new ATOM 0 HG13 VAL A 99 8.758 5.347 -8.604 1.00 53.52 H new ATOM 0 HG21 VAL A 99 10.284 3.968 -6.305 1.00 74.54 H new ATOM 0 HG22 VAL A 99 8.518 4.185 -6.323 1.00 74.54 H new ATOM 0 HG23 VAL A 99 9.212 2.559 -6.122 1.00 74.54 H new ATOM 633 N LYS A 100 6.619 4.399 -9.639 1.00 13.33 N ATOM 634 CA LYS A 100 6.075 5.170 -10.751 1.00 2.25 C ATOM 635 C LYS A 100 6.954 6.380 -11.055 1.00 34.51 C ATOM 636 O LYS A 100 7.404 7.077 -10.146 1.00 21.34 O ATOM 637 CB LYS A 100 4.650 5.629 -10.432 1.00 24.22 C ATOM 638 CG LYS A 100 4.112 6.663 -11.406 1.00 31.53 C ATOM 639 CD LYS A 100 2.709 7.106 -11.028 1.00 54.44 C ATOM 640 CE LYS A 100 1.991 7.747 -12.207 1.00 11.05 C ATOM 641 NZ LYS A 100 1.142 8.895 -11.782 1.00 23.44 N ATOM 0 H LYS A 100 6.257 4.666 -8.724 1.00 13.33 H new ATOM 0 HA LYS A 100 6.054 4.527 -11.631 1.00 2.25 H new ATOM 0 HB2 LYS A 100 3.989 4.762 -10.433 1.00 24.22 H new ATOM 0 HB3 LYS A 100 4.628 6.045 -9.425 1.00 24.22 H new ATOM 0 HG2 LYS A 100 4.775 7.528 -11.424 1.00 31.53 H new ATOM 0 HG3 LYS A 100 4.104 6.246 -12.413 1.00 31.53 H new ATOM 0 HD2 LYS A 100 2.138 6.247 -10.676 1.00 54.44 H new ATOM 0 HD3 LYS A 100 2.760 7.816 -10.202 1.00 54.44 H new ATOM 0 HE2 LYS A 100 2.725 8.089 -12.937 1.00 11.05 H new ATOM 0 HE3 LYS A 100 1.371 7.001 -12.704 1.00 11.05 H new ATOM 0 HZ1 LYS A 100 0.670 9.304 -12.613 1.00 23.44 H new ATOM 0 HZ2 LYS A 100 0.425 8.565 -11.105 1.00 23.44 H new ATOM 0 HZ3 LYS A 100 1.737 9.619 -11.331 1.00 23.44 H new ATOM 655 N PHE A 101 7.192 6.624 -12.339 1.00 63.42 N ATOM 656 CA PHE A 101 8.016 7.749 -12.763 1.00 45.42 C ATOM 657 C PHE A 101 7.382 8.472 -13.948 1.00 62.11 C ATOM 658 O PHE A 101 7.602 8.106 -15.102 1.00 54.21 O ATOM 659 CB PHE A 101 9.420 7.269 -13.136 1.00 64.04 C ATOM 660 CG PHE A 101 10.291 6.979 -11.947 1.00 53.10 C ATOM 661 CD1 PHE A 101 10.409 7.899 -10.918 1.00 34.14 C ATOM 662 CD2 PHE A 101 10.991 5.787 -11.859 1.00 23.12 C ATOM 663 CE1 PHE A 101 11.208 7.635 -9.821 1.00 43.14 C ATOM 664 CE2 PHE A 101 11.792 5.517 -10.765 1.00 40.50 C ATOM 665 CZ PHE A 101 11.902 6.443 -9.746 1.00 13.23 C ATOM 0 H PHE A 101 6.826 6.058 -13.104 1.00 63.42 H new ATOM 0 HA PHE A 101 8.088 8.448 -11.930 1.00 45.42 H new ATOM 0 HB2 PHE A 101 9.338 6.368 -13.744 1.00 64.04 H new ATOM 0 HB3 PHE A 101 9.902 8.027 -13.753 1.00 64.04 H new ATOM 0 HD1 PHE A 101 9.870 8.834 -10.973 1.00 34.14 H new ATOM 0 HD2 PHE A 101 10.910 5.060 -12.654 1.00 23.12 H new ATOM 0 HE1 PHE A 101 11.289 8.359 -9.024 1.00 43.14 H new ATOM 0 HE2 PHE A 101 12.331 4.583 -10.707 1.00 40.50 H new ATOM 0 HZ PHE A 101 12.530 6.235 -8.892 1.00 13.23 H new ATOM 675 N GLY A 102 6.593 9.501 -13.653 1.00 62.21 N ATOM 676 CA GLY A 102 5.938 10.258 -14.703 1.00 42.43 C ATOM 677 C GLY A 102 4.932 9.428 -15.476 1.00 4.30 C ATOM 678 O GLY A 102 3.864 9.099 -14.962 1.00 41.43 O ATOM 0 H GLY A 102 6.396 9.823 -12.706 1.00 62.21 H new ATOM 0 HA2 GLY A 102 5.434 11.119 -14.265 1.00 42.43 H new ATOM 0 HA3 GLY A 102 6.690 10.645 -15.391 1.00 42.43 H new ATOM 682 N ASN A 103 5.274 9.090 -16.715 1.00 51.11 N ATOM 683 CA ASN A 103 4.391 8.295 -17.561 1.00 42.12 C ATOM 684 C ASN A 103 4.960 6.896 -17.778 1.00 1.21 C ATOM 685 O ASN A 103 4.653 6.237 -18.771 1.00 72.12 O ATOM 686 CB ASN A 103 4.183 8.988 -18.910 1.00 31.35 C ATOM 687 CG ASN A 103 2.909 9.809 -18.947 1.00 11.54 C ATOM 688 OD1 ASN A 103 1.955 9.530 -18.220 1.00 63.10 O ATOM 689 ND2 ASN A 103 2.888 10.830 -19.796 1.00 73.34 N ATOM 0 H ASN A 103 6.155 9.354 -17.155 1.00 51.11 H new ATOM 0 HA ASN A 103 3.430 8.203 -17.055 1.00 42.12 H new ATOM 0 HB2 ASN A 103 5.035 9.635 -19.118 1.00 31.35 H new ATOM 0 HB3 ASN A 103 4.152 8.238 -19.700 1.00 31.35 H new ATOM 0 HD21 ASN A 103 2.058 11.419 -19.864 1.00 73.34 H new ATOM 0 HD22 ASN A 103 3.702 11.025 -20.380 1.00 73.34 H new ATOM 696 N ASP A 104 5.790 6.450 -16.842 1.00 21.43 N ATOM 697 CA ASP A 104 6.401 5.128 -16.929 1.00 1.33 C ATOM 698 C ASP A 104 6.534 4.499 -15.546 1.00 34.25 C ATOM 699 O ASP A 104 6.951 5.154 -14.591 1.00 2.51 O ATOM 700 CB ASP A 104 7.775 5.221 -17.594 1.00 40.13 C ATOM 701 CG ASP A 104 7.719 5.907 -18.945 1.00 11.30 C ATOM 702 OD1 ASP A 104 7.058 5.368 -19.857 1.00 11.22 O ATOM 703 OD2 ASP A 104 8.337 6.983 -19.090 1.00 53.15 O ATOM 0 H ASP A 104 6.055 6.984 -16.014 1.00 21.43 H new ATOM 0 HA ASP A 104 5.754 4.495 -17.536 1.00 1.33 H new ATOM 0 HB2 ASP A 104 8.456 5.767 -16.941 1.00 40.13 H new ATOM 0 HB3 ASP A 104 8.185 4.218 -17.716 1.00 40.13 H new ATOM 708 N VAL A 105 6.174 3.223 -15.445 1.00 1.04 N ATOM 709 CA VAL A 105 6.253 2.504 -14.178 1.00 52.53 C ATOM 710 C VAL A 105 7.482 1.604 -14.133 1.00 2.22 C ATOM 711 O VAL A 105 7.482 0.509 -14.693 1.00 72.43 O ATOM 712 CB VAL A 105 4.994 1.649 -13.939 1.00 64.04 C ATOM 713 CG1 VAL A 105 5.081 0.934 -12.600 1.00 1.14 C ATOM 714 CG2 VAL A 105 3.743 2.511 -14.013 1.00 70.43 C ATOM 0 H VAL A 105 5.825 2.666 -16.225 1.00 1.04 H new ATOM 0 HA VAL A 105 6.328 3.255 -13.391 1.00 52.53 H new ATOM 0 HB VAL A 105 4.934 0.894 -14.723 1.00 64.04 H new ATOM 0 HG11 VAL A 105 4.183 0.335 -12.448 1.00 1.14 H new ATOM 0 HG12 VAL A 105 5.956 0.285 -12.591 1.00 1.14 H new ATOM 0 HG13 VAL A 105 5.166 1.669 -11.800 1.00 1.14 H new ATOM 0 HG21 VAL A 105 2.863 1.891 -13.842 1.00 70.43 H new ATOM 0 HG22 VAL A 105 3.792 3.289 -13.252 1.00 70.43 H new ATOM 0 HG23 VAL A 105 3.676 2.971 -14.999 1.00 70.43 H new ATOM 724 N GLN A 106 8.528 2.074 -13.461 1.00 45.23 N ATOM 725 CA GLN A 106 9.765 1.311 -13.343 1.00 22.11 C ATOM 726 C GLN A 106 9.687 0.325 -12.182 1.00 4.13 C ATOM 727 O GLN A 106 8.725 0.330 -11.413 1.00 4.11 O ATOM 728 CB GLN A 106 10.954 2.253 -13.149 1.00 3.24 C ATOM 729 CG GLN A 106 11.114 3.270 -14.267 1.00 50.03 C ATOM 730 CD GLN A 106 11.135 2.628 -15.641 1.00 14.34 C ATOM 731 OE1 GLN A 106 11.378 1.429 -15.774 1.00 71.44 O ATOM 732 NE2 GLN A 106 10.878 3.426 -16.671 1.00 24.21 N ATOM 0 H GLN A 106 8.544 2.979 -12.990 1.00 45.23 H new ATOM 0 HA GLN A 106 9.904 0.748 -14.266 1.00 22.11 H new ATOM 0 HB2 GLN A 106 10.838 2.781 -12.203 1.00 3.24 H new ATOM 0 HB3 GLN A 106 11.867 1.662 -13.074 1.00 3.24 H new ATOM 0 HG2 GLN A 106 10.296 3.989 -14.219 1.00 50.03 H new ATOM 0 HG3 GLN A 106 12.038 3.828 -14.116 1.00 50.03 H new ATOM 0 HE21 GLN A 106 10.682 4.415 -16.514 1.00 24.21 H new ATOM 0 HE22 GLN A 106 10.877 3.050 -17.619 1.00 24.21 H new ATOM 741 N HIS A 107 10.706 -0.520 -12.060 1.00 60.33 N ATOM 742 CA HIS A 107 10.753 -1.512 -10.992 1.00 71.41 C ATOM 743 C HIS A 107 