USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 848 hydrogens (43 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 126 ASN : amide:sc= -0.171 K(o=0.52,f=-0.96!) USER MOD Set 1.2: A 127 SER OG : rot 122:sc= 1.19 USER MOD Set 1.3: A 129 ASN : amide:sc= -0.505! C(o=0.52!,f=-2!) USER MOD Set 2.1: A 106 GLN : amide:sc= -1.36 K(o=-0.44,f=-1.7) USER MOD Set 2.2: A 141 SER OG : rot 96:sc= 0.915 USER MOD Set 3.1: A 98 SER OG : rot 28:sc= 0.0414 USER MOD Set 3.2: A 107 HIS : no HD1:sc= -6.58! C(o=-6.5!,f=-10!) 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 150:sc= -0.227 (180deg=-0.955) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -3.68! C(o=-3.7!,f=-5.5!) USER MOD Single : A 79 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.58) 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 -170:sc= -0.103 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= -0.122 (180deg=-0.122) USER MOD Single : A 103 ASN : amide:sc= -0.0434 K(o=-0.043,f=-0.77) 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 -44:sc= 0.00178 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 164:sc= 0.246 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc=-0.00857 X(o=-0.0086,f=0) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 153 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc=-0.00879 X(o=-0.0088,f=-0.0088) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.972 -1.362 0.250 1.00 32.21 N ATOM 2 CA TRP A 60 1.656 -1.169 -1.024 1.00 20.45 C ATOM 3 C TRP A 60 2.034 -2.509 -1.646 1.00 43.45 C ATOM 4 O TRP A 60 2.560 -2.560 -2.759 1.00 33.53 O ATOM 5 CB TRP A 60 2.908 -0.312 -0.829 1.00 15.21 C ATOM 6 CG TRP A 60 3.541 -0.483 0.518 1.00 24.24 C ATOM 7 CD1 TRP A 60 3.562 0.427 1.536 1.00 3.32 C ATOM 8 CD2 TRP A 60 4.248 -1.635 0.993 1.00 15.30 C ATOM 9 NE1 TRP A 60 4.239 -0.089 2.615 1.00 51.01 N ATOM 10 CE2 TRP A 60 4.668 -1.353 2.307 1.00 4.24 C ATOM 11 CE3 TRP A 60 4.563 -2.877 0.437 1.00 63.04 C ATOM 12 CZ2 TRP A 60 5.389 -2.268 3.070 1.00 11.14 C ATOM 13 CZ3 TRP A 60 5.279 -3.784 1.195 1.00 33.10 C ATOM 14 CH2 TRP A 60 5.684 -3.476 2.500 1.00 24.45 C ATOM 0 HA TRP A 60 0.974 -0.654 -1.701 1.00 20.45 H new ATOM 0 HB2 TRP A 60 3.636 -0.565 -1.599 1.00 15.21 H new ATOM 0 HB3 TRP A 60 2.647 0.737 -0.969 1.00 15.21 H new ATOM 0 HD1 TRP A 60 3.113 1.408 1.499 1.00 3.32 H new ATOM 0 HE1 TRP A 60 4.396 0.391 3.501 1.00 51.01 H new ATOM 0 HE3 TRP A 60 4.253 -3.124 -0.567 1.00 63.04 H new ATOM 0 HZ2 TRP A 60 5.704 -2.032 4.076 1.00 11.14 H new ATOM 0 HZ3 TRP A 60 5.530 -4.746 0.774 1.00 33.10 H new ATOM 0 HH2 TRP A 60 6.240 -4.207 3.068 1.00 24.45 H new ATOM 25 N PHE A 61 1.764 -3.590 -0.923 1.00 72.23 N ATOM 26 CA PHE A 61 2.077 -4.930 -1.406 1.00 31.23 C ATOM 27 C PHE A 61 0.896 -5.524 -2.168 1.00 13.31 C ATOM 28 O PHE A 61 -0.262 -5.290 -1.821 1.00 12.21 O ATOM 29 CB PHE A 61 2.453 -5.842 -0.236 1.00 0.44 C ATOM 30 CG PHE A 61 2.127 -7.288 -0.474 1.00 32.24 C ATOM 31 CD1 PHE A 61 2.851 -8.034 -1.390 1.00 55.31 C ATOM 32 CD2 PHE A 61 1.096 -7.903 0.219 1.00 12.50 C ATOM 33 CE1 PHE A 61 2.553 -9.365 -1.611 1.00 62.33 C ATOM 34 CE2 PHE A 61 0.794 -9.234 0.002 1.00 1.24 C ATOM 35 CZ PHE A 61 1.523 -9.966 -0.915 1.00 12.33 C ATOM 0 H PHE A 61 1.329 -3.565 -0.001 1.00 72.23 H new ATOM 0 HA PHE A 61 2.925 -4.854 -2.087 1.00 31.23 H new ATOM 0 HB2 PHE A 61 3.521 -5.746 -0.040 1.00 0.44 H new ATOM 0 HB3 PHE A 61 1.933 -5.503 0.660 1.00 0.44 H new ATOM 0 HD1 PHE A 61 3.658 -7.570 -1.938 1.00 55.31 H new ATOM 0 HD2 PHE A 61 0.522 -7.336 0.937 1.00 12.50 H new ATOM 0 HE1 PHE A 61 3.125 -9.935 -2.328 1.00 62.33 H new ATOM 0 HE2 PHE A 61 -0.011 -9.702 0.549 1.00 1.24 H new ATOM 0 HZ PHE A 61 1.288 -11.006 -1.087 1.00 12.33 H new ATOM 45 N PHE A 62 1.197 -6.292 -3.209 1.00 62.51 N ATOM 46 CA PHE A 62 0.161 -6.919 -4.022 1.00 44.23 C ATOM 47 C PHE A 62 0.418 -8.415 -4.172 1.00 30.52 C ATOM 48 O PHE A 62 1.509 -8.834 -4.555 1.00 64.11 O ATOM 49 CB PHE A 62 0.099 -6.260 -5.402 1.00 72.31 C ATOM 50 CG PHE A 62 -0.916 -5.157 -5.494 1.00 73.14 C ATOM 51 CD1 PHE A 62 -0.635 -3.895 -4.997 1.00 24.13 C ATOM 52 CD2 PHE A 62 -2.152 -5.382 -6.078 1.00 74.44 C ATOM 53 CE1 PHE A 62 -1.566 -2.878 -5.080 1.00 54.43 C ATOM 54 CE2 PHE A 62 -3.088 -4.369 -6.165 1.00 42.33 C ATOM 55 CZ PHE A 62 -2.795 -3.115 -5.665 1.00 30.25 C ATOM 0 H PHE A 62 2.150 -6.496 -3.510 1.00 62.51 H new ATOM 0 HA PHE A 62 -0.795 -6.782 -3.517 1.00 44.23 H new ATOM 0 HB2 PHE A 62 1.082 -5.860 -5.649 1.00 72.31 H new ATOM 0 HB3 PHE A 62 -0.133 -7.020 -6.149 1.00 72.31 H new ATOM 0 HD1 PHE A 62 0.324 -3.704 -4.539 1.00 24.13 H new ATOM 0 HD2 PHE A 62 -2.387 -6.361 -6.470 1.00 74.44 H new ATOM 0 HE1 PHE A 62 -1.334 -1.899 -4.688 1.00 54.43 H new ATOM 0 HE2 PHE A 62 -4.048 -4.558 -6.623 1.00 42.33 H new ATOM 0 HZ PHE A 62 -3.525 -2.322 -5.731 1.00 30.25 H new ATOM 65 N GLY A 63 -0.597 -9.218 -3.865 1.00 52.41 N ATOM 66 CA GLY A 63 -0.462 -10.659 -3.971 1.00 11.44 C ATOM 67 C GLY A 63 0.278 -11.081 -5.224 1.00 61.40 C ATOM 68 O GLY A 63 1.508 -11.132 -5.241 1.00 1.31 O ATOM 0 H GLY A 63 -1.510 -8.896 -3.545 1.00 52.41 H new ATOM 0 HA2 GLY A 63 0.067 -11.037 -3.096 1.00 11.44 H new ATOM 0 HA3 GLY A 63 -1.452 -11.115 -3.967 1.00 11.44 H new ATOM 72 N LYS A 64 -0.472 -11.388 -6.277 1.00 60.10 N ATOM 73 CA LYS A 64 0.119 -11.809 -7.541 1.00 63.45 C ATOM 74 C LYS A 64 -0.483 -11.035 -8.709 1.00 14.41 C ATOM 75 O LYS A 64 -1.642 -11.241 -9.071 1.00 12.05 O ATOM 76 CB LYS A 64 -0.089 -13.311 -7.750 1.00 73.13 C ATOM 77 CG LYS A 64 -1.534 -13.752 -7.591 1.00 61.44 C ATOM 78 CD LYS A 64 -1.669 -14.856 -6.556 1.00 12.24 C ATOM 79 CE LYS A 64 -1.894 -14.288 -5.163 1.00 34.14 C ATOM 80 NZ LYS A 64 -3.326 -14.362 -4.758 1.00 42.34 N ATOM 0 H LYS A 64 -1.491 -11.353 -6.280 1.00 60.10 H new ATOM 0 HA LYS A 64 1.188 -11.598 -7.501 1.00 63.45 H new ATOM 0 HB2 LYS A 64 0.257 -13.582 -8.747 1.00 73.13 H new ATOM 0 HB3 LYS A 64 0.530 -13.858 -7.038 1.00 73.13 H new ATOM 0 HG2 LYS A 64 -2.145 -12.899 -7.296 1.00 61.44 H new ATOM 0 HG3 LYS A 64 -1.916 -14.102 -8.550 1.00 61.44 H new ATOM 0 HD2 LYS A 64 -2.501 -15.507 -6.823 1.00 12.24 H new ATOM 0 HD3 LYS A 64 -0.769 -15.471 -6.559 1.00 12.24 H new ATOM 0 HE2 LYS A 64 -1.285 -14.836 -4.445 1.00 34.14 H new ATOM 0 HE3 LYS A 64 -1.562 -13.250 -5.136 1.00 34.14 H new ATOM 0 HZ1 LYS A 64 -3.438 -13.965 -3.803 1.00 42.34 H new ATOM 0 HZ2 LYS A 64 -3.905 -13.818 -5.429 1.00 42.34 H new ATOM 0 HZ3 LYS A 64 -3.636 -15.355 -4.759 1.00 42.34 H new ATOM 94 N ILE A 65 0.310 -10.144 -9.295 1.00 22.42 N ATOM 95 CA ILE A 65 -0.145 -9.341 -10.423 1.00 31.41 C ATOM 96 C ILE A 65 0.926 -9.256 -11.505 1.00 2.34 C ATOM 97 O ILE A 65 2.125 -9.228 -11.225 1.00 70.42 O ATOM 98 CB ILE A 65 -0.528 -7.917 -9.981 1.00 52.54 C ATOM 99 CG1 ILE A 65 0.676 -7.213 -9.352 1.00 20.11 C ATOM 100 CG2 ILE A 65 -1.693 -7.960 -9.004 1.00 74.03 C ATOM 101 CD1 ILE A 65 1.068 -5.936 -10.061 1.00 3.21 C ATOM 0 H ILE A 65 1.271 -9.960 -9.007 1.00 22.42 H new ATOM 0 HA ILE A 65 -1.027 -9.836 -10.828 1.00 31.41 H new ATOM 0 HB ILE A 65 -0.837 -7.351 -10.860 1.00 52.54 H new ATOM 0 HG12 ILE A 65 0.450 -6.986 -8.310 1.00 20.11 H new ATOM 0 HG13 ILE A 65 1.526 -7.895 -9.352 1.00 20.11 H new ATOM 0 HG21 ILE A 65 -1.952 -6.945 -8.701 1.00 74.03 H new ATOM 0 HG22 ILE A 65 -2.554 -8.426 -9.484 1.00 74.03 H new ATOM 0 HG23 ILE A 65 -1.410 -8.540 -8.125 1.00 74.03 H new ATOM 0 HD11 ILE A 65 1.928 -5.491 -9.561 1.00 3.21 H new ATOM 0 HD12 ILE A 65 1.326 -6.159 -11.096 1.00 3.21 H new ATOM 0 HD13 ILE A 65 0.233 -5.236 -10.038 1.00 3.21 H new ATOM 113 N PRO A 66 0.486 -9.210 -12.771 1.00 22.31 N ATOM 114 CA PRO A 66 1.391 -9.124 -13.921 1.00 23.22 C ATOM 115 C PRO A 66 2.087 -7.770 -14.011 1.00 22.52 C ATOM 116 O PRO A 66 1.457 -6.726 -13.847 1.00 53.23 O ATOM 117 CB PRO A 66 0.462 -9.328 -15.120 1.00 32.32 C ATOM 118 CG PRO A 66 -0.878 -8.890 -14.639 1.00 53.42 C ATOM 119 CD PRO A 66 -0.929 -9.239 -13.177 1.00 42.25 C ATOM 0 HA PRO A 66 2.197 -9.855 -13.860 1.00 23.22 H new ATOM 0 HB2 PRO A 66 0.787 -8.739 -15.977 1.00 32.32 H new ATOM 0 HB3 PRO A 66 0.448 -10.371 -15.437 1.00 32.32 H new ATOM 0 HG2 PRO A 66 -1.016 -7.819 -14.789 1.00 53.42 H new ATOM 0 HG3 PRO A 66 -1.673 -9.394 -15.188 1.00 53.42 H new ATOM 0 HD2 PRO A 66 -1.524 -8.521 -12.613 1.00 42.25 H new ATOM 0 HD3 PRO A 66 -1.374 -10.220 -13.013 1.00 42.25 H new ATOM 127 N ARG A 67 3.390 -7.796 -14.272 1.00 61.30 N ATOM 128 CA ARG A 67 4.171 -6.570 -14.383 1.00 25.41 C ATOM 129 C ARG A 67 3.332 -5.442 -14.975 1.00 32.14 C ATOM 130 O ARG A 67 3.440 -4.290 -14.557 1.00 4.40 O ATOM 131 CB ARG A 67 5.410 -6.807 -15.249 1.00 3.32 C ATOM 132 CG ARG A 67 5.971 -5.537 -15.869 1.00 74.44 C ATOM 133 CD ARG A 67 7.191 -5.829 -16.728 1.00 5.01 C ATOM 134 NE ARG A 67 8.428 -5.786 -15.953 1.00 25.23 N ATOM 135 CZ ARG A 67 9.607 -6.174 -16.427 1.00 50.15 C ATOM 136 NH1 ARG A 67 9.708 -6.630 -17.668 1.00 70.42 N ATOM 137 NH2 ARG A 67 10.688 -6.105 -15.661 1.00 13.23 N ATOM 0 H ARG A 67 3.927 -8.652 -14.410 1.00 61.30 H new ATOM 0 HA ARG A 67 4.486 -6.278 -13.381 1.00 25.41 H new ATOM 0 HB2 ARG A 67 6.183 -7.277 -14.641 1.00 3.32 H new ATOM 0 HB3 ARG A 67 5.159 -7.509 -16.044 1.00 3.32 H new ATOM 0 HG2 ARG A 67 5.203 -5.057 -16.476 1.00 74.44 H new ATOM 0 HG3 ARG A 67 6.239 -4.834 -15.081 1.00 74.44 H new ATOM 0 HD2 ARG A 67 7.085 -6.812 -17.187 1.00 5.01 H new ATOM 0 HD3 ARG A 67 7.246 -5.103 -17.539 1.00 5.01 H new ATOM 0 HE ARG A 67 8.384 -5.439 -14.995 1.00 25.23 H new ATOM 0 HH11 ARG A 67 8.880 -6.683 -18.261 1.00 70.42 H new ATOM 0 HH12 ARG A 67 10.614 -6.927 -18.030 1.00 70.42 H new ATOM 0 HH21 ARG A 67 10.615 -5.754 -14.706 1.00 13.23 H new ATOM 0 HH22 ARG A 67 11.592 -6.403 -16.027 1.00 13.23 H new ATOM 151 N ALA A 68 2.495 -5.783 -15.950 1.00 3.45 N ATOM 152 CA ALA A 68 1.636 -4.799 -16.597 1.00 64.24 C ATOM 153 C ALA A 68 0.762 -4.077 -15.578 1.00 21.33 C ATOM 154 O ALA A 68 0.779 -2.849 -15.488 1.00 73.44 O ATOM 155 CB ALA A 68 0.773 -5.469 -17.656 1.00 53.31 C ATOM 0 H ALA A 68 2.394 -6.733 -16.309 1.00 3.45 H new ATOM 0 HA ALA A 68 2.273 -4.057 -17.078 1.00 64.24 H new ATOM 0 HB1 ALA A 68 0.136 -4.723 -18.132 1.00 53.31 H new ATOM 0 HB2 ALA A 68 1.413 -5.932 -18.407 1.00 53.31 H new ATOM 0 HB3 ALA A 68 0.151 -6.232 -17.189 1.00 53.31 H new ATOM 161 N LYS A 69 -0.002 -4.847 -14.810 1.00 70.02 N ATOM 162 CA LYS A 69 -0.884 -4.282 -13.796 1.00 4.24 C ATOM 163 C LYS A 69 -0.109 -3.371 -12.848 1.00 52.24 C ATOM 164 O LYS A 69 -0.583 -2.297 -12.479 1.00 53.12 O ATOM 165 CB LYS A 69 -1.565 -5.399 -13.002 1.00 64.43 C ATOM 166 CG LYS A 69 -3.063 -5.209 -12.847 1.00 54.22 C ATOM 167 CD LYS A 69 -3.836 -5.982 -13.902 1.00 71.34 C ATOM 168 CE LYS A 69 -5.127 -6.557 -13.339 1.00 25.23 C ATOM 169 NZ LYS A 69 -6.267 -5.611 -13.488 1.00 21.22 N ATOM 0 H LYS A 69 -0.028 -5.865 -14.871 1.00 70.02 H new ATOM 0 HA LYS A 69 -1.645 -3.689 -14.303 1.00 4.24 H new ATOM 0 HB2 LYS A 69 -1.378 -6.352 -13.497 1.00 64.43 H new ATOM 0 HB3 LYS A 69 -1.111 -5.459 -12.013 1.00 64.43 H new ATOM 0 HG2 LYS A 69 -3.372 -5.538 -11.855 1.00 54.22 H new ATOM 0 HG3 LYS A 69 -3.306 -4.149 -12.921 1.00 54.22 H new ATOM 0 HD2 LYS A 69 -4.065 -5.325 -14.741 1.00 71.34 H new ATOM 0 HD3 LYS A 69 -3.216 -6.790 -14.290 1.00 71.34 H new ATOM 0 HE2 LYS A 69 -5.361 -7.491 -13.849 1.00 25.23 H new ATOM 0 HE3 LYS A 69 -4.989 -6.796 -12.285 1.00 25.23 H new ATOM 0 HZ1 LYS A 69 -7.128 -6.040 -13.092 1.00 21.22 H new ATOM 0 HZ2 LYS A 69 -6.055 -4.729 -12.980 1.00 21.22 H new ATOM 0 HZ3 LYS A 69 -6.416 -5.403 -14.496 1.00 21.22 H new ATOM 183 N ALA A 70 1.085 -3.806 -12.460 1.00 71.40 N ATOM 184 CA ALA A 70 1.926 -3.028 -11.559 1.00 71.20 C ATOM 185 C ALA A 70 2.116 -1.606 -12.076 1.00 74.20 C ATOM 186 O ALA A 70 1.720 -0.641 -11.423 1.00 24.32 O ATOM 187 CB ALA A 70 3.274 -3.709 -11.375 1.00 70.33 C ATOM 0 H ALA A 70 1.492 -4.693 -12.756 1.00 71.40 H new ATOM 0 HA ALA A 70 1.425 -2.971 -10.593 1.00 71.20 H new ATOM 0 HB1 ALA A 70 3.892 -3.117 -10.700 1.00 70.33 H new ATOM 0 HB2 ALA A 70 3.125 -4.703 -10.953 1.00 70.33 H new ATOM 0 HB3 ALA A 70 3.773 -3.796 -12.340 1.00 70.33 H new ATOM 193 N GLU A 71 2.723 -1.485 -13.252 1.00 62.12 N ATOM 194 CA GLU A 71 2.966 -0.180 -13.855 1.00 2.21 C ATOM 195 C GLU A 71 1.678 0.635 -13.925 1.00 1.43 C ATOM 196 O GLU A 71 1.702 1.861 -13.823 1.00 53.52 O ATOM 197 CB GLU A 71 3.556 -0.343 -15.257 1.00 42.33 C ATOM 198 CG GLU A 71 4.632 -1.412 -15.344 1.00 44.34 C ATOM 199 CD GLU A 71 5.597 -1.365 -14.176 1.00 4.43 C ATOM 200 OE1 GLU A 71 5.143 -1.525 -13.024 1.00 24.13 O ATOM 201 OE2 GLU A 71 6.808 -1.167 -14.414 1.00 75.40 O ATOM 0 H GLU A 71 3.055 -2.274 -13.806 1.00 62.12 H new ATOM 0 HA GLU A 71 3.680 0.354 -13.228 1.00 2.21 H new ATOM 0 HB2 GLU A 71 2.754 -0.589 -15.953 1.00 42.33 H new ATOM 0 HB3 GLU A 71 3.976 0.610 -15.578 1.00 42.33 H new ATOM 0 HG2 GLU A 71 4.161 -2.394 -15.382 1.00 44.34 H new ATOM 0 HG3 GLU A 71 5.187 -1.289 -16.274 1.00 44.34 H new ATOM 208 N GLU A 72 0.556 -0.056 -14.099 1.00 51.44 N ATOM 209 CA GLU A 72 -0.742 0.604 -14.184 1.00 45.43 C ATOM 210 C GLU A 72 -1.135 1.206 -12.838 1.00 41.23 C ATOM 211 O GLU A 72 -1.602 2.343 -12.767 1.00 64.34 O ATOM 212 CB GLU A 72 -1.813 -0.386 -14.645 1.00 51.34 C ATOM 213 CG GLU A 72 -1.776 -0.672 -16.137 1.00 40.22 C ATOM 214 CD GLU A 72 -2.088 0.554 -16.974 1.00 60.41 C ATOM 215 OE1 GLU A 72 -3.271 0.950 -17.026 1.00 11.41 O ATOM 216 OE2 GLU A 72 -1.150 1.115 -17.577 1.00 50.42 O ATOM 0 H GLU A 72 0.519 -1.072 -14.184 1.00 51.44 H new ATOM 0 HA GLU A 72 -0.664 1.410 -14.914 1.00 45.43 H new ATOM 0 HB2 GLU A 72 -1.689 -1.322 -14.101 1.00 51.34 H new ATOM 0 HB3 GLU A 72 -2.796 0.007 -14.383 1.00 51.34 H new ATOM 0 HG2 GLU A 72 -0.790 -1.050 -16.406 1.00 40.22 H new ATOM 0 HG3 GLU A 72 -2.493 -1.459 -16.370 1.00 40.22 H new ATOM 223 N MET A 73 -0.943 0.435 -11.773 1.00 73.32 N ATOM 224 CA MET A 73 -1.277 0.891 -10.429 1.00 54.52 C ATOM 225 C MET A 73 -0.541 2.185 -10.096 1.00 11.20 C ATOM 226 O MET A 73 -1.082 3.064 -9.424 1.00 14.12 O ATOM 227 CB MET A 73 -0.930 -0.186 -9.400 1.00 73.12 C ATOM 228 CG MET A 73 -1.729 -1.468 -9.570 1.00 64.53 C ATOM 229 SD MET A 73 -3.501 -1.170 -9.713 1.00 10.53 S ATOM 230 CE MET A 73 -3.758 -1.484 -11.457 1.00 53.21 C ATOM 0 H MET A 73 -0.558 -0.509 -11.815 1.00 73.32 H new ATOM 0 HA MET A 73 -2.349 1.084 -10.394 1.00 54.52 H new ATOM 0 HB2 MET A 73 0.133 -0.417 -9.473 1.00 73.12 H new ATOM 0 HB3 MET A 73 -1.102 0.210 -8.399 1.00 73.12 H new ATOM 0 HG2 MET A 73 -1.380 -1.993 -10.459 1.00 64.53 H new ATOM 0 HG3 MET A 73 -1.542 -2.123 -8.719 1.00 64.53 H new ATOM 0 HE1 MET A 73 -4.768 -1.863 -11.614 1.00 53.21 H new ATOM 0 HE2 MET A 73 -3.627 -0.558 -12.017 1.00 53.21 H new ATOM 0 HE3 MET A 73 -3.036 -2.223 -11.804 1.00 53.21 H new ATOM 240 N LEU A 74 0.695 2.296 -10.569 1.00 62.33 N ATOM 241 CA LEU A 74 1.506 3.483 -10.321 1.00 62.43 C ATOM 242 C LEU A 74 1.132 4.608 -11.280 1.00 52.22 C ATOM 243 O LEU A 74 0.950 5.754 -10.868 1.00 22.30 O ATOM 244 CB LEU A 74 2.992 3.148 -10.465 1.00 0.35 C ATOM 245 CG LEU A 74 3.423 1.773 -9.953 1.00 51.22 C ATOM 246 CD1 LEU A 74 4.746 1.362 -10.579 1.00 63.53 C ATOM 247 CD2 LEU A 74 3.527 1.777 -8.435 1.00 44.41 C ATOM 0 H LEU A 74 1.158 1.578 -11.127 1.00 62.33 H new ATOM 0 HA LEU A 74 1.312 3.819 -9.302 1.00 62.43 H new ATOM 0 HB2 LEU A 74 3.260 3.221 -11.519 1.00 0.35 H new ATOM 0 HB3 LEU A 74 3.568 3.907 -9.936 1.00 0.35 H new ATOM 0 HG LEU A 74 2.665 1.045 -10.243 1.00 51.22 H new ATOM 0 HD11 LEU A 74 5.037 0.381 -10.203 1.00 63.53 H new ATOM 0 HD12 LEU A 74 4.638 1.318 -11.663 1.00 63.53 H new ATOM 0 HD13 LEU A 74 5.513 2.092 -10.321 1.00 63.53 H new ATOM 0 HD21 LEU A 74 3.835 0.790 -8.089 1.00 44.41 H new ATOM 0 HD22 LEU A 74 4.264 2.517 -8.123 1.00 44.41 H new ATOM 0 HD23 LEU A 74 2.557 2.026 -8.005 1.00 44.41 H new ATOM 259 N SER A 75 1.016 4.273 -12.561 1.00 51.13 N ATOM 260 CA SER A 75 0.664 5.256 -13.580 1.00 23.14 C ATOM 261 C SER A 75 -0.651 5.948 -13.236 1.00 33.24 C ATOM 262 O SER A 75 -0.758 7.173 -13.301 1.00 73.41 O ATOM 263 CB SER A 75 0.558 4.585 -14.951 1.00 13.25 C ATOM 264 OG SER A 75 0.532 5.549 -15.989 1.00 60.01 O ATOM 0 H SER A 75 1.161 3.329 -12.918 1.00 51.13 H new ATOM 0 HA SER A 75 1.452 6.008 -13.612 1.00 23.14 H new ATOM 0 HB2 SER A 75 1.403 3.912 -15.096 1.00 13.25 H new ATOM 0 HB3 SER A 75 -0.345 3.976 -14.993 1.00 13.25 H new ATOM 0 HG SER A 75 0.465 5.095 -16.855 1.00 60.01 H new ATOM 270 N LYS A 76 -1.652 5.154 -12.869 1.00 25.14 N ATOM 271 CA LYS A 76 -2.961 5.687 -12.512 1.00 51.15 C ATOM 272 C LYS A 76 -2.839 6.749 -11.424 1.00 24.30 C ATOM 273 O LYS A 76 -3.723 7.589 -11.263 1.00 10.04 O ATOM 274 CB LYS A 76 -3.882 4.560 -12.039 1.00 41.13 C ATOM 275 CG LYS A 76 -3.481 3.970 -10.699 1.00 32.35 C ATOM 276 CD LYS A 76 -4.674 3.367 -9.976 1.00 31.13 C ATOM 277 CE LYS A 76 -4.907 1.923 -10.393 1.00 73.11 C ATOM 278 NZ LYS A 76 -6.325 1.679 -10.777 1.00 32.51 N ATOM 0 H LYS A 76 -1.581 4.138 -12.811 1.00 25.14 H new ATOM 0 HA LYS A 76 -3.391 6.150 -13.400 1.00 51.15 H new ATOM 0 HB2 LYS A 76 -4.901 4.940 -11.969 1.00 41.13 H new ATOM 0 HB3 LYS A 76 -3.888 3.768 -12.788 1.00 41.13 H new ATOM 0 HG2 LYS A 76 -2.721 3.204 -10.851 1.00 32.35 H new ATOM 0 HG3 LYS A 76 -3.032 4.746 -10.078 1.00 32.35 H new ATOM 0 HD2 LYS A 76 -4.510 3.414 -8.899 1.00 31.13 H new ATOM 0 HD3 LYS A 76 -5.566 3.957 -10.189 1.00 31.13 H new ATOM 0 HE2 LYS A 76 -4.256 1.678 -11.232 1.00 73.11 H new ATOM 0 HE3 LYS A 76 -4.633 1.259 -9.573 1.00 73.11 H new ATOM 0 HZ1 LYS A 76 -6.443 0.684 -11.055 1.00 32.51 H new ATOM 0 HZ2 LYS A 76 -6.945 1.889 -9.968 1.00 32.51 H new ATOM 0 HZ3 LYS A 76 -6.579 2.294 -11.576 1.00 32.51 H new ATOM 292 N GLN A 77 -1.737 6.704 -10.682 1.00 1.32 N ATOM 293 CA GLN A 77 -1.500 7.663 -9.609 1.00 42.54 C ATOM 294 C GLN A 77 -1.282 9.065 -10.171 1.00 21.32 C ATOM 295 O GLN A 77 -1.126 9.243 -11.379 1.00 74.40 O ATOM 296 CB GLN A 77 -0.288 7.241 -8.777 1.00 71.41 C ATOM 297 CG GLN A 77 -0.339 5.791 -8.322 1.00 3.12 C ATOM 298 CD GLN A 77 -1.503 5.512 -7.392 1.00 22.14 C ATOM 299 OE1 GLN A 77 -2.170 6.433 -6.920 1.00 31.12 O ATOM 300 NE2 GLN A 77 -1.753 4.236 -7.123 1.00 31.24 N ATOM 0 H GLN A 77 -0.995 6.015 -10.804 1.00 1.32 H new ATOM 0 HA GLN A 77 -2.383 7.680 -8.970 1.00 42.54 H new ATOM 0 HB2 GLN A 77 0.617 7.398 -9.363 1.00 71.41 H new ATOM 0 HB3 GLN A 77 -0.216 7.886 -7.901 1.00 71.41 H new ATOM 0 HG2 GLN A 77 -0.413 5.143 -9.195 1.00 3.12 H new ATOM 0 HG3 GLN A 77 0.593 5.540 -7.816 1.00 3.12 H new ATOM 0 HE21 GLN A 77 -1.174 3.505 -7.536 1.00 31.24 H new ATOM 0 HE22 GLN A 77 -2.524 3.987 -6.503 1.00 31.24 H new ATOM 309 N ARG A 78 -1.272 10.056 -9.286 1.00 52.30 N ATOM 310 CA ARG A 78 -1.075 11.442 -9.694 1.00 10.13 C ATOM 311 C ARG A 78 0.288 11.954 -9.238 1.00 1.33 C ATOM 312 O ARG A 78 0.916 12.768 -9.916 1.00 12.43 O ATOM 313 CB ARG A 78 -2.183 12.328 -9.120 1.00 24.54 C ATOM 314 CG ARG A 78 -3.551 11.665 -9.115 1.00 4.34 C ATOM 315 CD ARG A 78 -4.111 11.534 -10.522 1.00 71.11 C ATOM 316 NE ARG A 78 -5.557 11.739 -10.557 1.00 44.41 N ATOM 317 CZ ARG A 78 -6.273 11.731 -11.675 1.00 73.35 C ATOM 318 NH1 ARG A 78 -5.682 11.527 -12.844 1.00 44.24 N ATOM 319 NH2 ARG A 78 -7.585 11.925 -11.626 1.00 1.31 N ATOM 0 H ARG A 78 -1.398 9.925 -8.282 1.00 52.30 H new ATOM 0 HA ARG A 78 -1.114 11.483 -10.783 1.00 10.13 H new ATOM 0 HB2 ARG A 78 -1.921 12.608 -8.100 1.00 24.54 H new ATOM 0 HB3 ARG A 78 -2.237 13.249 -9.700 1.00 24.54 H new ATOM 0 HG2 ARG A 78 -3.477 10.678 -8.658 1.00 4.34 H new ATOM 0 HG3 ARG A 78 -4.237 12.249 -8.502 1.00 4.34 H new ATOM 0 HD2 ARG A 78 -3.626 12.260 -11.174 1.00 71.11 H new ATOM 0 HD3 ARG A 78 -3.875 10.545 -10.915 1.00 71.11 H new ATOM 0 HE ARG A 78 -6.043 11.897 -9.674 1.00 44.41 H new ATOM 0 HH11 ARG A 78 -4.674 11.376 -12.886 1.00 44.24 H new ATOM 0 HH12 ARG A 78 -6.235 11.521 -13.701 1.00 44.24 H new ATOM 0 HH21 ARG A 78 -8.044 12.081 -10.729 1.00 1.31 H new ATOM 0 HH22 ARG A 78 -8.134 11.919 -12.486 1.00 1.31 H new ATOM 333 N HIS A 79 0.740 11.472 -8.084 1.00 41.33 N ATOM 334 CA HIS A 79 2.029 11.881 -7.537 1.00 50.24 C ATOM 335 C HIS A 79 3.176 11.339 -8.385 1.00 54.24 C ATOM 336 O HIS A 79 2.952 10.720 -9.426 1.00 2.11 O ATOM 337 CB HIS A 79 2.172 11.395 -6.095 1.00 1.12 C ATOM 338 CG HIS A 79 0.865 11.263 -5.375 1.00 4.21 C ATOM 339 ND1 HIS A 79 0.604 10.258 -4.467 1.00 42.44 N ATOM 340 CD2 HIS A 79 -0.257 12.018 -5.432 1.00 22.15 C ATOM 341 CE1 HIS A 79 -0.623 10.400 -3.998 1.00 64.33 C ATOM 342 NE2 HIS A 79 -1.167 11.460 -4.567 1.00 44.42 N ATOM 0 H HIS A 79 0.233 10.798 -7.510 1.00 41.33 H new ATOM 0 HA HIS A 79 2.073 12.970 -7.552 1.00 50.24 H new ATOM 0 HB2 HIS A 79 2.677 10.429 -6.094 1.00 1.12 H new ATOM 0 HB3 HIS A 79 2.810 12.089 -5.548 1.00 1.12 H new ATOM 0 HD2 HIS A 79 -0.409 12.895 -6.043 1.00 22.15 H new ATOM 0 HE1 HIS A 79 -1.100 9.758 -3.272 1.00 64.33 H new ATOM 0 HE2 HIS A 79 -2.110 11.808 -4.393 1.00 44.42 H new ATOM 350 N ASP A 80 4.402 11.577 -7.934 1.00 62.32 N ATOM 351 CA ASP A 80 5.584 11.112 -8.651 1.00 40.13 C ATOM 352 C ASP A 80 6.498 10.309 -7.730 1.00 53.25 C ATOM 353 O ASP A 80 7.119 10.859 -6.822 1.00 52.21 O ATOM 354 CB ASP A 80 6.348 12.299 -9.241 1.00 24.43 C ATOM 355 CG ASP A 80 5.434 13.288 -9.936 1.00 65.05 C ATOM 356 OD1 ASP A 80 4.791 14.096 -9.235 1.00 24.04 O ATOM 357 OD2 ASP A 80 5.362 13.254 -11.183 1.00 34.21 O ATOM 0 H ASP A 80 4.604 12.089 -7.075 1.00 62.32 H new ATOM 0 HA ASP A 80 5.255 10.462 -9.462 1.00 40.13 H new ATOM 0 HB2 ASP A 80 6.892 12.809 -8.446 1.00 24.43 H new ATOM 0 HB3 ASP A 80 7.090 11.933 -9.951 1.00 24.43 H new ATOM 362 N GLY A 81 6.574 9.004 -7.972 1.00 34.24 N ATOM 363 CA GLY A 81 7.412 8.146 -7.155 1.00 45.20 C ATOM 364 C GLY A 81 6.639 6.999 -6.535 1.00 43.12 C ATOM 365 O GLY A 81 7.099 6.377 -5.578 1.00 44.21 O ATOM 0 H GLY A 81 6.070 8.526 -8.719 1.00 34.24 H new ATOM 0 HA2 GLY A 81 8.221 7.746 -7.766 1.00 45.20 H new ATOM 0 HA3 GLY A 81 7.872 8.739 -6.365 1.00 45.20 H new ATOM 369 N ALA A 82 5.460 6.719 -7.081 1.00 2.13 N ATOM 370 CA ALA A 82 4.622 5.639 -6.575 1.00 51.13 C ATOM 371 C ALA A 82 5.342 4.298 -6.663 1.00 4.03 C ATOM 372 O ALA A 82 5.900 3.948 -7.703 1.00 5.41 O ATOM 373 CB ALA A 82 3.309 5.586 -7.343 1.00 44.43 C ATOM 0 H ALA A 82 5.064 7.225 -7.873 1.00 2.13 H new ATOM 0 HA ALA A 82 4.409 5.839 -5.525 1.00 51.13 H new ATOM 0 HB1 ALA A 82 2.693 4.775 -6.955 1.00 44.43 H new ATOM 0 HB2 ALA A 82 2.780 6.532 -7.225 1.00 44.43 H new ATOM 0 HB3 ALA A 82 3.512 5.413 -8.400 1.00 44.43 H new ATOM 379 N PHE A 83 5.327 3.551 -5.564 1.00 21.21 N ATOM 380 CA PHE A 83 5.981 2.248 -5.516 1.00 52.11 C ATOM 381 C PHE A 83 4.983 1.152 -5.155 1.00 72.33 C ATOM 382 O PHE A 83 3.964 1.410 -4.513 1.00 40.31 O ATOM 383 CB PHE A 83 7.126 2.265 -4.501 1.00 52.32 C ATOM 384 CG PHE A 83 6.665 2.159 -3.076 1.00 31.03 C ATOM 385 CD1 PHE A 83 6.227 0.948 -2.564 1.00 1.23 C ATOM 386 CD2 PHE A 83 6.669 3.270 -2.248 1.00 31.03 C ATOM 387 CE1 PHE A 83 5.803 0.847 -1.252 1.00 74.32 C ATOM 388 CE2 PHE A 83 6.246 3.174 -0.935 1.00 41.54 C ATOM 389 CZ PHE A 83 5.811 1.962 -0.437 1.00 62.24 C ATOM 0 H PHE A 83 4.869 3.825 -4.695 1.00 21.21 H new ATOM 0 HA PHE A 83 6.385 2.036 -6.506 1.00 52.11 H new ATOM 0 HB2 PHE A 83 7.805 1.440 -4.717 1.00 52.32 H new ATOM 0 HB3 PHE A 83 7.695 3.187 -4.623 1.00 52.32 H new ATOM 0 HD1 PHE A 83 6.217 0.073 -3.197 1.00 1.23 H new ATOM 0 HD2 PHE A 83 7.006 4.221 -2.632 1.00 31.03 H new ATOM 0 HE1 PHE A 83 5.466 -0.103 -0.865 1.00 74.32 H new ATOM 0 HE2 PHE A 83 6.256 4.047 -0.299 1.00 41.54 H new ATOM 0 HZ PHE A 83 5.478 1.886 0.587 1.00 62.24 H new ATOM 399 N LEU A 84 5.282 -0.073 -5.573 1.00 63.22 N ATOM 400 CA LEU A 84 4.412 -1.211 -5.295 1.00 41.43 C ATOM 401 C LEU A 84 5.191 -2.520 -5.357 1.00 63.43 C ATOM 402 O LEU A 84 5.770 -2.861 -6.389 1.00 73.55 O ATOM 403 CB LEU A 84 3.252 -1.246 -6.292 1.00 64.21 C ATOM 404 CG LEU A 84 2.468 -2.557 -6.362 1.00 54.44 C ATOM 405 CD1 LEU A 84 1.081 -2.318 -6.939 1.00 14.04 C ATOM 406 CD2 LEU A 84 3.222 -3.586 -7.191 1.00 73.14 C ATOM 0 H LEU A 84 6.121 -0.304 -6.106 1.00 63.22 H new ATOM 0 HA LEU A 84 4.014 -1.095 -4.287 1.00 41.43 H new ATOM 0 HB2 LEU A 84 2.558 -0.444 -6.040 1.00 64.21 H new ATOM 0 HB3 LEU A 84 3.645 -1.027 -7.285 1.00 64.21 H new ATOM 0 HG LEU A 84 2.357 -2.946 -5.350 1.00 54.44 H new ATOM 0 HD11 LEU A 84 0.537 -3.262 -6.982 1.00 14.04 H new ATOM 0 HD12 LEU A 84 0.540 -1.615 -6.306 1.00 14.04 H new ATOM 0 HD13 LEU A 84 1.171 -1.906 -7.944 1.00 14.04 H new ATOM 0 HD21 LEU A 84 2.649 -4.512 -7.230 1.00 73.14 H new ATOM 0 HD22 LEU A 84 3.365 -3.205 -8.202 1.00 73.14 H new ATOM 0 HD23 LEU A 84 4.193 -3.779 -6.736 1.00 73.14 H new ATOM 418 N ILE A 85 5.200 -3.251 -4.247 1.00 42.43 N ATOM 419 CA ILE A 85 5.905 -4.524 -4.177 1.00 64.30 C ATOM 420 C ILE A 85 4.966 -5.689 -4.470 1.00 62.50 C ATOM 421 O ILE A 85 4.021 -5.941 -3.723 1.00 32.04 O ATOM 422 CB ILE A 85 6.551 -4.735 -2.795 1.00 31.03 C ATOM 423 CG1 ILE A 85 7.636 -3.684 -2.549 1.00 34.43 C ATOM 424 CG2 ILE A 85 7.131 -6.138 -2.689 1.00 53.41 C ATOM 425 CD1 ILE A 85 8.341 -3.843 -1.220 