12.194 -1.890 -10.664 1.00 64.13 C ATOM 744 O HIS A 107 13.120 -1.543 -11.398 1.00 1.51 O ATOM 745 CB HIS A 107 9.965 -2.760 -11.391 1.00 73.24 C ATOM 746 CG HIS A 107 10.234 -3.216 -12.792 1.00 50.04 C ATOM 747 ND1 HIS A 107 9.467 -4.164 -13.436 1.00 52.10 N ATOM 748 CD2 HIS A 107 11.192 -2.847 -13.675 1.00 11.03 C ATOM 749 CE1 HIS A 107 9.942 -4.360 -14.653 1.00 2.40 C ATOM 750 NE2 HIS A 107 10.989 -3.572 -14.823 1.00 71.11 N ATOM 0 H HIS A 107 11.510 -0.537 -12.687 1.00 60.33 H new ATOM 0 HA HIS A 107 10.300 -1.074 -10.103 1.00 71.41 H new ATOM 0 HB2 HIS A 107 10.208 -3.569 -10.702 1.00 73.24 H new ATOM 0 HB3 HIS A 107 8.900 -2.557 -11.282 1.00 73.24 H new ATOM 0 HD2 HIS A 107 11.971 -2.118 -13.507 1.00 11.03 H new ATOM 0 HE1 HIS A 107 9.543 -5.047 -15.384 1.00 2.40 H new ATOM 0 HE2 HIS A 107 11.555 -3.512 -15.670 1.00 71.11 H new ATOM 758 N PHE A 108 12.377 -2.603 -9.558 1.00 2.33 N ATOM 759 CA PHE A 108 13.706 -3.026 -9.132 1.00 1.13 C ATOM 760 C PHE A 108 13.666 -4.432 -8.541 1.00 34.23 C ATOM 761 O PHE A 108 12.965 -4.687 -7.560 1.00 44.54 O ATOM 762 CB PHE A 108 14.272 -2.044 -8.103 1.00 71.43 C ATOM 763 CG PHE A 108 14.491 -0.663 -8.650 1.00 52.15 C ATOM 764 CD1 PHE A 108 13.422 0.197 -8.844 1.00 1.41 C ATOM 765 CD2 PHE A 108 15.765 -0.225 -8.972 1.00 4.31 C ATOM 766 CE1 PHE A 108 13.620 1.470 -9.347 1.00 21.41 C ATOM 767 CE2 PHE A 108 15.970 1.046 -9.475 1.00 14.33 C ATOM 768 CZ PHE A 108 14.896 1.894 -9.664 1.00 14.14 C ATOM 0 H PHE A 108 11.622 -2.900 -8.940 1.00 2.33 H new ATOM 0 HA PHE A 108 14.354 -3.037 -10.008 1.00 1.13 H new ATOM 0 HB2 PHE A 108 13.590 -1.986 -7.255 1.00 71.43 H new ATOM 0 HB3 PHE A 108 15.219 -2.431 -7.726 1.00 71.43 H new ATOM 0 HD1 PHE A 108 12.422 -0.131 -8.600 1.00 1.41 H new ATOM 0 HD2 PHE A 108 16.608 -0.884 -8.828 1.00 4.31 H new ATOM 0 HE1 PHE A 108 12.779 2.131 -9.492 1.00 21.41 H new ATOM 0 HE2 PHE A 108 16.969 1.376 -9.720 1.00 14.33 H new ATOM 0 HZ PHE A 108 15.054 2.887 -10.059 1.00 14.14 H new ATOM 778 N LYS A 109 14.421 -5.343 -9.145 1.00 22.15 N ATOM 779 CA LYS A 109 14.474 -6.724 -8.680 1.00 30.12 C ATOM 780 C LYS A 109 15.182 -6.818 -7.332 1.00 45.02 C ATOM 781 O LYS A 109 16.368 -6.505 -7.220 1.00 12.04 O ATOM 782 CB LYS A 109 15.191 -7.603 -9.707 1.00 42.43 C ATOM 783 CG LYS A 109 14.247 -8.370 -10.616 1.00 72.30 C ATOM 784 CD LYS A 109 14.189 -9.842 -10.244 1.00 72.42 C ATOM 785 CE LYS A 109 15.418 -10.591 -10.737 1.00 11.30 C ATOM 786 NZ LYS A 109 15.053 -11.753 -11.594 1.00 43.41 N ATOM 0 H LYS A 109 15.005 -5.150 -9.958 1.00 22.15 H new ATOM 0 HA LYS A 109 13.451 -7.079 -8.558 1.00 30.12 H new ATOM 0 HB2 LYS A 109 15.841 -6.977 -10.318 1.00 42.43 H new ATOM 0 HB3 LYS A 109 15.832 -8.311 -9.182 1.00 42.43 H new ATOM 0 HG2 LYS A 109 13.248 -7.938 -10.553 1.00 72.30 H new ATOM 0 HG3 LYS A 109 14.574 -8.268 -11.651 1.00 72.30 H new ATOM 0 HD2 LYS A 109 14.111 -9.942 -9.161 1.00 72.42 H new ATOM 0 HD3 LYS A 109 13.292 -10.291 -10.671 1.00 72.42 H new ATOM 0 HE2 LYS A 109 16.056 -9.910 -11.301 1.00 11.30 H new ATOM 0 HE3 LYS A 109 15.999 -10.938 -9.882 1.00 11.30 H new ATOM 0 HZ1 LYS A 109 15.918 -12.237 -11.910 1.00 43.41 H new ATOM 0 HZ2 LYS A 109 14.465 -12.415 -11.049 1.00 43.41 H new ATOM 0 HZ3 LYS A 109 14.521 -11.419 -12.423 1.00 43.41 H new ATOM 800 N VAL A 110 14.449 -7.252 -6.312 1.00 62.31 N ATOM 801 CA VAL A 110 15.008 -7.390 -4.973 1.00 3.14 C ATOM 802 C VAL A 110 15.938 -8.595 -4.886 1.00 42.14 C ATOM 803 O VAL A 110 15.642 -9.662 -5.426 1.00 52.31 O ATOM 804 CB VAL A 110 13.899 -7.534 -3.914 1.00 22.54 C ATOM 805 CG1 VAL A 110 14.492 -7.933 -2.571 1.00 33.43 C ATOM 806 CG2 VAL A 110 13.107 -6.242 -3.793 1.00 14.30 C ATOM 0 H VAL A 110 13.466 -7.514 -6.388 1.00 62.31 H new ATOM 0 HA VAL A 110 15.576 -6.482 -4.773 1.00 3.14 H new ATOM 0 HB VAL A 110 13.217 -8.323 -4.232 1.00 22.54 H new ATOM 0 HG11 VAL A 110 13.694 -8.030 -1.835 1.00 33.43 H new ATOM 0 HG12 VAL A 110 15.011 -8.886 -2.671 1.00 33.43 H new ATOM 0 HG13 VAL A 110 15.197 -7.169 -2.243 1.00 33.43 H new ATOM 0 HG21 VAL A 110 12.328 -6.362 -3.040 1.00 14.30 H new ATOM 0 HG22 VAL A 110 13.775 -5.432 -3.498 1.00 14.30 H new ATOM 0 HG23 VAL A 110 12.650 -6.004 -4.754 1.00 14.30 H new ATOM 816 N LEU A 111 17.064 -8.418 -4.204 1.00 63.51 N ATOM 817 CA LEU A 111 18.039 -9.492 -4.046 1.00 22.01 C ATOM 818 C LEU A 111 17.972 -10.087 -2.643 1.00 14.31 C ATOM 819 O LEU A 111 17.887 -9.359 -1.653 1.00 75.42 O ATOM 820 CB LEU A 111 19.450 -8.971 -4.324 1.00 24.11 C ATOM 821 CG LEU A 111 20.116 -9.484 -5.602 1.00 15.13 C ATOM 822 CD1 LEU A 111 19.636 -8.692 -6.808 1.00 54.11 C ATOM 823 CD2 LEU A 111 21.631 -9.410 -5.481 1.00 54.30 C ATOM 0 H LEU A 111 17.325 -7.542 -3.752 1.00 63.51 H new ATOM 0 HA LEU A 111 17.799 -10.276 -4.765 1.00 22.01 H new ATOM 0 HB2 LEU A 111 19.411 -7.883 -4.370 1.00 24.11 H new ATOM 0 HB3 LEU A 111 20.085 -9.232 -3.477 1.00 24.11 H new ATOM 0 HG LEU A 111 19.834 -10.527 -5.743 1.00 15.13 H new ATOM 0 HD11 LEU A 111 20.120 -9.071 -7.708 1.00 54.11 H new ATOM 0 HD12 LEU A 111 18.555 -8.797 -6.906 1.00 54.11 H new ATOM 0 HD13 LEU A 111 19.888 -7.640 -6.676 1.00 54.11 H new ATOM 0 HD21 LEU A 111 22.088 -9.779 -6.399 1.00 54.30 H new ATOM 0 HD22 LEU A 111 21.933 -8.376 -5.316 1.00 54.30 H new ATOM 0 HD23 LEU A 111 21.959 -10.022 -4.641 1.00 54.30 H new ATOM 835 N ARG A 112 18.012 -11.413 -2.565 1.00 41.23 N ATOM 836 CA ARG A 112 17.956 -12.105 -1.283 1.00 64.14 C ATOM 837 C ARG A 112 19.191 -12.980 -1.084 1.00 75.11 C ATOM 838 O ARG A 112 20.009 -13.132 -1.991 1.00 70.31 O ATOM 839 CB ARG A 112 16.692 -12.961 -1.197 1.00 34.34 C ATOM 840 CG ARG A 112 15.405 -12.160 -1.304 1.00 52.50 C ATOM 841 CD ARG A 112 14.665 -12.464 -2.597 1.00 72.40 C ATOM 842 NE ARG A 112 15.427 -12.054 -3.774 1.00 33.15 N ATOM 843 CZ ARG A 112 16.162 -12.888 -4.501 1.00 34.23 C ATOM 844 NH1 ARG A 112 16.233 -14.171 -4.174 1.00 21.11 N ATOM 845 NH2 ARG A 112 16.826 -12.439 -5.558 1.00 25.33 N ATOM 0 H ARG A 112 18.083 -12.030 -3.374 1.00 41.23 H new ATOM 0 HA ARG A 112 17.932 -11.354 -0.493 1.00 64.14 H new ATOM 0 HB2 ARG A 112 16.713 -13.706 -1.992 1.00 34.34 H new ATOM 0 HB3 ARG A 112 16.695 -13.504 -0.252 1.00 34.34 H new ATOM 0 HG2 ARG A 112 14.762 -12.387 -0.454 1.00 52.50 H new ATOM 0 HG3 ARG A 112 15.633 -11.095 -1.256 1.00 52.50 H new ATOM 0 HD2 ARG A 112 14.458 -13.533 -2.653 1.00 72.40 H new ATOM 0 HD3 ARG A 112 13.702 -11.953 -2.592 1.00 72.40 H new ATOM 0 HE ARG A 112 15.393 -11.073 -4.053 1.00 33.15 H new