1.00 34.41 C ATOM 0 H ILE A 85 4.727 -2.983 -3.384 1.00 42.43 H new ATOM 0 HA ILE A 85 6.689 -4.493 -4.934 1.00 64.30 H new ATOM 0 HB ILE A 85 5.782 -4.622 -2.030 1.00 31.03 H new ATOM 0 HG12 ILE A 85 8.372 -3.739 -3.351 1.00 34.43 H new ATOM 0 HG13 ILE A 85 7.187 -2.692 -2.597 1.00 34.43 H new ATOM 0 HG21 ILE A 85 7.584 -6.271 -1.707 1.00 53.41 H new ATOM 0 HG22 ILE A 85 6.336 -6.871 -2.825 1.00 53.41 H new ATOM 0 HG23 ILE A 85 7.889 -6.278 -3.460 1.00 53.41 H new ATOM 0 HD11 ILE A 85 9.097 -3.065 -1.113 1.00 34.41 H new ATOM 0 HD12 ILE A 85 7.616 -3.758 -0.411 1.00 34.41 H new ATOM 0 HD13 ILE A 85 8.820 -4.821 -1.177 1.00 34.41 H new ATOM 437 N ARG A 86 5.234 -6.398 -5.562 1.00 24.54 N ATOM 438 CA ARG A 86 4.414 -7.538 -5.953 1.00 53.03 C ATOM 439 C ARG A 86 5.164 -8.849 -5.735 1.00 15.24 C ATOM 440 O ARG A 86 6.392 -8.887 -5.783 1.00 5.24 O ATOM 441 CB ARG A 86 3.999 -7.414 -7.420 1.00 75.35 C ATOM 442 CG ARG A 86 5.172 -7.272 -8.376 1.00 22.33 C ATOM 443 CD ARG A 86 5.441 -5.815 -8.715 1.00 50.42 C ATOM 444 NE ARG A 86 5.606 -5.609 -10.152 1.00 12.54 N ATOM 445 CZ ARG A 86 6.749 -5.812 -10.797 1.00 30.12 C ATOM 446 NH1 ARG A 86 7.822 -6.226 -10.137 1.00 0.52 N ATOM 447 NH2 ARG A 86 6.820 -5.603 -12.105 1.00 42.41 N ATOM 0 H ARG A 86 6.013 -6.203 -6.191 1.00 24.54 H new ATOM 0 HA ARG A 86 3.521 -7.543 -5.328 1.00 53.03 H new ATOM 0 HB2 ARG A 86 3.418 -8.293 -7.700 1.00 75.35 H new ATOM 0 HB3 ARG A 86 3.344 -6.550 -7.531 1.00 75.35 H new ATOM 0 HG2 ARG A 86 6.063 -7.713 -7.929 1.00 22.33 H new ATOM 0 HG3 ARG A 86 4.966 -7.828 -9.291 1.00 22.33 H new ATOM 0 HD2 ARG A 86 4.617 -5.200 -8.353 1.00 50.42 H new ATOM 0 HD3 ARG A 86 6.339 -5.482 -8.195 1.00 50.42 H new ATOM 0 HE ARG A 86 4.799 -5.292 -10.689 1.00 12.54 H new ATOM 0 HH11 ARG A 86 7.771 -6.389 -9.131 1.00 0.52 H new ATOM 0 HH12 ARG A 86 8.699 -6.381 -10.635 1.00 0.52 H new ATOM 0 HH21 ARG A 86 5.996 -5.286 -12.616 1.00 42.41 H new ATOM 0 HH22 ARG A 86 7.698 -5.759 -12.599 1.00 42.41 H new ATOM 461 N GLU A 87 4.414 -9.920 -5.494 1.00 23.22 N ATOM 462 CA GLU A 87 5.009 -11.232 -5.266 1.00 61.04 C ATOM 463 C GLU A 87 4.488 -12.249 -6.278 1.00 14.32 C ATOM 464 O GLU A 87 3.333 -12.183 -6.701 1.00 24.52 O ATOM 465 CB GLU A 87 4.711 -11.712 -3.844 1.00 62.14 C ATOM 466 CG GLU A 87 5.464 -12.974 -3.458 1.00 4.34 C ATOM 467 CD GLU A 87 4.733 -13.792 -2.411 1.00 42.01 C ATOM 468 OE1 GLU A 87 3.504 -13.967 -2.548 1.00 0.53 O ATOM 469 OE2 GLU A 87 5.389 -14.257 -1.456 1.00 62.30 O ATOM 0 H GLU A 87 3.395 -9.905 -5.452 1.00 23.22 H new ATOM 0 HA GLU A 87 6.088 -11.140 -5.392 1.00 61.04 H new ATOM 0 HB2 GLU A 87 4.964 -10.918 -3.141 1.00 62.14 H new ATOM 0 HB3 GLU A 87 3.641 -11.894 -3.748 1.00 62.14 H new ATOM 0 HG2 GLU A 87 5.621 -13.585 -4.347 1.00 4.34 H new ATOM 0 HG3 GLU A 87 6.450 -12.703 -3.079 1.00 4.34 H new ATOM 476 N SER A 88 5.347 -13.187 -6.662 1.00 20.24 N ATOM 477 CA SER A 88 4.976 -14.215 -7.627 1.00 35.44 C ATOM 478 C SER A 88 3.647 -14.862 -7.247 1.00 53.22 C ATOM 479 O SER A 88 3.083 -14.573 -6.192 1.00 43.11 O ATOM 480 CB SER A 88 6.068 -15.282 -7.713 1.00 25.41 C ATOM 481 OG SER A 88 6.909 -15.062 -8.832 1.00 5.21 O ATOM 0 H SER A 88 6.305 -13.256 -6.320 1.00 20.24 H new ATOM 0 HA SER A 88 4.864 -13.740 -8.602 1.00 35.44 H new ATOM 0 HB2 SER A 88 6.663 -15.272 -6.800 1.00 25.41 H new ATOM 0 HB3 SER A 88 5.611 -16.269 -7.786 1.00 25.41 H new ATOM 0 HG SER A 88 7.600 -15.756 -8.864 1.00 5.21 H new ATOM 487 N GLU A 89 3.152 -15.738 -8.116 1.00 45.03 N ATOM 488 CA GLU A 89 1.889 -16.425 -7.873 1.00 4.10 C ATOM 489 C GLU A 89 2.123 -17.764 -7.179 1.00 42.21 C ATOM 490 O GLU A 89 1.460 -18.089 -6.194 1.00 52.15 O ATOM 491 CB GLU A 89 1.141 -16.644 -9.189 1.00 73.03 C ATOM 492 CG GLU A 89 1.719 -15.861 -10.356 1.00 52.10 C ATOM 493 CD GLU A 89 0.771 -15.791 -11.538 1.00 4.41 C ATOM 494 OE1 GLU A 89 -0.236 -15.058 -11.449 1.00 44.41 O ATOM 495 OE2 GLU A 89 1.038 -16.469 -12.552 1.00 52.12 O ATOM 0 H GLU A 89 3.606 -15.988 -8.994 1.00 45.03 H new ATOM 0 HA GLU A 89 1.283 -15.798 -7.219 1.00 4.10 H new ATOM 0 HB2 GLU A 89 1.155 -17.706 -9.433 1.00 73.03 H new ATOM 0 HB3 GLU A 89 0.097 -16.362 -9.055 1.00 73.03 H new ATOM 0 HG2 GLU A 89 1.959 -14.850 -10.027 1.00 52.10 H new ATOM 0 HG3 GLU A 89 2.654 -16.324 -10.672 1.00 52.10 H new ATOM 502 N SER A 90 3.071 -18.536 -7.701 1.00 34.53 N ATOM 503 CA SER A 90 3.390 -19.842 -7.135 1.00 74.10 C ATOM 504 C SER A 90 4.842 -19.893 -6.671 1.00 42.11 C ATOM 505 O SER A 90 5.507 -20.922 -6.789 1.00 1.33 O ATOM 506 CB SER A 90 3.132 -20.944 -8.165 1.00 23.15 C ATOM 507 OG SER A 90 1.873 -21.558 -7.950 1.00 65.51 O ATOM 0 H SER A 90 3.631 -18.280 -8.514 1.00 34.53 H new ATOM 0 HA SER A 90 2.745 -20.004 -6.271 1.00 74.10 H new ATOM 0 HB2 SER A 90 3.168 -20.523 -9.170 1.00 23.15 H new ATOM 0 HB3 SER A 90 3.921 -21.694 -8.105 1.00 23.15 H new ATOM 0 HG SER A 90 1.731 -22.257 -8.622 1.00 65.51 H new ATOM 513 N ALA A 91 5.328 -18.774 -6.143 1.00 53.15 N ATOM 514 CA ALA A 91 6.700 -18.690 -5.660 1.00 21.23 C ATOM 515 C ALA A 91 6.795 -17.796 -4.428 1.00 55.22 C ATOM 516 O ALA A 91 7.041 -16.593 -4.522 1.00 70.21 O ATOM 517 CB ALA A 91 7.617 -18.176 -6.760 1.00 11.34 C ATOM 0 H ALA A 91 4.791 -17.913 -6.039 1.00 53.15 H new ATOM 0 HA ALA A 91 7.020 -19.692 -5.375 1.00 21.23 H new ATOM 0 HB1 ALA A 91 8.639 -18.118 -6.385 1.00 11.34 H new ATOM 0 HB2 ALA A 91 7.581 -18.856 -7.611 1.00 11.34 H new ATOM 0 HB3 ALA A 91 7.289 -17.185 -7.073 1.00 11.34 H new ATOM 523 N PRO A 92 6.594 -18.394 -3.245 1.00 35.03 N ATOM 524 CA PRO A 92 6.651 -17.669 -1.972 1.00 31.54 C ATOM 525 C PRO A 92 8.067 -17.229 -1.619 1.00 4.41 C ATOM 526 O PRO A 92 8.940 -18.057 -1.363 1.00 21.03 O ATOM 527 CB PRO A 92 6.142 -18.696 -0.956 1.00 53.52 C ATOM 528 CG PRO A 92 6.438 -20.019 -1.574 1.00 14.42 C ATOM 529 CD PRO A 92 6.295 -19.824 -3.058 1.00 43.10 C ATOM 0 HA PRO A 92 6.066 -16.750 -2.000 1.00 31.54 H new ATOM 0 HB2 PRO A 92 6.646 -18.586 0.004 1.00 53.52 H new ATOM 0 HB3 PRO A 92 5.075 -18.575 -0.772 1.00 53.52 H new ATOM 0 HG2 PRO A 92 7.444 -20.352 -1.319 1.00 14.42 H new ATOM 0 HG3 PRO A 92 5.748 -20.782 -1.212 1.00 14.42 H new ATOM 0 HD2 PRO A 92 6.987 -20.455 -3.615 1.00 43.10 H new ATOM 0 HD3 PRO A 92 5.291 -20.073 -3.401 1.00 43.10 H new ATOM 537 N GLY A 93 8.289 -15.918 -1.607 1.00 52.51 N ATOM 538 CA GLY A 93 9.601 -15.390 -1.284 1.00 5.20 C ATOM 539 C GLY A 93 10.106 -14.412 -2.327 1.00 21.32 C ATOM 540 O GLY A 93 11.019 -13.629 -2.063 1.00 71.32 O ATOM 0 H GLY A 93 7.583 -15.212 -1.815 1.00 52.51 H new ATOM 0 HA2 GLY A 93 9.561 -14.894 -0.314 1.00 5.20 H new ATOM 0 HA3 GLY A 93 10.308 -16.214 -1.191 1.00 5.20 H new ATOM 544 N ASP A 94 9.513 -14.458 -3.514 1.00 73.24 N ATOM 545 CA ASP A 94 9.908 -13.570 -4.601 1.00 50.04 C ATOM 546 C ASP A 94 9.241 -12.206 -4.458 1.00 41.51 C ATOM 547 O ASP A 94 8.030 -12.073 -4.634 1.00 33.50 O ATOM 548 CB ASP A 94 9.545 -14.189 -5.952 1.00 64.41 C ATOM 549 CG ASP A 94 10.553 -13.851 -7.033 1.00 55.34 C ATOM 550 OD1 ASP A 94 10.858 -12.652 -7.205 1.00 44.14 O ATOM 551 OD2 ASP A 94 11.036 -14.784 -7.707 1.00 74.31 O ATOM 0 H ASP A 94 8.757 -15.101 -3.748 1.00 73.24 H new ATOM 0 HA ASP A 94 10.988 -13.434 -4.551 1.00 50.04 H new ATOM 0 HB2 ASP A 94 9.479 -15.272 -5.846 1.00 64.41 H new ATOM 0 HB3 ASP A 94 8.559 -13.838 -6.256 1.00 64.41 H new ATOM 556 N PHE A 95 10.040 -11.193 -4.137 1.00 34.14 N ATOM 557 CA PHE A 95 9.527 -9.839 -3.967 1.00 54.43 C ATOM 558 C PHE A 95 10.217 -8.872 -4.925 1.00 3.23 C ATOM 559 O PHE A 95 11.436 -8.913 -5.094 1.00 31.32 O ATOM 560 CB PHE A 95 9.724 -9.373 -2.523 1.00 51.54 C ATOM 561 CG PHE A 95 8.722 -9.950 -1.565 1.00 12.31 C ATOM 562 CD1 PHE A 95 7.404 -9.521 -1.578 1.00 63.11 C ATOM 563 CD2 PHE A 95 9.098 -10.920 -0.650 1.00 75.44 C ATOM 564 CE1 PHE A 95 6.479 -10.050 -0.698 1.00 24.43 C ATOM 565 CE2 PHE A 95 8.177 -11.454 0.232 1.00 1.40 C ATOM 566 CZ PHE A 95 6.867 -11.017 0.209 1.00 32.33 C ATOM 0 H PHE A 95 11.045 -11.285 -3.990 1.00 34.14 H new ATOM 0 HA PHE A 95 8.461 -9.850 -4.195 1.00 54.43 H new ATOM 0 HB2 PHE A 95 10.727 -9.646 -2.195 1.00 51.54 H new ATOM 0 HB3 PHE A 95 9.663 -8.285 -2.489 1.00 51.54 H new ATOM 0 HD1 PHE A 95 7.096 -8.764 -2.284 1.00 63.11 H new ATOM 0 HD2 PHE A 95 10.122 -11.263 -0.625 1.00 75.44 H new ATOM 0 HE1 PHE A 95 5.455 -9.708 -0.719 1.00 24.43 H new ATOM 0 HE2 PHE A 95 