ATOM 0 HH11 ARG A 112 15.723 -14.520 -3.363 1.00 21.11 H new ATOM 0 HH12 ARG A 112 16.798 -14.809 -4.734 1.00 21.11 H new ATOM 0 HH21 ARG A 112 16.772 -11.453 -5.813 1.00 25.33 H new ATOM 0 HH22 ARG A 112 17.390 -13.080 -6.116 1.00 25.33 H new ATOM 859 N ASP A 113 19.317 -13.552 0.108 1.00 23.02 N ATOM 860 CA ASP A 113 20.451 -14.412 0.427 1.00 60.21 C ATOM 861 C ASP A 113 19.991 -15.843 0.690 1.00 13.42 C ATOM 862 O ASP A 113 18.795 -16.133 0.678 1.00 63.14 O ATOM 863 CB ASP A 113 21.202 -13.872 1.645 1.00 34.32 C ATOM 864 CG ASP A 113 22.668 -13.619 1.356 1.00 0.32 C ATOM 865 OD1 ASP A 113 22.996 -12.514 0.874 1.00 73.12 O ATOM 866 OD2 ASP A 113 23.488 -14.524 1.613 1.00 22.42 O ATOM 0 H ASP A 113 18.648 -13.436 0.869 1.00 23.02 H new ATOM 0 HA ASP A 113 21.123 -14.418 -0.431 1.00 60.21 H new ATOM 0 HB2 ASP A 113 20.734 -12.944 1.975 1.00 34.32 H new ATOM 0 HB3 ASP A 113 21.114 -14.583 2.467 1.00 34.32 H new ATOM 871 N GLY A 114 20.949 -16.733 0.928 1.00 70.32 N ATOM 872 CA GLY A 114 20.622 -18.123 1.189 1.00 10.24 C ATOM 873 C GLY A 114 20.242 -18.366 2.636 1.00 30.44 C ATOM 874 O GLY A 114 20.366 -19.483 3.138 1.00 74.41 O ATOM 0 H GLY A 114 21.946 -16.517 0.945 1.00 70.32 H new ATOM 0 HA2 GLY A 114 19.798 -18.427 0.544 1.00 10.24 H new ATOM 0 HA3 GLY A 114 21.476 -18.749 0.931 1.00 10.24 H new ATOM 878 N ALA A 115 19.780 -17.318 3.310 1.00 74.13 N ATOM 879 CA ALA A 115 19.380 -17.424 4.708 1.00 43.44 C ATOM 880 C ALA A 115 17.978 -16.863 4.922 1.00 63.22 C ATOM 881 O ALA A 115 17.199 -17.398 5.709 1.00 71.40 O ATOM 882 CB ALA A 115 20.381 -16.702 5.598 1.00 31.23 C ATOM 0 H ALA A 115 19.673 -16.386 2.910 1.00 74.13 H new ATOM 0 HA ALA A 115 19.365 -18.480 4.978 1.00 43.44 H new ATOM 0 HB1 ALA A 115 20.071 -16.789 6.639 1.00 31.23 H new ATOM 0 HB2 ALA A 115 21.367 -17.150 5.475 1.00 31.23 H new ATOM 0 HB3 ALA A 115 20.423 -15.649 5.318 1.00 31.23 H new ATOM 888 N GLY A 116 17.664 -15.781 4.216 1.00 1.00 N ATOM 889 CA GLY A 116 16.356 -15.166 4.344 1.00 1.33 C ATOM 890 C GLY A 116 16.439 -13.672 4.586 1.00 4.34 C ATOM 891 O GLY A 116 15.636 -13.110 5.331 1.00 53.43 O ATOM 0 H GLY A 116 18.292 -15.320 3.558 1.00 1.00 H new ATOM 0 HA2 GLY A 116 15.780 -15.353 3.438 1.00 1.33 H new ATOM 0 HA3 GLY A 116 15.816 -15.635 5.167 1.00 1.33 H new ATOM 895 N LYS A 117 17.415 -13.026 3.958 1.00 45.43 N ATOM 896 CA LYS A 117 17.602 -11.587 4.108 1.00 65.40 C ATOM 897 C LYS A 117 17.369 -10.867 2.784 1.00 62.12 C ATOM 898 O LYS A 117 17.430 -11.476 1.716 1.00 70.34 O ATOM 899 CB LYS A 117 19.012 -11.287 4.623 1.00 51.41 C ATOM 900 CG LYS A 117 19.297 -11.875 5.994 1.00 61.23 C ATOM 901 CD LYS A 117 20.023 -10.883 6.887 1.00 50.14 C ATOM 902 CE LYS A 117 21.515 -10.858 6.594 1.00 24.24 C ATOM 903 NZ LYS A 117 22.091 -9.495 6.761 1.00 52.11 N ATOM 0 H LYS A 117 18.090 -13.476 3.340 1.00 45.43 H new ATOM 0 HA LYS A 117 16.872 -11.224 4.832 1.00 65.40 H new ATOM 0 HB2 LYS A 117 19.740 -11.677 3.911 1.00 51.41 H new ATOM 0 HB3 LYS A 117 19.153 -10.207 4.664 1.00 51.41 H new ATOM 0 HG2 LYS A 117 18.360 -12.172 6.465 1.00 61.23 H new ATOM 0 HG3 LYS A 117 19.899 -12.777 5.886 1.00 61.23 H new ATOM 0 HD2 LYS A 117 19.606 -9.887 6.741 1.00 50.14 H new ATOM 0 HD3 LYS A 117 19.861 -11.146 7.932 1.00 50.14 H new ATOM 0 HE2 LYS A 117 22.027 -11.553 7.260 1.00 24.24 H new ATOM 0 HE3 LYS A 117 21.691 -11.204 5.575 1.00 24.24 H new ATOM 0 HZ1 LYS A 117 23.109 -9.521 6.552 1.00 52.11 H new ATOM 0 HZ2 LYS A 117 21.620 -8.837 6.108 1.00 52.11 H new ATOM 0 HZ3 LYS A 117 21.946 -9.174 7.740 1.00 52.11 H new ATOM 917 N TYR A 118 17.104 -9.568 2.861 1.00 13.12 N ATOM 918 CA TYR A 118 16.861 -8.765 1.669 1.00 75.14 C ATOM 919 C TYR A 118 17.894 -7.650 1.543 1.00 53.43 C ATOM 920 O TYR A 118 18.458 -7.195 2.538 1.00 65.31 O ATOM 921 CB TYR A 118 15.452 -8.169 1.708 1.00 64.01 C ATOM 922 CG TYR A 118 14.373 -9.184 2.009 1.00 22.31 C ATOM 923 CD1 TYR A 118 13.908 -10.046 1.023 1.00 24.22 C ATOM 924 CD2 TYR A 118 13.818 -9.281 3.279 1.00 72.31 C ATOM 925 CE1 TYR A 118 12.922 -10.975 1.294 1.00 61.15 C ATOM 926 CE2 TYR A 118 12.832 -10.208 3.559 1.00 63.04 C ATOM 927 CZ TYR A 118 12.388 -11.052 2.563 1.00 74.43 C ATOM 928 OH TYR A 118 11.405 -11.976 2.837 1.00 40.11 O ATOM 0 H TYR A 118 17.052 -9.048 3.737 1.00 13.12 H new ATOM 0 HA TYR A 118 16.949 -9.416 0.799 1.00 75.14 H new ATOM 0 HB2 TYR A 118 15.420 -7.383 2.462 1.00 64.01 H new ATOM 0 HB3 TYR A 118 15.239 -7.699 0.748 1.00 64.01 H new ATOM 0 HD1 TYR A 118 14.324 -9.989 0.028 1.00 24.22 H new ATOM 0 HD2 TYR A 118 14.163 -8.621 4.061 1.00 72.31 H new ATOM 0 HE1 TYR A 118 12.571 -11.637 0.516 1.00 61.15 H new ATOM 0 HE2 TYR A 118 12.412 -10.271 4.552 1.00 63.04 H new ATOM 0 HH TYR A 118 11.138 -11.900 3.777 1.00 40.11 H new ATOM 938 N PHE A 119 18.135 -7.212 0.311 1.00 25.34 N ATOM 939 CA PHE A 119 19.101 -6.150 0.053 1.00 34.11 C ATOM 940 C PHE A 119 18.986 -5.648 -1.383 1.00 71.54 C ATOM 941 O PHE A 119 18.439 -6.332 -2.250 1.00 52.21 O ATOM 942 CB PHE A 119 20.523 -6.648 0.319 1.00 34.32 C ATOM 943 CG PHE A 119 20.660 -8.142 0.236 1.00 11.31 C ATOM 944 CD1 PHE A 119 20.284 -8.823 -0.911 1.00 3.54 C ATOM 945 CD2 PHE A 119 21.164 -8.865 1.305 1.00 2.22 C ATOM 946 CE1 PHE A 119 20.410 -10.197 -0.990 1.00 53.25 C ATOM 947 CE2 PHE A 119 21.292 -10.239 1.231 1.00 42.11 C ATOM 948 CZ PHE A 119 20.913 -10.906 0.082 1.00 4.23 C ATOM 0 H PHE A 119 17.675 -7.576 -0.524 1.00 25.34 H new ATOM 0 HA PHE A 119 18.882 -5.322 0.728 1.00 34.11 H new ATOM 0 HB2 PHE A 119 21.201 -6.188 -0.400 1.00 34.32 H new ATOM 0 HB3 PHE A 119 20.836 -6.317 1.309 1.00 34.32 H new ATOM 0 HD1 PHE A 119 19.888 -8.274 -1.752 1.00 3.54 H new ATOM 0 HD2 PHE A 119 21.460 -8.349 2.206 1.00 2.22 H new ATOM 0 HE1 PHE A 119 20.115 -10.716 -1.890 1.00 53.25 H new ATOM 0 HE2 PHE A 119 21.688 -10.791 2.071 1.00 42.11 H new ATOM 0 HZ PHE A 119 21.010 -11.980 0.023 1.00 4.23 H new ATOM 958 N LEU A 120 19.505 -4.450 -1.628 1.00 72.44 N ATOM 959 CA LEU A 120 19.461 -3.855 -2.960 1.00 31.24 C ATOM 960 C LEU A 120 20.620 -2.885 -3.161 1.00 4.23 C ATOM 961 O LEU A 120 20.927 -2.078 -2.283 1.00 21.55 O ATOM 962 CB LEU A 120 18.131 -3.130 -3.172 1.00 1.21 C ATOM 963 CG LEU A 120 17.125 -3.827 -4.088 1.00 33.33 C ATOM 964 CD1 LEU A 120 15.782 -3.978 -3.389 1.00 25.42 C ATOM 965 CD2 LEU A 120 16.966 -3.057 -5.390 1.00 60.15 C ATOM 0 H LEU A 120 19.961 -3.871 -0.923 1.00 72.44 H new ATOM 0 HA LEU A 120 19.551 -4.657 -3.693 1.00 31.24 H new ATOM 0 HB2 LEU A 120 17.663 -2.980 -2.199 1.00 1.21 H new ATOM 0 HB3 LEU A 120 18.340 -2.142 -3.581 1.00 1.21 H new ATOM 0 HG LEU A 120 17.504 -4.822 -4.322 1.00 33.33 H new ATOM 0 HD11 LEU A 120 15.079 -4.476 -4.056 1.00 25.42 H new ATOM 0 HD12 LEU A 120 15.908 -4.573 -2.484 1.00 25.42 H new ATOM 0 HD13 LEU A 120 15.396 -2.993 -3.125 1.00 25.42 H new ATOM 0 HD21 LEU A 120 16.246 -3.568 -6.029 1.00 60.15 H new ATOM 0 HD22 LEU A 120 16.610 -2.049 -5.176 1.00 60.15 H new ATOM 0 HD23 LEU A 120 17.928 -3.001 -5.899 1.00 60.15 H new ATOM 977 N TRP A 121 21.259 -2.967 -4.322 1.00 61.21 N ATOM 978 CA TRP A 121 22.384 -2.094 -4.639 1.00 73.43 C ATOM 979 C TRP A 121 23.534 -2.311 -3.662 1.00 72.41 C ATOM 980 O TRP A 121 24.527 -2.960 -3.991 1.00 43.45 O ATOM 981 CB TRP A 121 21.943 -0.630 -4.611 1.00 2.15 C ATOM 982 CG TRP A 121 20.961 -0.284 -5.688 1.00 51.23 C ATOM 983 CD1 TRP A 121 19.688 0.182 -5.519 1.00 3.04 C ATOM 984 CD2 TRP A 121 21.171 -0.378 -7.101 1.00 74.34 C ATOM 985 NE1 TRP A 121 19.094 0.383 -6.741 1.00 63.23 N ATOM 986 CE2 TRP A 121 19.983 0.047 -7.728 1.00 50.42 C ATOM 987 CE3 TRP A 121 22.246 -0.779 -7.898 1.00 43.13 C ATOM 988 CZ2 TRP A 121 19.844 0.082 -9.113 1.00 75.41 C ATOM 989 CZ3 TRP A 121 22.106 -0.745 -9.273 1.00 2.33 C ATOM 990 CH2 TRP A 121 20.913 -0.316 -9.869 1.00 33.31 C ATOM 0 H TRP A 121 21.018 -3.629 -5.060 1.00 61.21 H new ATOM 0 HA TRP A 121 22.733 -2.342 -5.641 1.00 73.43 H new ATOM 0 HB2 TRP A 121 21.499 -0.411 -3.640 1.00 2.15 H new ATOM 0 HB3 TRP A 121 22.821 0.008 -4.711 1.00 2.15 H new ATOM 0 HD1 TRP A 121 19.218 0.365 -4.564 1.00 3.04 H new ATOM 0 HE1 TRP A 121 18.145 0.727 -6.890 1.00 63.23 H new ATOM 0 HE3 TRP A 121 23.170 -1.110 -7.448 1.00 43.13 H new ATOM 0 HZ2 TRP A 121 18.925 0.412 -9.574 1.00 75.41 H new ATOM 0 HZ3 TRP A 121 22.930 -1.054 -9.898 1.00 2.33 H new ATOM 0 HH2 TRP A 121 20.835 -0.299 -10.946 1.00 33.31 H new ATOM 1001 N VAL A 122 23.393 -1.766 -2.458 1.00 50.53 N ATOM 1002 CA VAL A 122 24.420 -1.901 -1.432 1.00 62.15 C ATOM 1003 C VAL A 122 23.799 -2.119 -0.058 1.00 34.43 C ATOM 1004 O VAL A 122 24.194 -3.024 0.678 1.00 73.12 O ATOM 1005 CB VAL A 122 25.330 -0.659 -1.381 1.00 55.12 C ATOM 1006 CG1 VAL A 122 26.450 -0.775 -2.403 1.00 41.23 C ATOM 1007 CG2 VAL A 122 24.516 0.606 -1.611 1.00 3.04 C ATOM 0 H VAL A 122 22.577 -1.227 -2.169 1.00 50.53 H new ATOM 0 HA VAL A 122 25.020 -2.771 -1.698 1.00 62.15 H new ATOM 0 HB VAL A 122 25.780 -0.600 -0.390 1.00 55.12 H new ATOM 0 HG11 VAL A 122 27.082 0.111 -2.352 1.00 41.23 H new ATOM 0 HG12 VAL A 122 27.048 -1.660 -2.188 1.00 41.23 H new ATOM 0 HG13 VAL A 122 26.023 -0.859 -3.402 1.00 41.23 H new ATOM 0 HG21 VAL A 122 25.174 1.474 -1.572 1.00 3.04 H new ATOM 0 HG22 VAL A 122 24.037 0.558 -2.589 1.00 3.04 H new ATOM 0 HG23 VAL A 122 23.753 0.694 -0.837 1.00 3.04 H new ATOM 1017 N VAL A 123 22.822 -1.284 0.284 1.00 62.34 N ATOM 1018 CA VAL A 123 22.144 -1.387 1.570 1.00 13.51 C ATOM 1019 C VAL A 123 21.731 -2.825 1.861 1.00 70.01 C ATOM 1020 O VAL A 123 21.521 -3.620 0.945 1.00 62.24 O ATOM 1021 CB VAL A 123 20.895 -0.486 1.619 1.00 1.12 C ATOM 1022 CG1 VAL A 123 19.800 -1.041 0.721 1.00 22.43 C ATOM 1023 CG2 VAL A 123 20.400 -0.340 3.050 1.00 32.11 C ATOM 0 H VAL A 123 22.483 -0.529 -0.312 1.00 62.34 H new ATOM 0 HA VAL A 123 22.853 -1.056 2.329 1.00 13.51 H new ATOM 0 HB VAL A 123 21.167 0.503 1.250 1.00 1.12 H new ATOM 0 HG11 VAL A 123 18.926 -0.391 0.769 1.00 22.43 H new ATOM 0 HG12 VAL A 123 20.161 -1.088 -0.306 1.00 22.43 H new ATOM 0 HG13 VAL A 123 19.527 -2.042 1.056 1.00 22.43 H new ATOM 0 HG21 VAL A 123 19.517 0.299 3.066 1.00 32.11 H new ATOM 0 HG22 VAL A 123 20.144 -1.322 3.448 1.00 32.11 H new ATOM 0 HG23 VAL A 123 21.183 0.107 3.662 1.00 32.11 H new ATOM 1033 N LYS A 124 21.615 -3.154 3.143 1.00 4.21 N ATOM 1034 CA LYS A 124 21.226 -4.496 3.557 1.00 33.41 C ATOM 1035 C LYS A 124 20.317 -4.446 4.781 1.00 20.12 C ATOM 1036 O LYS A 124 20.518 -3.633 5.683 1.00 4.41 O ATOM 1037 CB LYS A 124 22.467 -5.338 3.864 1.00 15.01 C ATOM 1038 CG LYS A 124 23.480 -5.362 2.733 1.00 30.40 C ATOM 1039 CD LYS A 124 24.799 -5.971 3.179 1.00 72.30 C ATOM 1040 CE LYS A 124 25.871 -4.908 3.359 1.00 42.32 C ATOM 1041 NZ LYS A 124 26.561 -4.594 2.077 1.00 1.51 N ATOM 0 H LYS A 124 21.785 -2.508 3.914 1.00 4.21 H new ATOM 0 HA LYS A 124 20.676 -4.957 2.736 1.00 33.41 H new ATOM 0 HB2 LYS A 124 22.947 -4.949 4.762 1.00 15.01 H new ATOM 0 HB3 LYS A 124 22.157 -6.359 4.085 1.00 15.01 H new ATOM 0 HG2 LYS A 124 23.079 -5.934 1.896 1.00 30.40 H new ATOM 0 HG3 LYS A 124 23.650 -4.347 2.374 1.00 30.40 H new ATOM 0 HD2 LYS A 124 24.655 -6.506 4.117 1.00 72.30 H new ATOM 0 HD3 LYS A 124 25.131 -6.703 2.442 1.00 72.30 H new ATOM 0 HE2 LYS A 124 25.419 -4.001 3.760 1.00 42.32 H new ATOM 0 HE3 LYS A 124 26.603 -5.250 4.091 1.00 42.32 H new ATOM 0 HZ1 LYS A 124 27.400 -4.011 2.268 1.00 1.51 H new ATOM 0 HZ2 LYS A 124 26.852 -5.478 1.614 1.00 1.51 H new ATOM 0 HZ3 LYS A 124 25.913 -4.073 1.452 1.00 1.51 H new ATOM 1055 N PHE A 125 19.318 -5.321 4.807 1.00 75.51 N ATOM 1056 CA PHE A 125 18.378 -5.377 5.921 1.00 42.10 C ATOM 1057 C PHE A 125 17.784 -6.775 6.063 1.00 62.35 C ATOM 1058 O PHE A 125 17.999 -7.641 5.215 1.00 23.15 O ATOM 1059 CB PHE A 125 17.259 -4.353 5.723 1.00 12.34 C ATOM 1060 CG PHE A 125 17.734 -2.929 5.772 1.00 51.44 C ATOM 1061 CD1 PHE A 125 18.531 -2.485 6.815 1.00 70.33 C ATOM 1062 CD2 PHE A 125 17.384 -2.033 4.774 1.00 60.43 C ATOM 1063 CE1 PHE A 125 18.969 -1.175 6.862 1.00 73.32 C ATOM 1064 CE2 PHE A 125 17.819 -0.722 4.815 1.00 22.12 C ATOM 1065 CZ PHE A 125 18.614 -0.293 5.860 1.00 15.13 C ATOM 0 H PHE A 125 19.138 -6.002 4.069 1.00 75.51 H new ATOM 0 HA PHE A 125 18.922 -5.139 6.835 1.00 42.10 H new ATOM 0 HB2 PHE A 125 16.778 -4.534 4.762 1.00 12.34 H new ATOM 0 HB3 PHE A 125 16.501 -4.502 6.492 1.00 12.34 H new ATOM 0 HD1 PHE A 125 18.813 -3.171 7.600 1.00 70.33 H new ATOM 0 HD2 PHE A 125 16.764 -2.364 3.954 1.00 60.43 H new ATOM 0 HE1 PHE A 125 19.588 -0.841 7.681 1.00 73.32 H new ATOM 0 HE2 PHE A 125 17.538 -0.034 4.031 1.00 22.12 H new ATOM 0 HZ PHE A 125 18.957 0.730 5.894 1.00 15.13 H new ATOM 1075 N ASN A 126 17.036 -6.988 7.140 1.00 1.44 N ATOM 1076 CA ASN A 126 16.412 -8.281 7.395 1.00 55.33 C ATOM 1077 C ASN A 126 14.984 -8.311 6.856 1.00 3.33 C ATOM 1078 O ASN A 126 14.559 -9.295 6.251 1.00 12.42 O ATOM 1079 CB ASN A 126 16.409 -8.583 8.894 1.00 22.35 C ATOM 1080 CG ASN A 126 17.809 -8.647 9.474 1.00 44.54 C ATOM 1081 OD1 ASN A 126 18.678 -9.344 8.951 1.00 64.41 O ATOM 1082 ND2 ASN A 126 18.034 -7.916 10.559 1.00 12.25 N ATOM 0 H ASN A 126 16.847 -6.281 7.851 1.00 1.44 H new ATOM 0 HA ASN A 126 16.993 -9.045 6.879 1.00 55.33 H new ATOM 0 HB2 ASN A 126 15.837 -7.815 9.415 1.00 22.35 H new ATOM 0 HB3 ASN A 126 15.902 -9.532 9.070 1.00 22.35 H new ATOM 0 HD21 ASN A 126 18.957 -7.918 10.993 1.00 12.25 H new ATOM 0 HD22 ASN A 126 17.284 -7.353 10.959 1.00 12.25 H new ATOM 1089 N SER A 127 14.250 -7.226 7.081 1.00 42.45 N ATOM 1090 CA SER A 127 12.870 -7.128 6.621 1.00 73.30 C ATOM 1091 C SER A 127 12.762 -6.195 5.419 1.00 53.10 C ATOM 1092 O SER A 127 13.746 -5.583 5.003 1.00 3.51 O ATOM 1093 CB SER A 127 11.968 -6.629 7.751 1.00 34.13 C ATOM 1094 OG SER A 127 12.528 -5.493 8.387 1.00 31.42 O ATOM 0 H SER A 127 14.588 -6.403 7.579 1.00 42.45 H new ATOM 0 HA SER A 127 12.543 -8.122 6.317 1.00 73.30 H new ATOM 0 HB2 SER A 127 10.985 -6.379 7.352 1.00 34.13 H new ATOM 0 HB3 SER A 127 11.822 -7.424 8.482 1.00 34.13 H new ATOM 0 HG SER A 127 11.932 -5.192 9.104 1.00 31.42 H new ATOM 1100 N LEU A 128 11.559 -6.091 4.865 1.00 71.22 N ATOM 1101 CA LEU A 128 11.320 -5.233 3.710 1.00 40.51 C ATOM 1102 C LEU A 128 11.102 -3.786 4.143 1.00 73.25 C ATOM 1103 O LEU A 128 11.582 -2.856 3.497 1.00 55.24 O ATOM 1104 CB LEU A 128 10.107 -5.730 2.922 1.00 12.11 C ATOM 1105 CG LEU A 128 10.293 -7.044 2.162 1.00 13.32 C ATOM 1106 CD1 LEU A 128 8.994 -7.458 1.488 1.00 63.44 C ATOM 1107 CD2 LEU A 128 11.410 -6.914 1.138 1.00 43.24 C ATOM 0 H LEU A 128 10.734 -6.590 5.197 1.00 71.22 H new ATOM 0 HA LEU A 128 12.202 -5.273 3.070 1.00 40.51 H new ATOM 0 HB2 LEU A 128 9.273 -5.848 3.614 1.00 12.11 H new ATOM 0 HB3 LEU A 128 9.821 -4.958 2.208 1.00 12.11 H new ATOM 0 HG LEU A 128 10.571 -7.819 2.876 1.00 13.32 H new ATOM 0 HD11 LEU A 128 9.145 -8.395 0.952 1.00 63.44 H new ATOM 0 HD12 LEU A 128 8.219 -7.592 2.243 1.00 63.44 H new ATOM 0 HD13 LEU A 128 8.686 -6.684 0.786 1.00 63.44 H new ATOM 0 HD21 LEU A 128 11.528 -7.858 0.607 1.00 43.24 H new ATOM 0 HD22 LEU A 128 11.162 -6.126 0.427 1.00 43.24 H new ATOM 0 HD23 LEU A 128 12.342 -6.664 1.646 1.00 43.24 H new ATOM 1119 N ASN A 129 10.376 -3.606 5.241 1.00 13.22 N ATOM 1120 CA ASN A 129 10.095 -2.273 5.761 1.00 2.45 C ATOM 1121 C ASN A 129 11.378 -1.456 5.886 1.00 21.33 C ATOM 1122 O ASN A 129 11.372 -0.240 5.699 1.00 73.23 O ATOM 1123 CB ASN A 129 9.404 -2.369 7.123 1.00 2.22 C ATOM 1124 CG ASN A 129 9.536 -1.092 7.930 1.00 2.41 C ATOM 1125 OD1 ASN A 129 10.743 -0.820 8.414 1.00 71.33 O flip ATOM 1126 ND2 ASN A 129 8.565 -0.358 8.116 1.00 54.41 N flip ATOM 0 H ASN A 129 9.972 -4.366 5.788 1.00 13.22 H new ATOM 0 HA ASN A 129 9.431 -1.769 5.059 1.00 2.45 H new ATOM 0 HB2 ASN A 129 8.348 -2.595 6.976 1.00 2.22 H new ATOM 0 HB3 ASN A 129 9.832 -3.198 7.687 1.00 2.22 H new ATOM 0 HD21 ASN A 129 7.656 -0.606 7.725 1.00 54.41 H new ATOM 0 HD22 ASN A 129 8.670 0.498 8.661 1.00 54.41 H new ATOM 1133 N GLU A 130 12.476 -2.135 6.204 1.00 44.25 N ATOM 1134 CA GLU A 130 13.766 -1.472 6.353 1.00 5.13 C ATOM 1135 C GLU A 130 14.289 -0.988 5.004 1.00 44.21 C ATOM 1136 O GLU A 130 14.897 0.079 4.907 1.00 13.51 O ATOM 1137 CB GLU A 130 14.781 -2.421 6.995 1.00 11.42 C ATOM 1138 CG GLU A 130 14.481 -2.738 8.450 1.00 20.45 C ATOM 1139 CD GLU A 130 14.941 -1.644 9.393 1.00 5.15 C ATOM 1140 OE1 GLU A 130 14.609 -0.466 9.144 1.00 32.53 O ATOM 1141 OE2 GLU A 130 15.635 -1.966 10.381 1.00 13.43 O ATOM 0 H GLU A 130 12.498 -3.142 6.363 1.00 44.25 H new ATOM 0 HA GLU A 130 13.628 -0.606 7.001 1.00 5.13 H new ATOM 0 HB2 GLU A 130 14.806 -3.351 6.427 1.00 11.42 H new ATOM 0 HB3 GLU A 130 15.775 -1.978 6.926 1.00 11.42 H new ATOM 0 HG2 GLU A 130 13.408 -2.889 8.571 1.00 20.45 H new ATOM 0 HG3 GLU A 130 14.968 -3.675 8.722 1.00 20.45 H new ATOM 1148 N LEU A 131 14.050 -1.780 3.965 1.00 50.02 N ATOM 1149 CA LEU A 131 14.497 -1.434 2.620 1.00 54.21 C ATOM 1150 C LEU A 131 13.727 -0.231 2.083 1.00 20.12 C ATOM 1151 O LEU A 131 14.320 0.775 1.694 1.00 12.43 O ATOM 1152 CB LEU A 131 14.320 -2.627 1.680 1.00 64.44 C ATOM 1153 CG LEU A 131 15.560 -3.494 1.455 1.00 1.03 C ATOM 1154 CD1 LEU A 131 15.526 -4.718 2.358 1.00 43.34 C ATOM 1155 CD2 LEU A 131 15.664 -3.909 -0.005 1.00 52.42 C ATOM 0 H LEU A 131 13.549 -2.666 4.028 1.00 50.02 H new ATOM 0 HA LEU A 131 15.554 -1.173 2.671 1.00 54.21 H new ATOM 0 HB2 LEU A 131 13.525 -3.260 2.075 1.00 64.44 H new ATOM 0 HB3 LEU A 131 13.981 -2.255 0.713 1.00 64.44 H new ATOM 0 HG LEU A 131 16.442 -2.905 1.708 1.00 1.03 H new ATOM 0 HD11 LEU A 131 16.416 -5.323 2.184 1.00 43.34 H new ATOM 0 HD12 LEU A 131 15.501 -4.401 3.400 1.00 43.34 H new ATOM 0 HD13 LEU A 131 14.637 -5.309 2.137 1.00 43.34 H new ATOM 0 HD21 LEU A 131 16.552 -4.525 -0.146 1.00 52.42 H new ATOM 0 HD22 LEU A 131 14.778 -4.480 -0.285 1.00 52.42 H new ATOM 0 HD23 LEU A 131 15.736 -3.020 -0.632 1.00 52.42 H new ATOM 1167 N VAL A 132 12.402 -0.342 2.067 1.00 45.11 N ATOM 1168 CA VAL A 132 11.551 0.737 1.581 1.00 10.44 C ATOM 1169 C VAL A 132 11.886 2.055 2.272 1.00 70.31 C ATOM 1170 O VAL A 132 11.893 3.113 1.643 1.00 61.12 O ATOM 1171 CB VAL A 132 10.060 0.419 1.803 1.00 43.14 C ATOM 1172 CG1 VAL A 132 9.663 -0.835 1.039 1.00 52.33 C ATOM 1173 CG2 VAL A 132 9.763 0.266 3.287 1.00 62.14 C ATOM 0 H VAL A 132 11.895 -1.168 2.385 1.00 45.11 H new ATOM 0 HA VAL A 132 11.740 0.832 0.512 1.00 10.44 H new ATOM 0 HB VAL A 132 9.468 1.251 1.422 1.00 43.14 H new ATOM 0 HG11 VAL A 132 8.607 -1.045 1.207 1.00 52.33 H new ATOM 0 HG12 VAL A 132 9.837 -0.683 -0.026 1.00 52.33 H new ATOM 0 HG13 VAL A 132 10.260 -1.678 1.388 1.00 52.33 H new ATOM 0 HG21 VAL A 132 8.705 0.042 3.425 1.00 62.14 H new ATOM 0 HG22 VAL A 132 10.363 -0.547 3.696 1.00 62.14 H new ATOM 0 HG23 VAL A 132 10.008 1.194 3.805 1.00 62.14 H new ATOM 1183 N ASP A 133 12.164 1.982 3.569 1.00 54.31 N ATOM 1184 CA ASP A 133 12.501 3.169 4.346 1.00 45.31 C ATOM 1185 C ASP A 133 13.820 3.773 3.871 1.00 75.23 C ATOM 1186 O ASP A 133 13.859 4.909 3.399 1.00 41.24 O ATOM 1187 CB ASP A 133 12.592 2.823 5.833 1.00 74.01 C ATOM 1188 CG ASP A 133 11.391 3.316 6.616 1.00 74.21 C ATOM 1189 OD1 ASP A 133 10.302 2.720 6.471 1.00 24.14 O ATOM 1190 OD2 ASP A 133 11.539 4.297 7.374 1.00 70.21 O ATOM 0 H ASP A 133 12.163 1.114 4.104 1.00 54.31 H new ATOM 0 HA ASP A 133 11.710 3.905 4.200 1.00 45.31 H new ATOM 0 HB2 ASP A 133 12.678 1.742 5.947 1.00 74.01 H new ATOM 0 HB3 ASP A 133 13.499 3.261 6.250 1.00 74.01 H new ATOM 1195 N TYR A 134 14.896 