8.482 -12.212 0.938 1.00 1.40 H new ATOM 0 HZ PHE A 95 6.147 -11.431 0.899 1.00 32.33 H new ATOM 576 N SER A 96 9.429 -8.002 -5.549 1.00 22.40 N ATOM 577 CA SER A 96 9.963 -7.028 -6.493 1.00 1.41 C ATOM 578 C SER A 96 9.247 -5.688 -6.354 1.00 11.35 C ATOM 579 O SER A 96 8.018 -5.621 -6.391 1.00 55.54 O ATOM 580 CB SER A 96 9.826 -7.546 -7.926 1.00 13.51 C ATOM 581 OG SER A 96 8.500 -7.970 -8.190 1.00 13.02 O ATOM 0 H SER A 96 8.419 -7.952 -5.418 1.00 22.40 H new ATOM 0 HA SER A 96 11.019 -6.881 -6.267 1.00 1.41 H new ATOM 0 HB2 SER A 96 10.107 -6.761 -8.628 1.00 13.51 H new ATOM 0 HB3 SER A 96 10.515 -8.376 -8.084 1.00 13.51 H new ATOM 0 HG SER A 96 8.472 -8.440 -9.050 1.00 13.02 H new ATOM 587 N LEU A 97 10.024 -4.623 -6.192 1.00 43.30 N ATOM 588 CA LEU A 97 9.466 -3.283 -6.047 1.00 11.22 C ATOM 589 C LEU A 97 9.343 -2.594 -7.402 1.00 74.43 C ATOM 590 O LEU A 97 10.270 -2.624 -8.212 1.00 34.54 O ATOM 591 CB LEU A 97 10.340 -2.443 -5.113 1.00 73.32 C ATOM 592 CG LEU A 97 9.852 -1.021 -4.836 1.00 41.44 C ATOM 593 CD1 LEU A 97 10.168 -0.110 -6.013 1.00 11.13 C ATOM 594 CD2 LEU A 97 8.359 -1.016 -4.542 1.00 22.41 C ATOM 0 H LEU A 97 11.043 -4.661 -6.158 1.00 43.30 H new ATOM 0 HA LEU A 97 8.469 -3.377 -5.616 1.00 11.22 H new ATOM 0 HB2 LEU A 97 10.428 -2.967 -4.161 1.00 73.32 H new ATOM 0 HB3 LEU A 97 11.342 -2.385 -5.539 1.00 73.32 H new ATOM 0 HG LEU A 97 10.376 -0.643 -3.958 1.00 41.44 H new ATOM 0 HD11 LEU A 97 9.813 0.898 -5.798 1.00 11.13 H new ATOM 0 HD12 LEU A 97 11.245 -0.088 -6.177 1.00 11.13 H new ATOM 0 HD13 LEU A 97 9.672 -0.486 -6.908 1.00 11.13 H new ATOM 0 HD21 LEU A 97 8.030 0.005 -4.347 1.00 22.41 H new ATOM 0 HD22 LEU A 97 7.818 -1.414 -5.400 1.00 22.41 H new ATOM 0 HD23 LEU A 97 8.158 -1.635 -3.667 1.00 22.41 H new ATOM 606 N SER A 98 8.192 -1.973 -7.642 1.00 45.31 N ATOM 607 CA SER A 98 7.947 -1.278 -8.900 1.00 41.42 C ATOM 608 C SER A 98 7.668 0.203 -8.658 1.00 34.54 C ATOM 609 O SER A 98 6.631 0.568 -8.103 1.00 30.31 O ATOM 610 CB SER A 98 6.769 -1.916 -9.639 1.00 24.21 C ATOM 611 OG SER A 98 7.193 -2.518 -10.850 1.00 32.21 O ATOM 0 H SER A 98 7.415 -1.937 -6.982 1.00 45.31 H new ATOM 0 HA SER A 98 8.843 -1.365 -9.515 1.00 41.42 H new ATOM 0 HB2 SER A 98 6.299 -2.665 -9.002 1.00 24.21 H new ATOM 0 HB3 SER A 98 6.015 -1.158 -9.850 1.00 24.21 H new ATOM 0 HG SER A 98 8.128 -2.799 -10.766 1.00 32.21 H new ATOM 617 N VAL A 99 8.601 1.051 -9.078 1.00 14.15 N ATOM 618 CA VAL A 99 8.456 2.492 -8.908 1.00 32.13 C ATOM 619 C VAL A 99 8.239 3.184 -10.248 1.00 41.35 C ATOM 620 O VAL A 99 8.882 2.850 -11.244 1.00 11.01 O ATOM 621 CB VAL A 99 9.692 3.103 -8.221 1.00 15.04 C ATOM 622 CG1 VAL A 99 10.193 4.310 -8.998 1.00 53.34 C ATOM 623 CG2 VAL A 99 9.369 3.481 -6.783 1.00 13.21 C ATOM 0 H VAL A 99 9.465 0.765 -9.538 1.00 14.15 H new ATOM 0 HA VAL A 99 7.583 2.650 -8.275 1.00 32.13 H new ATOM 0 HB VAL A 99 10.485 2.355 -8.207 1.00 15.04 H new ATOM 0 HG11 VAL A 99 11.066 4.728 -8.497 1.00 53.34 H new ATOM 0 HG12 VAL A 99 10.465 4.005 -10.008 1.00 53.34 H new ATOM 0 HG13 VAL A 99 9.407 5.064 -9.046 1.00 53.34 H new ATOM 0 HG21 VAL A 99 10.253 3.911 -6.312 1.00 13.21 H new ATOM 0 HG22 VAL A 99 8.560 4.212 -6.772 1.00 13.21 H new ATOM 0 HG23 VAL A 99 9.062 2.591 -6.233 1.00 13.21 H new ATOM 633 N LYS A 100 7.329 4.152 -10.268 1.00 0.31 N ATOM 634 CA LYS A 100 7.027 4.895 -11.486 1.00 21.12 C ATOM 635 C LYS A 100 8.008 6.048 -11.677 1.00 74.54 C ATOM 636 O LYS A 100 8.303 6.787 -10.738 1.00 62.23 O ATOM 637 CB LYS A 100 5.595 5.432 -11.438 1.00 51.32 C ATOM 638 CG LYS A 100 5.278 6.418 -12.549 1.00 41.41 C ATOM 639 CD LYS A 100 3.781 6.628 -12.698 1.00 75.25 C ATOM 640 CE LYS A 100 3.360 8.009 -12.220 1.00 4.11 C ATOM 641 NZ LYS A 100 1.938 8.301 -12.549 1.00 13.11 N ATOM 0 H LYS A 100 6.787 4.441 -9.453 1.00 0.31 H new ATOM 0 HA LYS A 100 7.125 4.214 -12.331 1.00 21.12 H new ATOM 0 HB2 LYS A 100 4.900 4.595 -11.497 1.00 51.32 H new ATOM 0 HB3 LYS A 100 5.429 5.916 -10.476 1.00 51.32 H new ATOM 0 HG2 LYS A 100 5.761 7.372 -12.338 1.00 41.41 H new ATOM 0 HG3 LYS A 100 5.690 6.053 -13.490 1.00 41.41 H new ATOM 0 HD2 LYS A 100 3.497 6.502 -13.743 1.00 75.25 H new ATOM 0 HD3 LYS A 100 3.248 5.867 -12.129 1.00 75.25 H new ATOM 0 HE2 LYS A 100 3.505 8.080 -11.142 1.00 4.11 H new ATOM 0 HE3 LYS A 100 4.001 8.763 -12.678 1.00 4.11 H new ATOM 0 HZ1 LYS A 100 1.691 9.251 -12.206 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 1.804 8.259 -13.580 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 1.324 7.597 -12.091 1.00 13.11 H new ATOM 655 N PHE A 101 8.508 6.196 -12.900 1.00 32.24 N ATOM 656 CA PHE A 101 9.455 7.259 -13.214 1.00 52.23 C ATOM 657 C PHE A 101 9.158 7.865 -14.583 1.00 74.30 C ATOM 658 O PHE A 101 9.645 7.384 -15.606 1.00 14.25 O ATOM 659 CB PHE A 101 10.887 6.722 -13.182 1.00 30.21 C ATOM 660 CG PHE A 101 11.453 6.608 -11.795 1.00 44.14 C ATOM 661 CD1 PHE A 101 11.388 7.677 -10.916 1.00 71.02 C ATOM 662 CD2 PHE A 101 12.052 5.433 -11.372 1.00 31.55 C ATOM 663 CE1 PHE A 101 11.908 7.576 -9.640 1.00 32.35 C ATOM 664 CE2 PHE A 101 12.573 5.325 -10.096 1.00 0.20 C ATOM 665 CZ PHE A 101 12.502 6.398 -9.229 1.00 41.44 C ATOM 0 H PHE A 101 8.273 5.593 -13.689 1.00 32.24 H new ATOM 0 HA PHE A 101 9.350 8.039 -12.460 1.00 52.23 H new ATOM 0 HB2 PHE A 101 10.910 5.741 -13.657 1.00 30.21 H new ATOM 0 HB3 PHE A 101 11.526 7.377 -13.774 1.00 30.21 H new ATOM 0 HD1 PHE A 101 10.925 8.600 -11.232 1.00 71.02 H new ATOM 0 HD2 PHE A 101 12.113 4.592 -12.047 1.00 31.55 H new ATOM 0 HE1 PHE A 101 11.850 8.417 -8.965 1.00 32.35 H new ATOM 0 HE2 PHE A 101 13.035 4.402 -9.777 1.00 0.20 H new ATOM 0 HZ PHE A 101 12.910 6.316 -8.232 1.00 41.44 H new ATOM 675 N GLY A 102 8.353 8.923 -14.593 1.00 43.54 N ATOM 676 CA GLY A 102 8.004 9.577 -15.841 1.00 12.41 C ATOM 677 C GLY A 102 7.049 8.752 -16.680 1.00 51.24 C ATOM 678 O GLY A 102 5.965 8.390 -16.224 1.00 42.34 O ATOM 0 H GLY A 102 7.936 9.339 -13.760 1.00 43.54 H new ATOM 0 HA2 GLY A 102 7.551 10.545 -15.626 1.00 12.41 H new ATOM 0 HA3 GLY A 102 8.912 9.770 -16.413 1.00 12.41 H new ATOM 682 N ASN A 103 7.451 8.455 -17.912 1.00 3.22 N ATOM 683 CA ASN A 103 6.622 7.669 -18.818 1.00 50.11 C ATOM 684 C ASN A 103 7.067 6.210 -18.835 1.00 32.22 C ATOM 685 O ASN A 103 6.629 5.427 -19.678 1.00 65.40 O ATOM 686 CB ASN A 103 6.685 8.249 -20.232 1.00 55.35 C ATOM 687 CG ASN A 103 5.471 9.095 -20.565 1.00 14.44 C ATOM 688 OD1 ASN A 103 4.833 9.662 -19.677 1.00 3.04 O ATOM 689 ND2 ASN A 103 5.145 9.184 -21.849 1.00 11.21 N ATOM 0 H ASN A 103 8.346 8.747 -18.305 1.00 3.22 H new ATOM 0 HA ASN A 103 5.594 7.713 -18.460 1.00 50.11 H new ATOM 0 HB2 ASN A 103 7.585 8.855 -20.333 1.00 55.35 H new ATOM 0 HB3 ASN A 103 6.766 7.435 -20.952 1.00 55.35 H new ATOM 0 HD21 ASN A 103 4.338 9.739 -22.133 1.00 11.21 H new ATOM 0 HD22 ASN A 103 5.702 8.697 -22.551 1.00 11.21 H new ATOM 696 N ASP A 104 7.938 5.852 -17.898 1.00 33.12 N ATOM 697 CA ASP A 104 8.441 4.486 -17.803 1.00 51.42 C ATOM 698 C ASP A 104 8.586 4.061 -16.345 1.00 61.35 C ATOM 699 O ASP A 104 9.238 4.739 -15.552 1.00 1.14 O ATOM 700 CB ASP A 104 9.787 4.365 -18.519 1.00 51.43 C ATOM 701 CG ASP A 104 9.687 3.575 -19.809 1.00 25.40 C ATOM 702 OD1 ASP A 104 8.963 2.557 -19.827 1.00 43.11 O ATOM 703 OD2 ASP A 104 10.333 3.974 -20.800 1.00 61.24 O ATOM 0 H ASP A 104 8.311 6.488 -17.193 1.00 33.12 H new ATOM 0 HA ASP A 104 7.721 3.825 -18.285 1.00 51.42 H new ATOM 0 HB2 ASP A 104 10.171 5.362 -18.736 1.00 51.43 H new ATOM 0 HB3 ASP A 104 10.506 3.883 -17.856 1.00 51.43 H new ATOM 708 N VAL A 105 7.973 2.933 -16.000 1.00 1.03 N ATOM 709 CA VAL A 105 8.034 2.416 -14.638 1.00 11.44 C ATOM 710 C VAL A 105 9.214 1.467 -14.462 1.00 75.22 C ATOM 711 O VAL A 105 9.326 0.465 -15.168 1.00 31.11 O ATOM 712 CB VAL A 105 6.735 1.680 -14.258 1.00 44.11 C ATOM 713 CG1 VAL A 105 6.888 0.986 -12.913 1.00 65.14 C ATOM 714 CG2 VAL A 105 5.561 2.647 -14.237 1.00 44.35 C ATOM 0 H VAL A 105 7.429 2.360 -16.645 1.00 1.03 H new ATOM 0 HA VAL A 105 8.162 3.275 -13.979 1.00 11.44 H new ATOM 0 HB VAL A 105 6.536 0.919 -15.012 1.00 44.11 H new ATOM 0 HG11 VAL A 105 5.961 0.472 -12.661 1.00 65.14 H new ATOM 0 HG12 VAL A 105 7.701 0.262 -12.967 1.00 65.14 H new ATOM 0 HG13 VAL A 105 7.112 1.726 -12.145 1.00 65.14 H new ATOM 0 HG21 VAL A 105 4.652 2.110 -13.967 1.00 44.35 H new ATOM 0 HG22 VAL A 105 5.750 