3.005 4.000 1.00 40.43 N ATOM 1196 CA TYR A 134 16.217 3.465 3.587 1.00 55.52 C ATOM 1197 C TYR A 134 16.155 4.145 2.222 1.00 14.45 C ATOM 1198 O TYR A 134 16.752 5.202 2.014 1.00 24.23 O ATOM 1199 CB TYR A 134 17.197 2.292 3.540 1.00 10.33 C ATOM 1200 CG TYR A 134 18.557 2.661 2.991 1.00 74.21 C ATOM 1201 CD1 TYR A 134 18.771 2.756 1.621 1.00 4.44 C ATOM 1202 CD2 TYR A 134 19.626 2.912 3.841 1.00 44.52 C ATOM 1203 CE1 TYR A 134 20.012 3.092 1.115 1.00 50.14 C ATOM 1204 CE2 TYR A 134 20.870 3.250 3.343 1.00 10.20 C ATOM 1205 CZ TYR A 134 21.058 3.339 1.979 1.00 32.54 C ATOM 1206 OH TYR A 134 22.295 3.673 1.480 1.00 45.34 O ATOM 0 H TYR A 134 14.880 2.061 4.387 1.00 40.43 H new ATOM 0 HA TYR A 134 16.566 4.192 4.320 1.00 55.52 H new ATOM 0 HB2 TYR A 134 17.317 1.890 4.546 1.00 10.33 H new ATOM 0 HB3 TYR A 134 16.771 1.497 2.928 1.00 10.33 H new ATOM 0 HD1 TYR A 134 17.954 2.564 0.941 1.00 4.44 H new ATOM 0 HD2 TYR A 134 19.483 2.842 4.909 1.00 44.52 H new ATOM 0 HE1 TYR A 134 20.162 3.161 0.048 1.00 50.14 H new ATOM 0 HE2 TYR A 134 21.691 3.443 4.018 1.00 10.20 H new ATOM 0 HH TYR A 134 22.919 3.815 2.222 1.00 45.34 H new ATOM 1216 N HIS A 135 15.426 3.532 1.295 1.00 30.23 N ATOM 1217 CA HIS A 135 15.284 4.077 -0.050 1.00 14.41 C ATOM 1218 C HIS A 135 14.326 5.265 -0.056 1.00 74.20 C ATOM 1219 O HIS A 135 14.367 6.104 -0.956 1.00 61.53 O ATOM 1220 CB HIS A 135 14.783 2.998 -1.010 1.00 52.33 C ATOM 1221 CG HIS A 135 15.868 2.102 -1.523 1.00 11.12 C ATOM 1222 ND1 HIS A 135 16.649 1.319 -0.699 1.00 42.41 N ATOM 1223 CD2 HIS A 135 16.299 1.866 -2.784 1.00 21.41 C ATOM 1224 CE1 HIS A 135 17.515 0.642 -1.431 1.00 61.42 C ATOM 1225 NE2 HIS A 135 17.323 0.955 -2.700 1.00 22.30 N ATOM 0 H HIS A 135 14.924 2.658 1.451 1.00 30.23 H new ATOM 0 HA HIS A 135 16.264 4.421 -0.382 1.00 14.41 H new ATOM 0 HB2 HIS A 135 14.032 2.392 -0.503 1.00 52.33 H new ATOM 0 HB3 HIS A 135 14.288 3.477 -1.855 1.00 52.33 H new ATOM 0 HD1 HIS A 135 16.570 1.270 0.317 1.00 42.41 H new ATOM 0 HD2 HIS A 135 15.910 2.311 -3.688 1.00 21.41 H new ATOM 0 HE1 HIS A 135 18.255 -0.050 -1.056 1.00 61.42 H new ATOM 1233 N ARG A 136 13.464 5.329 0.953 1.00 34.35 N ATOM 1234 CA ARG A 136 12.494 6.412 1.063 1.00 41.11 C ATOM 1235 C ARG A 136 13.191 7.738 1.354 1.00 20.12 C ATOM 1236 O ARG A 136 12.720 8.800 0.948 1.00 3.43 O ATOM 1237 CB ARG A 136 11.477 6.106 2.164 1.00 61.42 C ATOM 1238 CG ARG A 136 10.382 7.152 2.290 1.00 72.15 C ATOM 1239 CD ARG A 136 9.132 6.575 2.935 1.00 33.12 C ATOM 1240 NE ARG A 136 8.188 7.618 3.329 1.00 20.40 N ATOM 1241 CZ ARG A 136 8.414 8.479 4.314 1.00 0.34 C ATOM 1242 NH1 ARG A 136 9.546 8.423 5.002 1.00 2.01 N ATOM 1243 NH2 ARG A 136 7.507 9.400 4.613 1.00 15.04 N ATOM 0 H ARG A 136 13.417 4.643 1.707 1.00 34.35 H new ATOM 0 HA ARG A 136 11.972 6.496 0.110 1.00 41.11 H new ATOM 0 HB2 ARG A 136 11.020 5.136 1.966 1.00 61.42 H new ATOM 0 HB3 ARG A 136 12.000 6.023 3.117 1.00 61.42 H new ATOM 0 HG2 ARG A 136 10.745 7.991 2.884 1.00 72.15 H new ATOM 0 HG3 ARG A 136 10.136 7.543 1.303 1.00 72.15 H new ATOM 0 HD2 ARG A 136 8.647 5.892 2.238 1.00 33.12 H new ATOM 0 HD3 ARG A 136 9.413 5.991 3.811 1.00 33.12 H new ATOM 0 HE ARG A 136 7.307 7.689 2.820 1.00 20.40 H new ATOM 0 HH11 ARG A 136 10.246 7.717 4.775 1.00 2.01 H new ATOM 0 HH12 ARG A 136 9.717 9.086 5.758 1.00 2.01 H new ATOM 0 HH21 ARG A 136 6.635 9.447 4.086 1.00 15.04 H new ATOM 0 HH22 ARG A 136 7.682 10.061 5.370 1.00 15.04 H new ATOM 1257 N SER A 137 14.315 7.667 2.061 1.00 52.24 N ATOM 1258 CA SER A 137 15.074 8.862 2.410 1.00 24.21 C ATOM 1259 C SER A 137 16.224 9.081 1.431 1.00 75.23 C ATOM 1260 O SER A 137 16.677 10.208 1.228 1.00 21.23 O ATOM 1261 CB SER A 137 15.619 8.747 3.835 1.00 32.02 C ATOM 1262 OG SER A 137 16.430 7.594 3.980 1.00 42.22 O ATOM 0 H SER A 137 14.719 6.795 2.403 1.00 52.24 H new ATOM 0 HA SER A 137 14.402 9.718 2.352 1.00 24.21 H new ATOM 0 HB2 SER A 137 16.200 9.637 4.078 1.00 32.02 H new ATOM 0 HB3 SER A 137 14.791 8.704 4.542 1.00 32.02 H new ATOM 0 HG SER A 137 16.767 7.545 4.899 1.00 42.22 H new ATOM 1268 N THR A 138 16.691 7.994 0.824 1.00 2.12 N ATOM 1269 CA THR A 138 17.788 8.065 -0.133 1.00 51.20 C ATOM 1270 C THR A 138 17.296 7.809 -1.553 1.00 32.32 C ATOM 1271 O THR A 138 16.532 6.874 -1.796 1.00 41.40 O ATOM 1272 CB THR A 138 18.896 7.050 0.205 1.00 12.14 C ATOM 1273 OG1 THR A 138 19.435 7.328 1.503 1.00 72.53 O ATOM 1274 CG2 THR A 138 20.008 7.097 -0.832 1.00 34.52 C ATOM 0 H THR A 138 16.326 7.054 0.978 1.00 2.12 H new ATOM 0 HA THR A 138 18.198 9.073 -0.069 1.00 51.20 H new ATOM 0 HB THR A 138 18.458 6.052 0.200 1.00 12.14 H new ATOM 0 HG1 THR A 138 20.138 6.678 1.712 1.00 72.53 H new ATOM 0 HG21 THR A 138 20.779 6.372 -0.572 1.00 34.52 H new ATOM 0 HG22 THR A 138 19.600 6.857 -1.814 1.00 34.52 H new ATOM 0 HG23 THR A 138 20.443 8.096 -0.854 1.00 34.52 H new ATOM 1282 N SER A 139 17.739 8.644 -2.488 1.00 34.44 N ATOM 1283 CA SER A 139 17.340 8.509 -3.884 1.00 23.52 C ATOM 1284 C SER A 139 17.325 7.042 -4.305 1.00 41.20 C ATOM 1285 O SER A 139 17.912 6.187 -3.641 1.00 51.43 O ATOM 1286 CB SER A 139 18.289 9.300 -4.786 1.00 3.13 C ATOM 1287 OG SER A 139 19.585 8.725 -4.793 1.00 15.34 O ATOM 0 H SER A 139 18.374 9.421 -2.304 1.00 34.44 H new ATOM 0 HA SER A 139 16.332 8.910 -3.989 1.00 23.52 H new ATOM 0 HB2 SER A 139 17.894 9.325 -5.801 1.00 3.13 H new ATOM 0 HB3 SER A 139 18.348 10.332 -4.441 1.00 3.13 H new ATOM 0 HG SER A 139 20.172 9.248 -5.378 1.00 15.34 H new ATOM 1293 N VAL A 140 16.649 6.759 -5.414 1.00 20.41 N ATOM 1294 CA VAL A 140 16.557 5.396 -5.926 1.00 1.52 C ATOM 1295 C VAL A 140 16.768 5.361 -7.435 1.00 51.43 C ATOM 1296 O VAL A 140 17.351 4.418 -7.969 1.00 72.23 O ATOM 1297 CB VAL A 140 15.193 4.763 -5.594 1.00 52.12 C ATOM 1298 CG1 VAL A 140 15.077 3.384 -6.225 1.00 73.10 C ATOM 1299 CG2 VAL A 140 14.993 4.688 -4.088 1.00 52.10 C ATOM 0 H VAL A 140 16.157 7.455 -5.975 1.00 20.41 H new ATOM 0 HA VAL A 140 17.344 4.821 -5.439 1.00 1.52 H new ATOM 0 HB VAL A 140 14.408 5.394 -6.010 1.00 52.12 H new ATOM 0 HG11 VAL A 140 14.107 2.952 -5.980 1.00 73.10 H new ATOM 0 HG12 VAL A 140 15.173 3.470 -7.307 1.00 73.10 H new ATOM 0 HG13 VAL A 140 15.868 2.740 -5.841 1.00 73.10 H new ATOM 0 HG21 VAL A 140 14.024 4.238 -3.872 1.00 52.10 H new ATOM 0 HG22 VAL A 140 15.782 4.080 -3.646 1.00 52.10 H new ATOM 0 HG23 VAL A 140 15.029 5.692 -3.666 1.00 52.10 H new ATOM 1309 N SER A 141 16.290 6.397 -8.118 1.00 71.33 N ATOM 1310 CA SER A 141 16.423 6.483 -9.568 1.00 11.22 C ATOM 1311 C SER A 141 17.773 7.079 -9.955 1.00 22.21 C ATOM 1312 O SER A 141 18.218 8.067 -9.371 1.00 24.11 O ATOM 1313 CB SER A 141 15.292 7.330 -10.155 1.00 61.13 C ATOM 1314 OG SER A 141 15.605 7.757 -11.470 1.00 33.21 O ATOM 0 H SER A 141 15.808 7.188 -7.691 1.00 71.33 H new ATOM 0 HA SER A 141 16.361 5.474 -9.975 1.00 11.22 H new ATOM 0 HB2 SER A 141 14.368 6.751 -10.167 1.00 61.13 H new ATOM 0 HB3 SER A 141 15.116 8.198 -9.520 1.00 61.13 H new ATOM 0 HG SER A 141 14.866 8.295 -11.824 1.00 33.21 H new ATOM 1320 N ARG A 142 18.420 6.470 -10.944 1.00 32.15 N ATOM 1321 CA ARG A 142 19.720 6.938 -11.409 1.00 13.23 C ATOM 1322 C ARG A 142 19.562 7.917 -12.569 1.00 31.14 C ATOM 1323 O ARG A 142 20.460 8.064 -13.396 1.00 62.32 O ATOM 1324 CB ARG A 142 20.587 5.754 -11.841 1.00 3.55 C ATOM 1325 CG ARG A 142 20.685 4.657 -10.793 1.00 44.24 C ATOM 1326 CD ARG A 142 22.112 4.151 -10.649 1.00 1.12 C ATOM 1327 NE ARG A 142 22.636 4.369 -9.303 1.00 62.41 N ATOM 1328 CZ ARG A 142 23.109 5.535 -8.878 1.00 70.11 C ATOM 1329 NH1 ARG A 142 23.123 6.584 -9.689 1.00 72.42 N ATOM 1330 NH2 ARG A 142 23.569 5.654 -7.639 1.00 52.11 N ATOM 0 H ARG A 142 18.065 5.652 -11.438 1.00 32.15 H new ATOM 0 HA ARG A 142 20.209 7.455 -10.584 1.00 13.23 H new ATOM 0 HB2 ARG A 142 20.179 5.332 -12.760 1.00 3.55 H new ATOM 0 HB3 ARG A 142 21.589 6.114 -12.073 1.00 3.55 H new ATOM 0 HG2 ARG A 142 20.334 5.036 -9.833 1.00 44.24 H new ATOM 0 HG3 ARG A 142 20.030 3.830 -11.068 1.00 44.24 H new ATOM 0 HD2 ARG A 142 22.145 3.087 -10.883 1.00 1.12 H new ATOM 0 HD3 ARG A 142 22.751 4.656 -11.373 1.00 1.12 H new ATOM 0 HE ARG A 142 22.639 3.582 -8.654 1.00 62.41 H new ATOM 0 HH11 ARG A 142 22.770 6.497 -10.642 1.00 72.42 H new ATOM 0 HH12 ARG A 142 23.487 7.478 -9.360 1.00 72.42 H new ATOM 0 HH21 ARG A 142 23.560 4.850 -7.012 1.00 52.11 H new ATOM 0 HH22 ARG A 142 23.932 6.550 -7.314 1.00 52.11 H new ATOM 1344 N ASN A 143 18.413 8.583 -12.622 1.00 3.44 N ATOM 1345 CA ASN A 143 18.137 9.547 -13.681 1.00 1.44 C ATOM 1346 C ASN A 143 17.669 10.877 -13.097 1.00 41.23 C ATOM 1347 O ASN A 143 18.096 11.944 -13.539 1.00 74.32 O ATOM 1348 CB ASN A 143 17.078 8.996 -14.637 1.00 13.10 C ATOM 1349 CG ASN A 143 17.425 9.248 -16.092 1.00 30.44 C ATOM 1350 OD1 ASN A 143 16.896 10.166 -16.718 1.00 31.01 O ATOM 1351 ND2 ASN A 143 18.318 8.430 -16.636 1.00 64.13 N ATOM 0 H ASN A 143 17.659 8.473 -11.944 1.00 3.44 H new ATOM 0 HA ASN A 143 19.061 9.718 -14.233 1.00 1.44 H new ATOM 0 HB2 ASN A 143 16.967 7.924 -14.473 1.00 13.10 H new ATOM 0 HB3 ASN A 143 16.115 9.454 -14.411 1.00 13.10 H new ATOM 0 HD21 ASN A 143 18.591 8.549 -17.611 1.00 64.13 H new ATOM 0 HD22 ASN A 143 18.731 7.682 -16.079 1.00 64.13 H new ATOM 1358 N GLN A 144 16.791 10.804 -12.103 1.00 13.45 N ATOM 1359 CA GLN A 144 16.265 12.003 -11.459 1.00 21.50 C ATOM 1360 C GLN A 144 16.390 11.905 -9.942 1.00 45.31 C ATOM 1361 O GLN A 144 16.716 10.847 -9.404 1.00 41.51 O ATOM 1362 CB GLN A 144 14.801 12.216 -11.849 1.00 5.20 C ATOM 1363 CG GLN A 144 14.529 13.579 -12.464 1.00 55.22 C ATOM 1364 CD GLN A 144 13.523 14.388 -11.669 1.00 32.24 C ATOM 1365 OE1 GLN A 144 13.892 15.279 -10.903 1.00 32.53 O ATOM 1366 NE2 GLN A 144 12.243 14.081 -11.846 1.00 41.22 N ATOM 0 H GLN A 144 16.428 9.928 -11.726 1.00 13.45 H new ATOM 0 HA GLN A 144 16.852 12.856 -11.800 1.00 21.50 H new ATOM 0 HB2 GLN A 144 14.506 11.441 -12.557 1.00 5.20 H new ATOM 0 HB3 GLN A 144 14.176 12.094 -10.964 1.00 5.20 H new ATOM 0 HG2 GLN A 144 15.464 14.135 -12.533 1.00 55.22 H new ATOM 0 HG3 GLN A 144 14.161 13.447 -13.481 1.00 55.22 H new ATOM 0 HE21 GLN A 144 11.982 13.335 -12.491 1.00 41.22 H new ATOM 0 HE22 GLN A 144 11.521 14.591 -11.337 1.00 41.22 H new ATOM 1375 N GLN A 145 16.130 13.016 -9.259 1.00 64.44 N ATOM 1376 CA GLN A 145 16.216 13.055 -7.804 1.00 75.43 C ATOM 1377 C GLN A 145 14.835 12.903 -7.174 1.00 21.10 C ATOM 1378 O GLN A 145 14.193 13.891 -6.818 1.00 0.45 O ATOM 1379 CB GLN A 145 16.858 14.365 -7.345 1.00 32.30 C ATOM 1380 CG GLN A 145 16.371 15.583 -8.113 1.00 65.12 C ATOM 1381 CD GLN A 145 16.130 16.781 -7.216 1.00 22.21 C ATOM 1382 OE1 GLN A 145 16.952 17.104 -6.358 1.00 22.21 O ATOM 1383 NE2 GLN A 145 14.998 17.448 -7.410 1.00 23.53 N ATOM 0 H GLN A 145 15.858 13.900 -9.690 1.00 64.44 H new ATOM 0 HA GLN A 145 16.838 12.221 -7.479 1.00 75.43 H new ATOM 0 HB2 GLN A 145 16.652 14.509 -6.284 1.00 32.30 H new ATOM 0 HB3 GLN A 145 17.940 14.287 -7.452 1.00 32.30 H new ATOM 0 HG2 GLN A 145 17.106 15.846 -8.874 1.00 65.12 H new ATOM 0 HG3 GLN A 145 15.447 15.333 -8.635 1.00 65.12 H new ATOM 0 HE21 GLN A 145 14.345 17.145 -8.133 1.00 23.53 H new ATOM 0 HE22 GLN A 145 14.782 18.263 -6.836 1.00 23.53 H new ATOM 1392 N ILE A 146 14.385 11.660 -7.040 1.00 53.10 N ATOM 1393 CA ILE A 146 13.081 11.380 -6.452 1.00 73.10 C ATOM 1394 C ILE A 146 13.192 10.348 -5.335 1.00 33.11 C ATOM 1395 O ILE A 146 14.141 9.565 -5.290 1.00 41.13 O ATOM 1396 CB ILE A 146 12.084 10.870 -7.510 1.00 21.14 C ATOM 1397 CG1 ILE A 146 11.880 11.924 -8.600 1.00 65.42 C ATOM 1398 CG2 ILE A 146 10.757 10.511 -6.858 1.00 1.45 C ATOM 1399 CD1 ILE A 146 11.405 11.348 -9.916 1.00 23.33 C ATOM 0 H ILE A 146 14.904 10.831 -7.330 1.00 53.10 H new ATOM 0 HA ILE A 146 12.712 12.319 -6.040 1.00 73.10 H new ATOM 0 HB ILE A 146 12.495 9.972 -7.971 1.00 21.14 H new ATOM 0 HG12 ILE A 146 11.155 12.660 -8.252 1.00 65.42 H new ATOM 0 HG13 ILE A 146 12.819 12.454 -8.762 1.00 65.42 H new ATOM 0 HG21 ILE A 146 10.063 10.152 -7.618 1.00 1.45 H new ATOM 0 HG22 ILE A 146 10.916 9.730 -6.115 1.00 1.45 H new ATOM 0 HG23 ILE A 146 10.339 11.393 -6.373 1.00 1.45 H new ATOM 0 HD11 ILE A 146 11.282 12.152 -10.642 1.00 23.33 H new ATOM 0 HD12 ILE A 146 12.140 10.634 -10.287 1.00 23.33 H new ATOM 0 HD13 ILE A 146 10.450 10.843 -9.769 1.00 23.33 H new ATOM 1411 N PHE A 147 12.214 10.351 -4.435 1.00 21.12 N ATOM 1412 CA PHE A 147 12.201 9.414 -3.317 1.00 40.12 C ATOM 1413 C PHE A 147 10.986 8.494 -3.393 1.00 11.32 C ATOM 1414 O PHE A 147 10.097 8.687 -4.224 1.00 5.20 O ATOM 1415 CB PHE A 147 12.199 10.173 -1.988 1.00 73.44 C ATOM 1416 CG PHE A 147 13.414 11.032 -1.786 1.00 61.34 C ATOM 1417 CD1 PHE A 147 14.678 10.546 -2.079 1.00 4.02 C ATOM 1418 CD2 PHE A 147 13.292 12.325 -1.304 1.00 23.34 C ATOM 1419 CE1 PHE A 147 15.799 11.334 -1.894 1.00 51.04 C ATOM 1420 CE2 PHE A 147 14.409 13.117 -1.118 1.00 1.44 C ATOM 1421 CZ PHE A 147 15.664 12.621 -1.412 1.00 50.11 C ATOM 0 H PHE A 147 