3.432 -13.505 1.00 44.35 H new ATOM 0 HG23 VAL A 105 5.439 3.093 -15.224 1.00 44.35 H new ATOM 724 N GLN A 106 10.090 1.789 -13.516 1.00 40.15 N ATOM 725 CA GLN A 106 11.262 0.964 -13.249 1.00 30.04 C ATOM 726 C GLN A 106 10.962 -0.074 -12.172 1.00 64.01 C ATOM 727 O GLN A 106 9.889 -0.066 -11.569 1.00 32.01 O ATOM 728 CB GLN A 106 12.440 1.839 -12.816 1.00 71.14 C ATOM 729 CG GLN A 106 12.864 2.851 -13.868 1.00 52.41 C ATOM 730 CD GLN A 106 14.095 3.636 -13.460 1.00 50.10 C ATOM 731 OE1 GLN A 106 14.555 3.543 -12.322 1.00 3.43 O ATOM 732 NE2 GLN A 106 14.636 4.415 -14.390 1.00 30.14 N ATOM 0 H GLN A 106 10.011 2.614 -12.922 1.00 40.15 H new ATOM 0 HA GLN A 106 11.525 0.442 -14.169 1.00 30.04 H new ATOM 0 HB2 GLN A 106 12.172 2.368 -11.902 1.00 71.14 H new ATOM 0 HB3 GLN A 106 13.289 1.199 -12.577 1.00 71.14 H new ATOM 0 HG2 GLN A 106 13.063 2.333 -14.806 1.00 52.41 H new ATOM 0 HG3 GLN A 106 12.042 3.542 -14.054 1.00 52.41 H new ATOM 0 HE21 GLN A 106 14.221 4.462 -15.321 1.00 30.14 H new ATOM 0 HE22 GLN A 106 15.466 4.967 -14.173 1.00 30.14 H new ATOM 741 N HIS A 107 11.918 -0.967 -11.936 1.00 21.31 N ATOM 742 CA HIS A 107 11.756 -2.012 -10.931 1.00 64.44 C ATOM 743 C HIS A 107 13.072 -2.275 -10.204 1.00 72.34 C ATOM 744 O HIS A 107 14.148 -1.959 -10.712 1.00 53.14 O ATOM 745 CB HIS A 107 11.253 -3.301 -11.582 1.00 64.31 C ATOM 746 CG HIS A 107 10.228 -3.073 -12.650 1.00 3.41 C ATOM 747 ND1 HIS A 107 8.936 -3.545 -12.566 1.00 34.23 N ATOM 748 CD2 HIS A 107 10.311 -2.415 -13.830 1.00 71.43 C ATOM 749 CE1 HIS A 107 8.268 -3.190 -13.649 1.00 30.11 C ATOM 750 NE2 HIS A 107 9.080 -2.503 -14.432 1.00 72.02 N ATOM 0 H HIS A 107 12.812 -0.988 -12.426 1.00 21.31 H new ATOM 0 HA HIS A 107 11.021 -1.671 -10.202 1.00 64.44 H new ATOM 0 HB2 HIS A 107 12.100 -3.836 -12.011 1.00 64.31 H new ATOM 0 HB3 HIS A 107 10.827 -3.944 -10.812 1.00 64.31 H new ATOM 0 HD2 HIS A 107 11.183 -1.914 -14.224 1.00 71.43 H new ATOM 0 HE1 HIS A 107 7.234 -3.422 -13.858 1.00 30.11 H new ATOM 0 HE2 HIS A 107 8.833 -2.103 -15.337 1.00 72.02 H new ATOM 758 N PHE A 108 12.978 -2.855 -9.012 1.00 73.24 N ATOM 759 CA PHE A 108 14.160 -3.159 -8.215 1.00 0.04 C ATOM 760 C PHE A 108 14.050 -4.544 -7.585 1.00 31.43 C ATOM 761 O PHE A 108 13.240 -4.767 -6.684 1.00 65.31 O ATOM 762 CB PHE A 108 14.350 -2.104 -7.123 1.00 52.30 C ATOM 763 CG PHE A 108 14.684 -0.741 -7.659 1.00 14.35 C ATOM 764 CD1 PHE A 108 13.678 0.147 -8.007 1.00 62.53 C ATOM 765 CD2 PHE A 108 16.003 -0.347 -7.814 1.00 10.14 C ATOM 766 CE1 PHE A 108 13.982 1.402 -8.500 1.00 71.20 C ATOM 767 CE2 PHE A 108 16.313 0.907 -8.305 1.00 53.04 C ATOM 768 CZ PHE A 108 15.301 1.782 -8.650 1.00 61.02 C ATOM 0 H PHE A 108 12.095 -3.124 -8.577 1.00 73.24 H new ATOM 0 HA PHE A 108 15.026 -3.148 -8.877 1.00 0.04 H new ATOM 0 HB2 PHE A 108 13.438 -2.039 -6.529 1.00 52.30 H new ATOM 0 HB3 PHE A 108 15.146 -2.427 -6.451 1.00 52.30 H new ATOM 0 HD1 PHE A 108 12.645 -0.145 -7.892 1.00 62.53 H new ATOM 0 HD2 PHE A 108 16.798 -1.028 -7.548 1.00 10.14 H new ATOM 0 HE1 PHE A 108 13.189 2.085 -8.768 1.00 71.20 H new ATOM 0 HE2 PHE A 108 17.345 1.203 -8.419 1.00 53.04 H new ATOM 0 HZ PHE A 108 15.541 2.762 -9.036 1.00 61.02 H new ATOM 778 N LYS A 109 14.870 -5.473 -8.065 1.00 75.14 N ATOM 779 CA LYS A 109 14.867 -6.837 -7.551 1.00 34.42 C ATOM 780 C LYS A 109 15.270 -6.865 -6.080 1.00 45.01 C ATOM 781 O LYS A 109 16.365 -6.434 -5.718 1.00 44.04 O ATOM 782 CB LYS A 109 15.817 -7.715 -8.368 1.00 44.33 C ATOM 783 CG LYS A 109 15.109 -8.611 -9.369 1.00 32.44 C ATOM 784 CD LYS A 109 14.455 -9.801 -8.686 1.00 21.11 C ATOM 785 CE LYS A 109 15.476 -10.873 -8.337 1.00 32.34 C ATOM 786 NZ LYS A 109 15.423 -12.019 -9.286 1.00 64.40 N ATOM 0 H LYS A 109 15.546 -5.305 -8.810 1.00 75.14 H new ATOM 0 HA LYS A 109 13.854 -7.229 -7.640 1.00 34.42 H new ATOM 0 HB2 LYS A 109 16.521 -7.076 -8.900 1.00 44.33 H new ATOM 0 HB3 LYS A 109 16.401 -8.335 -7.687 1.00 44.33 H new ATOM 0 HG2 LYS A 109 14.353 -8.036 -9.903 1.00 32.44 H new ATOM 0 HG3 LYS A 109 15.824 -8.964 -10.112 1.00 32.44 H new ATOM 0 HD2 LYS A 109 13.950 -9.469 -7.779 1.00 21.11 H new ATOM 0 HD3 LYS A 109 13.692 -10.223 -9.340 1.00 21.11 H new ATOM 0 HE2 LYS A 109 16.476 -10.439 -8.347 1.00 32.34 H new ATOM 0 HE3 LYS A 109 15.294 -11.232 -7.324 1.00 32.34 H new ATOM 0 HZ1 LYS A 109 16.134 -12.728 -9.014 1.00 64.40 H new ATOM 0 HZ2 LYS A 109 14.477 -12.449 -9.258 1.00 64.40 H new ATOM 0 HZ3 LYS A 109 15.622 -11.681 -10.249 1.00 64.40 H new ATOM 800 N VAL A 110 14.380 -7.376 -5.236 1.00 12.00 N ATOM 801 CA VAL A 110 14.645 -7.462 -3.805 1.00 33.32 C ATOM 802 C VAL A 110 15.453 -8.711 -3.470 1.00 1.31 C ATOM 803 O VAL A 110 15.085 -9.823 -3.850 1.00 52.12 O ATOM 804 CB VAL A 110 13.337 -7.478 -2.992 1.00 14.32 C ATOM 805 CG1 VAL A 110 13.614 -7.839 -1.540 1.00 51.15 C ATOM 806 CG2 VAL A 110 12.633 -6.133 -3.090 1.00 11.40 C ATOM 0 H VAL A 110 13.469 -7.737 -5.518 1.00 12.00 H new ATOM 0 HA VAL A 110 15.221 -6.577 -3.536 1.00 33.32 H new ATOM 0 HB VAL A 110 12.679 -8.239 -3.411 1.00 14.32 H new ATOM 0 HG11 VAL A 110 12.678 -7.845 -0.982 1.00 51.15 H new ATOM 0 HG12 VAL A 110 14.072 -8.827 -1.492 1.00 51.15 H new ATOM 0 HG13 VAL A 110 14.291 -7.104 -1.105 1.00 51.15 H new ATOM 0 HG21 VAL A 110 11.711 -6.162 -2.510 1.00 11.40 H new ATOM 0 HG22 VAL A 110 13.284 -5.352 -2.698 1.00 11.40 H new ATOM 0 HG23 VAL A 110 12.399 -5.920 -4.133 1.00 11.40 H new ATOM 816 N LEU A 111 16.557 -8.520 -2.755 1.00 53.05 N ATOM 817 CA LEU A 111 17.419 -9.631 -2.368 1.00 33.23 C ATOM 818 C LEU A 111 17.166 -10.036 -0.919 1.00 62.40 C ATOM 819 O LEU A 111 16.935 -9.187 -0.058 1.00 22.51 O ATOM 820 CB LEU A 111 18.889 -9.251 -2.554 1.00 74.21 C ATOM 821 CG LEU A 111 19.405 -9.251 -3.994 1.00 34.45 C ATOM 822 CD1 LEU A 111 19.247 -10.630 -4.617 1.00 5.42 C ATOM 823 CD2 LEU A 111 18.675 -8.203 -4.822 1.00 24.35 C ATOM 0 H LEU A 111 16.876 -7.607 -2.432 1.00 53.05 H new ATOM 0 HA LEU A 111 17.186 -10.481 -3.010 1.00 33.23 H new ATOM 0 HB2 LEU A 111 19.043 -8.257 -2.134 1.00 74.21 H new ATOM 0 HB3 LEU A 111 19.499 -9.941 -1.971 1.00 74.21 H new ATOM 0 HG LEU A 111 20.466 -9.000 -3.980 1.00 34.45 H new ATOM 0 HD11 LEU A 111 19.619 -10.611 -5.641 1.00 5.42 H new ATOM 0 HD12 LEU A 111 19.815 -11.358 -4.038 1.00 5.42 H new ATOM 0 HD13 LEU A 111 18.194 -10.910 -4.619 1.00 5.42 H new ATOM 0 HD21 LEU A 111 19.055 -8.217 -5.844 1.00 24.35 H new ATOM 0 HD22 LEU A 111 17.608 -8.423 -4.829 1.00 24.35 H new ATOM 0 HD23 LEU A 111 18.839 -7.217 -4.387 1.00 24.35 H new ATOM 835 N ARG A 112 17.214 -11.339 -0.657 1.00 51.54 N ATOM 836 CA ARG A 112 16.991 -11.856 0.687 1.00 23.32 C ATOM 837 C ARG A 112 17.830 -13.107 0.934 1.00 2.31 C ATOM 838 O ARG A 112 17.886 -14.005 0.094 1.00 52.10 O ATOM 839 CB ARG A 112 15.509 -12.174 0.896 1.00 44.14 C ATOM 840 CG ARG A 112 14.946 -13.150 -0.125 1.00 4.42 C ATOM 841 CD ARG A 112 14.253 -12.423 -1.266 1.00 74.14 C ATOM 842 NE ARG A 112 14.947 -12.611 -2.537 1.00 71.54 N ATOM 843 CZ ARG A 112 15.166 -13.801 -3.086 1.00 32.42 C ATOM 844 NH1 ARG A 112 14.747 -14.903 -2.478 1.00 15.51 N ATOM 845 NH2 ARG A 112 15.805 -13.891 -4.245 1.00 60.42 N ATOM 0 H ARG A 112 17.405 -12.055 -1.358 1.00 51.54 H new ATOM 0 HA ARG A 112 17.294 -11.088 1.399 1.00 23.32 H new ATOM 0 HB2 ARG A 112 15.372 -12.587 1.895 1.00 44.14 H new ATOM 0 HB3 ARG A 112 14.938 -11.247 0.854 1.00 44.14 H new ATOM 0 HG2 ARG A 112 15.751 -13.768 -0.522 1.00 4.42 H new ATOM 0 HG3 ARG A 112 14.239 -13.821 0.363 1.00 4.42 H new ATOM 0 HD2 ARG A 112 13.228 -12.783 -1.356 1.00 74.14 H new ATOM 0 HD3 ARG A 112 14.198 -11.359 -1.037 1.00 74.14 H new ATOM 0 HE ARG A 112 15.282 -11.783 -3.030 1.00 71.54 H new ATOM 0 HH11 ARG A 112 14.255 -14.838 -1.587 1.00 15.51 H new ATOM 0 HH12 ARG A 112 14.917 -15.815 -2.902 1.00 15.51 H new ATOM 0 HH21 ARG A 112 16.129 -13.046 -4.716 1.00 60.42 H new ATOM 0 HH22 ARG A 112 15.973 -14.805 -4.665 1.00 60.42 H new ATOM 859 N ASP A 113 18.481 -13.157 2.091 1.00 62.00 N ATOM 860 CA ASP A 113 19.317 -14.297 2.449 1.00 30.21 C ATOM 861 C ASP A 113 19.236 -14.581 3.946 1.00 63.33 C ATOM 862 O ASP A 113 18.652 -13.809 4.704 1.00 52.31 O ATOM 863 CB ASP A 113 20.769 -14.039 2.044 1.00 61.52 C ATOM 864 CG ASP A 113 20.936 -13.901 0.543 1.00 34.03 C ATOM 865 OD1 ASP A 113 20.269 -13.027 -0.049 1.00 1.00 O ATOM 866 OD2 ASP A 113 21.732 -14.667 -0.039 1.00 32.31 O ATOM 0 H ASP A 113 18.446 -12.422 2.797 1.00 62.00 H new ATOM 0 HA ASP A 113 18.948 -15.170 1.911 1.00 30.21 H new ATOM 0 HB2 ASP A 113 21.123 -13.130 2.531 1.00 61.52 H new ATOM 0 HB3 ASP A 113 21.394 -14.857 2.402 1.00 61.52 H new ATOM 871 N GLY A 114 19.827 -15.697 4.364 1.00 12.20 N ATOM 872 CA GLY A 114 19.809 -16.064 5.768 1.00 41.01 C ATOM 873 C GLY A 114 18.499 -16.703 6.184 1.00 52.33 C ATOM 874 O GLY A 114 18.450 -17.895 6.485 1.00 11.34 O ATOM 0 H GLY A 114 20.317 -16.353 3.756 1.00 12.20 H new ATOM 0 HA2 GLY A 114 20.627 -16.755 5.970 1.00 41.01 H new ATOM 0 HA3 GLY A 114 19.985 -15.176 6.375 1.00 41.01 H new ATOM 878 N ALA A 115 17.434 -15.908 6.201 1.00 1.53 N ATOM 879 CA ALA A 115 16.117 -16.402 6.583 1.00 63.51 C ATOM 880 C ALA A 115 15.019 -15.444 6.134 1.00 63.43 C ATOM 881 O ALA A 115 14.097 -15.833 5.419 1.00 74.40 O ATOM 882 CB ALA A 115 16.050 -16.617 8.088 1.00 70.23 C ATOM 0 H ALA A 115 17.458 -14.919 5.954 1.00 1.53 H new ATOM 0 HA ALA A 115 15.956 -17.357 6.083 1.00 63.51 H new ATOM 0 HB1 ALA A 115 15.061 -16.986 8.359 1.00 70.23 H new ATOM 0 HB2 ALA A 115 16.803 -17.346 8.385 1.00 70.23 H new ATOM 0 HB3 ALA A 115 16.238 -15.673 8.599 1.00 70.23 H new ATOM 888 N GLY A 116 15.125 -14.189 6.559 1.00 42.13 N ATOM 889 CA GLY A 116 14.134 -13.195 6.191 1.00 72.03 C ATOM 890 C GLY A 116 14.690 -11.785 6.212 1.00 23.24 C ATOM 891 O GLY A 116 14.017 -10.850 6.645 1.00 15.02 O ATOM 0 H GLY A 116 15.880 -13.843 7.152 1.00 42.13 H new ATOM 0 HA2 GLY A 116 13.754 -13.417 5.194 1.00 72.03 H new ATOM 0 HA3 GLY A 116 13.288 -13.259 6.876 1.00 72.03 H new ATOM 895 N LYS A 117 15.925 -11.631 5.746 1.00 53.12 N ATOM 896 CA LYS A 117 16.573 -10.325 5.713 1.00 23.42 C ATOM 897 C LYS A 117 16.629 -9.781 4.289 1.00 12.04 C ATOM 898 O LYS A 117 17.378 -10.284 3.451 1.00 14.52 O ATOM 899 CB LYS A 117 17.988 -10.421 6.289 1.00 33.25 C ATOM 900 CG LYS A 117 18.032 -10.972 7.704 1.00 21.31 C ATOM 901 CD LYS A 117 18.128 -9.859 8.734 1.00 53.13 C ATOM 902 CE LYS A 117 19.251 -10.113 9.727 1.00 31.33 C ATOM 903 NZ LYS A 117 18.961 -9.511 11.058 1.00 22.00 N ATOM 0 H LYS A 117 16.497 -12.395 5.386 1.00 53.12 H new ATOM 0 HA LYS A 117 15.984 -9.639 6.322 1.00 23.42 H new ATOM 0 HB2 LYS A 117 18.593 -11.056 5.642 1.00 33.25 H new ATOM 0 HB3 LYS A 117 18.443 -9.431 6.279 1.00 33.25 H new ATOM 0 HG2 LYS A 117 17.138 -11.566 7.892 1.00 21.31 H new ATOM 0 HG3 LYS A 117 18.887 -11.640 7.809 1.00 21.31 H new ATOM 0 HD2 LYS A 117 18.296 -8.908 8.229 1.00 53.13 H new ATOM 0 HD3 LYS A 117 17.182 -9.773 9.268 1.00 53.13 H new ATOM 0 HE2 LYS A 117 19.401 -11.187 9.839 1.00 31.33 H new ATOM 0 HE3 LYS A 117 20.181 -9.700 9.337 1.00 31.33 H new ATOM 0 HZ1 LYS A 117 19.750 -9.706 11.707 1.00 22.00 H new ATOM 0 HZ2 LYS A 117 18.843 -8.483 10.956 1.00 22.00 H new ATOM 0 HZ3 LYS A 117 18.087 -9.923 11.442 1.00 22.00 H new ATOM 917 N TYR A 118 15.833 -8.751 4.024 1.00 44.14 N ATOM 918 CA TYR A 118 15.792 -8.139 2.701 1.00 53.12 C ATOM 919 C TYR A 118 16.833 -7.031 2.580 1.00 2.41 C ATOM 920 O TYR A 118 17.237 -6.431 3.577 1.00 62.13 O ATOM 921 CB TYR A 118 14.397 -7.577 2.420 1.00 43.53 C ATOM 922 CG TYR A 118 13.284 -8.570 2.661 1.00 34.32 C ATOM 923 CD1 TYR A 118 12.943 -9.510 1.696 1.00 43.02 C ATOM 924 CD2 TYR A 118 12.571 -8.569 3.854 1.00 61.11 C ATOM 925 CE1 TYR A 118 11.926 -10.420 1.912 1.00 40.54 C ATOM 926 CE2 TYR A 118 11.553 -9.476 4.079 1.00 45.20 C ATOM 927 CZ TYR A 118 11.234 -10.399 3.105 1.00 45.32 C ATOM 928 OH TYR A 118 10.220 -11.303 3.325 1.00 45.44 O ATOM 0 H TYR A 118 15.208 -8.323 4.707 1.00 44.14 H new ATOM 0 HA TYR A 118 16.022 -8.909 1.965 1.00 53.12 H new ATOM 0 HB2 TYR A 118 14.234 -6.702 3.049 1.00 43.53 H new ATOM 0 HB3 TYR A 118 14.353 -7.239 1.385 1.00 43.53 H new ATOM 0 HD1 TYR A 118 13.482 -9.530 0.761 1.00 43.02 H new ATOM 0 HD2 TYR A 118 12.817 -7.847 4.618 1.00 61.11 H new ATOM 0 HE1 TYR A 118 11.674 -11.144 1.151 1.00 40.54 H new ATOM 0 HE2 TYR A 118 11.010 -9.462 5.013 1.00 45.20 H new ATOM 0 HH TYR A 118 9.659 -11.366 2.524 1.00 45.44 H new ATOM 938 N PHE A 119 17.263 -6.763 1.352 1.00 64.34 N ATOM 939 CA PHE A 119 18.258 -5.727 1.098 1.00 21.44 C ATOM 940 C PHE A 119 18.371 -5.435 -0.395 1.00 62.40 C ATOM 941 O PHE A 119 17.875 -6.196 -1.227 1.00 43.14 O ATOM 942 CB PHE A 119 19.620 -6.153 1.651 1.00 42.40 C ATOM 943 CG PHE A 119 20.124 -7.444 1.074 1.00 64.40 C ATOM 944 CD1 PHE A 119 19.518 -8.647 1.399 1.00 60.11 C ATOM 945 CD2 PHE A 119 21.205 -7.456 0.207 1.00 23.01 C ATOM 946 CE1 PHE A 119 19.979 -9.838 0.869 1.00 3.44 C ATOM 947 CE2 PHE A 119 21.671 -8.643 -0.326 1.00 34.32 C ATOM 948 CZ PHE A 119 21.058 -9.836 0.007 1.00 52.33 C ATOM 0 H PHE A 119 16.938 -7.249 0.516 1.00 64.34 H new ATOM 0 HA PHE A 119 17.936 -4.817 1.604 1.00 21.44 H new ATOM 0 HB2 PHE A 119 20.347 -5.366 1.450 1.00 42.40 H new ATOM 0 HB3 PHE A 119 19.549 -6.252 2.734 1.00 42.40 H new ATOM 0 HD1 PHE A 119 18.675 -8.654 2.074 1.00 60.11 H new ATOM 0 HD2 PHE A 119 21.689 -6.527 -0.055 1.00 23.01 H new ATOM 0 HE1 PHE A 119 19.496 -10.768 1.129 1.00 3.44 H new ATOM 0 HE2 PHE A 119 22.513 -8.638 -1.002 1.00 34.32 H new ATOM 0 HZ PHE A 119 21.422 -10.765 -0.406 1.00 52.33 H new ATOM 958 N LEU A 120 19.026 -4.329 -0.727 1.00 44.51 N ATOM 959 CA LEU A 120 19.205 -3.934 -2.120 1.00 61.02 C ATOM 960 C LEU A 120 20.676 -3.672 -2.428 1.00 10.05 C ATOM 961 O LEU A 120 21.428 -4.594 -2.744 1.00 12.00 O ATOM 962 CB LEU A 120 18.378 -2.685 -2.427 1.00 53.41 C ATOM 963 CG LEU A 120 16.894 -2.916 -2.715 1.00 70.24 C ATOM 964 CD1 LEU A 120 16.032 -2.060 -1.800 1.00 44.14 C ATOM 965 CD2 LEU A 120 16.582 -2.621 -4.175 1.00 51.22 C ATOM 0 H LEU A 120 19.442 -3.689 -0.051 1.00 44.51 H new ATOM 0 HA LEU A 120 18.862 -4.754 -2.751 1.00 61.02 H new ATOM 0 HB2 LEU A 120 18.461 -2.002 -1.582 1.00 53.41 H new ATOM 0 HB3 LEU A 120 18.821 -2.183 -3.287 1.00 53.41 H new ATOM 0 HG LEU A 120 16.665 -3.964 -2.520 1.00 70.24 H new ATOM 0 HD11 LEU A 120 14.979 -2.238 -2.020 1.00 44.14 H new ATOM 0 HD12 LEU A 120 16.235 -2.320 -0.761 1.00 44.14 H new ATOM 0 HD13 LEU A 120 16.263 -1.007 -1.962 1.00 44.14 H new ATOM 0 HD21 LEU A 120 15.522 -2.791 -4.362 1.00 51.22 H new ATOM 0 HD22 LEU A 120 16.828 -1.583 -4.397 1.00 51.22 H new ATOM 0 HD23 LEU A 120 17.173 -3.278 -4.813 1.00 51.22 H new ATOM 977 N TRP A 121 21.079 -2.410 -2.330 1.00 64.52 N ATOM 978 CA TRP A 121 22.462 -2.028 -2.596 1.00 15.42 C ATOM 979 C TRP A 121 23.374 -2.456 -1.452 1.00 64.13 C ATOM 980 O TRP A 121 24.174 -3.381 -1.597 1.00 4.33 O ATOM 981 CB TRP A 121 22.562 -0.516 -2.806 1.00 41.11 C ATOM 982 CG TRP A 121 21.781 -0.027 -3.988 1.00 35.30 C ATOM 983 CD1 TRP A 121 20.720 0.833 -3.970 1.00 42.13 C ATOM 984 CD2 TRP A 121 21.997 -0.372 -5.361 1.00 31.45 C ATOM 985 NE1 TRP A 121 20.264 1.044 -5.249 1.00 63.33 N ATOM 986 CE2 TRP A 121 21.031 0.316 -6.120 1.00 43.35 C ATOM 987 CE3 TRP A 121 22.914 -1.194 -6.022 1.00 35.32 C ATOM 988 CZ2 TRP A 121 20.958 0.206 -7.506 1.00 74.54 C ATOM 989 CZ3 TRP A 121 22.839 -1.303 -7.397 1.00 71.33 C ATOM 990 CH2 TRP A 121 21.867 -0.606 -8.128 1.00 24.12 C ATOM 0 H TRP A 121 20.469 -1.635 -2.069 1.00 64.52 H new ATOM 0 HA TRP A 121 22.786 -2.537 -3.504 1.00 15.42 H new ATOM 0 HB2 TRP A 121 22.207 -0.008 -1.910 1.00 41.11 H new ATOM 0 HB3 TRP A 121 23.609 -0.243 -2.934 1.00 41.11 H new ATOM 0 HD1 TRP A 121 20.301 1.281 -3.081 1.00 42.13 H new ATOM 0 HE1 TRP A 121 19.482 1.645 -5.508 1.00 63.33 H new ATOM 0 HE3 TRP A 121 23.667 -1.734 -5.468 1.00 35.32 H new ATOM 0 HZ2 TRP A 121 20.210 0.743 -8.071 1.00 74.54 H new ATOM 0 HZ3 TRP A 121 23.542 -1.936 -7.918 1.00 71.33 H new ATOM 0 HH2 TRP A 121 21.835 -0.712 -9.202 1.00 24.12 H new ATOM 1001 N VAL A 122 23.250 -1.779 -0.315 1.00 52.44 N ATOM 1002 CA VAL A 122 24.063 -2.091 0.854 1.00 43.34 C ATOM 1003 C VAL A 122 23.207 -2.175 2.112 1.00 21.12 C ATOM 1004 O VAL A 122 23.505 -2.941 3.029 1.00 71.45 O ATOM 1005 CB VAL A 122 25.167 -1.038 1.067 1.00 42.24 C ATOM 1006 CG1 VAL A 122 26.189 -1.100 -0.059 1.00 13.22 C ATOM 1007 CG2 VAL A 122 24.562 0.354 1.172 1.00 22.14 C ATOM 0 H VAL A 122 22.594 -1.010 -0.179 1.00 52.44 H new ATOM 0 HA VAL A 122 24.526 -3.060 0.668 1.00 43.34 H new ATOM 0 HB VAL A 122 25.679 -1.259 2.003 1.00 42.24 H new ATOM 0 HG11 VAL A 122 26.961 -0.349 0.109 1.00 13.22 H new ATOM 0 HG12 VAL A 122 26.645 -2.090 -0.083 