11.420 10.991 -4.458 1.00 21.12 H new ATOM 0 HA PHE A 147 13.102 8.803 -3.377 1.00 40.12 H new ATOM 0 HB2 PHE A 147 11.309 10.800 -1.938 1.00 73.44 H new ATOM 0 HB3 PHE A 147 12.131 9.456 -1.170 1.00 73.44 H new ATOM 0 HD1 PHE A 147 14.789 9.540 -2.456 1.00 4.02 H new ATOM 0 HD2 PHE A 147 12.313 12.718 -1.071 1.00 23.34 H new ATOM 0 HE1 PHE A 147 16.779 10.943 -2.126 1.00 51.04 H new ATOM 0 HE2 PHE A 147 14.301 14.124 -0.743 1.00 1.44 H new ATOM 0 HZ PHE A 147 16.538 13.238 -1.265 1.00 50.11 H new ATOM 1431 N LEU A 148 10.954 7.493 -2.520 1.00 41.40 N ATOM 1432 CA LEU A 148 9.849 6.542 -2.487 1.00 33.11 C ATOM 1433 C LEU A 148 8.697 7.075 -1.641 1.00 30.45 C ATOM 1434 O LEU A 148 8.806 7.173 -0.418 1.00 53.12 O ATOM 1435 CB LEU A 148 10.324 5.197 -1.934 1.00 12.22 C ATOM 1436 CG LEU A 148 11.507 4.554 -2.657 1.00 45.23 C ATOM 1437 CD1 LEU A 148 11.872 3.227 -2.010 1.00 1.42 C ATOM 1438 CD2 LEU A 148 11.189 4.360 -4.133 1.00 1.13 C ATOM 0 H LEU A 148 11.681 7.319 -1.826 1.00 41.40 H new ATOM 0 HA LEU A 148 9.492 6.402 -3.507 1.00 33.11 H new ATOM 0 HB2 LEU A 148 10.594 5.333 -0.887 1.00 12.22 H new ATOM 0 HB3 LEU A 148 9.486 4.500 -1.959 1.00 12.22 H new ATOM 0 HG LEU A 148 12.364 5.222 -2.575 1.00 45.23 H new ATOM 0 HD11 LEU A 148 12.716 2.784 -2.539 1.00 1.42 H new ATOM 0 HD12 LEU A 148 12.143 3.393 -0.967 1.00 1.42 H new ATOM 0 HD13 LEU A 148 11.018 2.551 -2.060 1.00 1.42 H new ATOM 0 HD21 LEU A 148 12.043 3.901 -4.632 1.00 1.13 H new ATOM 0 HD22 LEU A 148 10.318 3.713 -4.236 1.00 1.13 H new ATOM 0 HD23 LEU A 148 10.979 5.327 -4.590 1.00 1.13 H new ATOM 1450 N ARG A 149 7.594 7.415 -2.299 1.00 33.32 N ATOM 1451 CA ARG A 149 6.421 7.936 -1.607 1.00 2.22 C ATOM 1452 C ARG A 149 5.577 6.801 -1.036 1.00 71.51 C ATOM 1453 O ARG A 149 5.359 5.784 -1.695 1.00 61.23 O ATOM 1454 CB ARG A 149 5.577 8.785 -2.559 1.00 13.45 C ATOM 1455 CG ARG A 149 6.193 10.138 -2.877 1.00 73.13 C ATOM 1456 CD ARG A 149 6.014 11.116 -1.727 1.00 5.31 C ATOM 1457 NE ARG A 149 6.998 12.195 -1.769 1.00 12.33 N ATOM 1458 CZ ARG A 149 7.094 13.138 -0.838 1.00 4.01 C ATOM 1459 NH1 ARG A 149 6.272 13.134 0.202 1.00 10.21 N ATOM 1460 NH2 ARG A 149 8.016 14.087 -0.946 1.00 75.01 N ATOM 0 H ARG A 149 7.488 7.339 -3.311 1.00 33.32 H new ATOM 0 HA ARG A 149 6.764 8.560 -0.782 1.00 2.22 H new ATOM 0 HB2 ARG A 149 5.429 8.235 -3.488 1.00 13.45 H new ATOM 0 HB3 ARG A 149 4.592 8.938 -2.119 1.00 13.45 H new ATOM 0 HG2 ARG A 149 7.255 10.015 -3.089 1.00 73.13 H new ATOM 0 HG3 ARG A 149 5.733 10.546 -3.777 1.00 73.13 H new ATOM 0 HD2 ARG A 149 5.010 11.539 -1.764 1.00 5.31 H new ATOM 0 HD3 ARG A 149 6.101 10.583 -0.780 1.00 5.31 H new ATOM 0 HE ARG A 149 7.646 12.226 -2.556 1.00 12.33 H new ATOM 0 HH11 ARG A 149 5.563 12.406 0.289 1.00 10.21 H new ATOM 0 HH12 ARG A 149 6.348 13.859 0.915 1.00 10.21 H new ATOM 0 HH21 ARG A 149 8.651 14.092 -1.744 1.00 75.01 H new ATOM 0 HH22 ARG A 149 8.089 14.811 -0.231 1.00 75.01 H new ATOM 1474 N ASP A 150 5.105 6.981 0.192 1.00 30.14 N ATOM 1475 CA ASP A 150 4.284 5.972 0.852 1.00 1.10 C ATOM 1476 C ASP A 150 2.989 5.736 0.081 1.00 65.44 C ATOM 1477 O ASP A 150 2.077 6.561 0.113 1.00 53.40 O ATOM 1478 CB ASP A 150 3.967 6.400 2.286 1.00 61.51 C ATOM 1479 CG ASP A 150 2.707 5.747 2.820 1.00 61.25 C ATOM 1480 OD1 ASP A 150 2.630 4.501 2.797 1.00 31.33 O ATOM 1481 OD2 ASP A 150 1.798 6.482 3.259 1.00 72.04 O ATOM 0 H ASP A 150 5.277 7.817 0.751 1.00 30.14 H new ATOM 0 HA ASP A 150 4.847 5.039 0.875 1.00 1.10 H new ATOM 0 HB2 ASP A 150 4.807 6.145 2.932 1.00 61.51 H new ATOM 0 HB3 ASP A 150 3.855 7.484 2.322 1.00 61.51 H new ATOM 1486 N ILE A 151 2.918 4.604 -0.613 1.00 1.33 N ATOM 1487 CA ILE A 151 1.735 4.260 -1.392 1.00 65.11 C ATOM 1488 C ILE A 151 0.502 4.153 -0.502 1.00 23.35 C ATOM 1489 O ILE A 151 0.598 3.772 0.664 1.00 24.54 O ATOM 1490 CB ILE A 151 1.926 2.931 -2.148 1.00 3.55 C ATOM 1491 CG1 ILE A 151 0.967 2.854 -3.337 1.00 61.30 C ATOM 1492 CG2 ILE A 151 1.712 1.753 -1.209 1.00 41.14 C ATOM 1493 CD1 ILE A 151 0.761 1.448 -3.856 1.00 34.23 C ATOM 0 H ILE A 151 3.665 3.911 -0.651 1.00 1.33 H new ATOM 0 HA ILE A 151 1.589 5.063 -2.115 1.00 65.11 H new ATOM 0 HB ILE A 151 2.947 2.888 -2.526 1.00 3.55 H new ATOM 0 HG12 ILE A 151 0.003 3.269 -3.044 1.00 61.30 H new ATOM 0 HG13 ILE A 151 1.351 3.478 -4.144 1.00 61.30 H new ATOM 0 HG21 ILE A 151 1.850 0.821 -1.757 1.00 41.14 H new ATOM 0 HG22 ILE A 151 2.432 1.804 -0.392 1.00 41.14 H new ATOM 0 HG23 ILE A 151 0.701 1.789 -0.804 1.00 41.14 H new ATOM 0 HD11 ILE A 151 0.070 1.469 -4.699 1.00 34.23 H new ATOM 0 HD12 ILE A 151 1.717 1.036 -4.181 1.00 34.23 H new ATOM 0 HD13 ILE A 151 0.348 0.824 -3.063 1.00 34.23 H new ATOM 1505 N GLU A 152 -0.656 4.490 -1.060 1.00 42.15 N ATOM 1506 CA GLU A 152 -1.908 4.431 -0.316 1.00 74.54 C ATOM 1507 C GLU A 152 -2.593 3.080 -0.510 1.00 45.30 C ATOM 1508 O GLU A 152 -3.192 2.821 -1.553 1.00 44.23 O ATOM 1509 CB GLU A 152 -2.844 5.557 -0.759 1.00 55.01 C ATOM 1510 CG GLU A 152 -2.974 6.676 0.260 1.00 14.41 C ATOM 1511 CD GLU A 152 -4.306 6.654 0.984 1.00 14.24 C ATOM 1512 OE1 GLU A 152 -4.515 5.747 1.817 1.00 42.12 O ATOM 1513 OE2 GLU A 152 -5.141 7.545 0.718 1.00 24.14 O ATOM 0 H GLU A 152 -0.753 4.807 -2.025 1.00 42.15 H new ATOM 0 HA GLU A 152 -1.678 4.554 0.742 1.00 74.54 H new ATOM 0 HB2 GLU A 152 -2.479 5.973 -1.698 1.00 55.01 H new ATOM 0 HB3 GLU A 152 -3.832 5.140 -0.957 1.00 55.01 H new ATOM 0 HG2 GLU A 152 -2.167 6.594 0.989 1.00 14.41 H new ATOM 0 HG3 GLU A 152 -2.854 7.636 -0.243 1.00 14.41 H new ATOM 1520 N GLN A 153 -2.497 2.225 0.503 1.00 74.33 N ATOM 1521 CA GLN A 153 -3.106 0.901 0.443 1.00 23.13 C ATOM 1522 C GLN A 153 -4.585 0.997 0.084 1.00 43.13 C ATOM 1523 O GLN A 153 -5.307 1.846 0.606 1.00 53.23 O ATOM 1524 CB GLN A 153 -2.940 0.180 1.782 1.00 31.12 C ATOM 1525 CG GLN A 153 -3.384 -1.274 1.750 1.00 54.54 C ATOM 1526 CD GLN A 153 -2.316 -2.198 1.201 1.00 62.24 C ATOM 1527 OE1 GLN A 153 -1.299 -2.446 1.850 1.00 13.30 O ATOM 1528 NE2 GLN A 153 -2.540 -2.715 -0.002 1.00 14.02 N ATOM 0 H GLN A 153 -2.004 2.425 1.374 1.00 74.33 H new ATOM 0 HA GLN A 153 -2.599 0.330 -0.335 1.00 23.13 H new ATOM 0 HB2 GLN A 153 -1.893 0.225 2.082 1.00 31.12 H new ATOM 0 HB3 GLN A 153 -3.513 0.709 2.544 1.00 31.12 H new ATOM 0 HG2 GLN A 153 -3.650 -1.591 2.758 1.00 54.54 H new ATOM 0 HG3 GLN A 153 -4.283 -1.362 1.141 1.00 54.54 H new ATOM 0 HE21 GLN A 153 -3.396 -2.483 -0.505 1.00 14.02 H new ATOM 0 HE22 GLN A 153 -1.856 -3.344 -0.422 1.00 14.02 H new