1.00 13.22 H new ATOM 0 HG13 VAL A 122 25.694 -0.906 -1.011 1.00 13.22 H new ATOM 0 HG21 VAL A 122 25.356 1.085 1.322 1.00 22.14 H new ATOM 0 HG22 VAL A 122 24.023 0.587 0.253 1.00 22.14 H new ATOM 0 HG23 VAL A 122 23.873 0.388 2.016 1.00 22.14 H new ATOM 1017 N VAL A 123 22.141 -1.382 2.150 1.00 31.13 N ATOM 1018 CA VAL A 123 21.239 -1.368 3.296 1.00 3.11 C ATOM 1019 C VAL A 123 20.407 -2.644 3.356 1.00 13.41 C ATOM 1020 O VAL A 123 19.979 -3.168 2.328 1.00 61.43 O ATOM 1021 CB VAL A 123 20.294 -0.153 3.251 1.00 1.44 C ATOM 1022 CG1 VAL A 123 19.309 -0.284 2.100 1.00 31.21 C ATOM 1023 CG2 VAL A 123 19.562 0.001 4.576 1.00 53.02 C ATOM 0 H VAL A 123 21.881 -0.741 1.401 1.00 31.13 H new ATOM 0 HA VAL A 123 21.861 -1.302 4.188 1.00 3.11 H new ATOM 0 HB VAL A 123 20.891 0.744 3.085 1.00 1.44 H new ATOM 0 HG11 VAL A 123 18.650 0.584 2.085 1.00 31.21 H new ATOM 0 HG12 VAL A 123 19.855 -0.341 1.158 1.00 31.21 H new ATOM 0 HG13 VAL A 123 18.715 -1.189 2.231 1.00 31.21 H new ATOM 0 HG21 VAL A 123 18.898 0.864 4.527 1.00 53.02 H new ATOM 0 HG22 VAL A 123 18.976 -0.896 4.774 1.00 53.02 H new ATOM 0 HG23 VAL A 123 20.287 0.145 5.377 1.00 53.02 H new ATOM 1033 N LYS A 124 20.179 -3.138 4.568 1.00 62.50 N ATOM 1034 CA LYS A 124 19.396 -4.352 4.765 1.00 72.45 C ATOM 1035 C LYS A 124 18.422 -4.189 5.927 1.00 72.20 C ATOM 1036 O LYS A 124 18.531 -3.249 6.714 1.00 1.22 O ATOM 1037 CB LYS A 124 20.320 -5.544 5.023 1.00 22.34 C ATOM 1038 CG LYS A 124 20.805 -5.638 6.460 1.00 54.50 C ATOM 1039 CD LYS A 124 21.530 -6.947 6.720 1.00 44.12 C ATOM 1040 CE LYS A 124 22.927 -6.710 7.274 1.00 12.30 C ATOM 1041 NZ LYS A 124 23.970 -6.824 6.217 1.00 31.24 N ATOM 0 H LYS A 124 20.526 -2.716 5.429 1.00 62.50 H new ATOM 0 HA LYS A 124 18.822 -4.535 3.856 1.00 72.45 H new ATOM 0 HB2 LYS A 124 19.794 -6.463 4.765 1.00 22.34 H new ATOM 0 HB3 LYS A 124 21.183 -5.474 4.361 1.00 22.34 H new ATOM 0 HG2 LYS A 124 21.472 -4.803 6.675 1.00 54.50 H new ATOM 0 HG3 LYS A 124 19.956 -5.551 7.138 1.00 54.50 H new ATOM 0 HD2 LYS A 124 20.955 -7.549 7.424 1.00 44.12 H new ATOM 0 HD3 LYS A 124 21.597 -7.517 5.794 1.00 44.12 H new ATOM 0 HE2 LYS A 124 22.975 -5.719 7.726 1.00 12.30 H new ATOM 0 HE3 LYS A 124 23.131 -7.432 8.065 1.00 12.30 H new ATOM 0 HZ1 LYS A 124 24.907 -6.656 6.635 1.00 31.24 H new ATOM 0 HZ2 LYS A 124 23.942 -7.777 5.803 1.00 31.24 H new ATOM 0 HZ3 LYS A 124 23.790 -6.118 5.474 1.00 31.24 H new ATOM 1055 N PHE A 125 17.470 -5.111 6.030 1.00 63.23 N ATOM 1056 CA PHE A 125 16.477 -5.069 7.097 1.00 62.42 C ATOM 1057 C PHE A 125 15.863 -6.448 7.323 1.00 43.14 C ATOM 1058 O PHE A 125 16.163 -7.398 6.601 1.00 73.10 O ATOM 1059 CB PHE A 125 15.379 -4.058 6.761 1.00 60.30 C ATOM 1060 CG PHE A 125 15.888 -2.656 6.584 1.00 25.45 C ATOM 1061 CD1 PHE A 125 16.222 -1.883 7.685 1.00 53.34 C ATOM 1062 CD2 PHE A 125 16.035 -2.113 5.319 1.00 54.54 C ATOM 1063 CE1 PHE A 125 16.690 -0.592 7.525 1.00 71.22 C ATOM 1064 CE2 PHE A 125 16.503 -0.823 5.153 1.00 52.34 C ATOM 1065 CZ PHE A 125 16.832 -0.062 6.257 1.00 12.03 C ATOM 0 H PHE A 125 17.365 -5.896 5.387 1.00 63.23 H new ATOM 0 HA PHE A 125 16.978 -4.759 8.014 1.00 62.42 H new ATOM 0 HB2 PHE A 125 14.875 -4.371 5.846 1.00 60.30 H new ATOM 0 HB3 PHE A 125 14.632 -4.067 7.555 1.00 60.30 H new ATOM 0 HD1 PHE A 125 16.116 -2.294 8.678 1.00 53.34 H new ATOM 0 HD2 PHE A 125 15.781 -2.704 4.452 1.00 54.54 H new ATOM 0 HE1 PHE A 125 16.944 0.002 8.391 1.00 71.22 H new ATOM 0 HE2 PHE A 125 16.611 -0.411 4.161 1.00 52.34 H new ATOM 0 HZ PHE A 125 17.200 0.946 6.130 1.00 12.03 H new ATOM 1075 N ASN A 126 15.003 -6.548 8.331 1.00 52.13 N ATOM 1076 CA ASN A 126 14.347 -7.810 8.653 1.00 11.14 C ATOM 1077 C ASN A 126 12.983 -7.903 7.977 1.00 54.52 C ATOM 1078 O ASN A 126 12.637 -8.929 7.392 1.00 35.13 O ATOM 1079 CB ASN A 126 14.188 -7.953 10.168 1.00 21.34 C ATOM 1080 CG ASN A 126 13.611 -6.706 10.810 1.00 74.33 C ATOM 1081 OD1 ASN A 126 14.314 -5.717 11.013 1.00 3.23 O ATOM 1082 ND2 ASN A 126 12.323 -6.749 11.132 1.00 40.12 N ATOM 0 H ASN A 126 14.744 -5.771 8.939 1.00 52.13 H new ATOM 0 HA ASN A 126 14.973 -8.621 8.281 1.00 11.14 H new ATOM 0 HB2 ASN A 126 13.540 -8.802 10.384 1.00 21.34 H new ATOM 0 HB3 ASN A 126 15.159 -8.171 10.613 1.00 21.34 H new ATOM 0 HD21 ASN A 126 11.879 -5.940 11.566 1.00 40.12 H new ATOM 0 HD22 ASN A 126 11.778 -7.591 10.945 1.00 40.12 H new ATOM 1089 N SER A 127 12.212 -6.822 8.060 1.00 63.50 N ATOM 1090 CA SER A 127 10.884 -6.782 7.459 1.00 65.53 C ATOM 1091 C SER A 127 10.876 -5.891 6.220 1.00 35.33 C ATOM 1092 O SER A 127 11.717 -5.003 6.074 1.00 73.53 O ATOM 1093 CB SER A 127 9.857 -6.276 8.473 1.00 43.21 C ATOM 1094 OG SER A 127 10.279 -5.057 9.060 1.00 31.14 O ATOM 0 H SER A 127 12.485 -5.963 8.538 1.00 63.50 H new ATOM 0 HA SER A 127 10.617 -7.795 7.158 1.00 65.53 H new ATOM 0 HB2 SER A 127 8.895 -6.133 7.981 1.00 43.21 H new ATOM 0 HB3 SER A 127 9.709 -7.026 9.250 1.00 43.21 H new ATOM 0 HG SER A 127 9.601 -4.367 8.903 1.00 31.14 H new ATOM 1100 N LEU A 128 9.919 -6.135 5.331 1.00 11.54 N ATOM 1101 CA LEU A 128 9.799 -5.355 4.104 1.00 14.12 C ATOM 1102 C LEU A 128 9.483 -3.895 4.415 1.00 23.21 C ATOM 1103 O LEU A 128 10.067 -2.985 3.828 1.00 71.41 O ATOM 1104 CB LEU A 128 8.709 -5.944 3.207 1.00 33.11 C ATOM 1105 CG LEU A 128 9.137 -7.097 2.299 1.00 24.32 C ATOM 1106 CD1 LEU A 128 7.970 -7.566 1.444 1.00 2.13 C ATOM 1107 CD2 LEU A 128 10.309 -6.679 1.423 1.00 53.25 C ATOM 0 H LEU A 128 9.216 -6.866 5.437 1.00 11.54 H new ATOM 0 HA LEU A 128 10.754 -5.397 3.581 1.00 14.12 H new ATOM 0 HB2 LEU A 128 7.893 -6.291 3.841 1.00 33.11 H new ATOM 0 HB3 LEU A 128 8.310 -5.145 2.582 1.00 33.11 H new ATOM 0 HG LEU A 128 9.457 -7.929 2.927 1.00 24.32 H new ATOM 0 HD11 LEU A 128 8.294 -8.387 0.805 1.00 2.13 H new ATOM 0 HD12 LEU A 128 7.160 -7.907 2.089 1.00 2.13 H new ATOM 0 HD13 LEU A 128 7.618 -6.741 0.825 1.00 2.13 H new ATOM 0 HD21 LEU A 128 10.600 -7.512 0.783 1.00 53.25 H new ATOM 0 HD22 LEU A 128 10.016 -5.831 0.804 1.00 53.25 H new ATOM 0 HD23 LEU A 128 11.151 -6.394 2.054 1.00 53.25 H new ATOM 1119 N ASN A 129 8.558 -3.680 5.344 1.00 35.12 N ATOM 1120 CA ASN A 129 8.166 -2.331 5.735 1.00 52.43 C ATOM 1121 C ASN A 129 9.391 -1.477 6.044 1.00 4.54 C ATOM 1122 O ASN A 129 9.481 -0.325 5.620 1.00 74.25 O ATOM 1123 CB ASN A 129 7.242 -2.378 6.954 1.00 41.15 C ATOM 1124 CG ASN A 129 7.999 -2.223 8.259 1.00 73.53 C ATOM 1125 OD1 ASN A 129 8.261 -3.203 8.957 1.00 61.04 O ATOM 1126 ND2 ASN A 129 8.353 -0.988 8.594 1.00 30.44 N ATOM 0 H ASN A 129 8.066 -4.423 5.840 1.00 35.12 H new ATOM 0 HA ASN A 129 7.631 -1.879 4.900 1.00 52.43 H new ATOM 0 HB2 ASN A 129 6.497 -1.586 6.873 1.00 41.15 H new ATOM 0 HB3 ASN A 129 6.702 -3.325 6.961 1.00 41.15 H new ATOM 0 HD21 ASN A 129 8.864 -0.821 9.461 1.00 30.44 H new ATOM 0 HD22 ASN A 129 8.114 -0.206 7.984 1.00 30.44 H new ATOM 1133 N GLU A 130 10.333 -2.050 6.787 1.00 44.02 N ATOM 1134 CA GLU A 130 11.554 -1.341 7.153 1.00 14.41 C ATOM 1135 C GLU A 130 12.309 -0.880 5.910 1.00 41.21 C ATOM 1136 O GLU A 130 12.804 0.247 5.852 1.00 23.43 O ATOM 1137 CB GLU A 130 12.453 -2.236 8.008 1.00 44.24 C ATOM 1138 CG GLU A 130 12.559 -1.788 9.456 1.00 42.24 C ATOM 1139 CD GLU A 130 11.447 -2.347 10.322 1.00 42.31 C ATOM 1140 OE1 GLU A 130 10.321 -1.812 10.260 1.00 35.02 O ATOM 1141 OE2 GLU A 130 11.704 -3.320 11.062 1.00 44.53 O ATOM 0 H GLU A 130 10.274 -3.003 7.147 1.00 44.02 H new ATOM 0 HA GLU A 130 11.273 -0.462 7.733 1.00 14.41 H new ATOM 0 HB2 GLU A 130 12.069 -3.256 7.979 1.00 44.24 H new ATOM 0 HB3 GLU A 130 13.451 -2.259 7.570 1.00 44.24 H new ATOM 0 HG2 GLU A 130 13.522 -2.102 9.860 1.00 42.24 H new ATOM 0 HG3 GLU A 130 12.535 -0.699 9.498 1.00 42.24 H new ATOM 1148 N LEU A 131 12.394 -1.758 4.917 1.00 21.42 N ATOM 1149 CA LEU A 131 13.090 -1.443 3.674 1.00 34.31 C ATOM 1150 C LEU A 131 12.414 -0.283 2.951 1.00 12.41 C ATOM 1151 O LEU A 131 13.051 0.724 2.639 1.00 72.40 O ATOM 1152 CB LEU A 131 13.130 -2.672 2.764 1.00 50.13 C ATOM 1153 CG LEU A 131 14.173 -2.645 1.646 1.00 25.44 C ATOM 1154 CD1 LEU A 131 15.442 -3.362 2.083 1.00 11.45 C ATOM 1155 CD2 LEU A 131 13.614 -3.274 0.379 1.00 74.13 C ATOM 0 H LEU A 131 11.990 -2.694 4.948 1.00 21.42 H new ATOM 0 HA LEU A 131 14.110 -1.148 3.922 1.00 34.31 H new ATOM 0 HB2 LEU A 131 13.312 -3.551 3.382 1.00 50.13 H new ATOM 0 HB3 LEU A 131 12.146 -2.797 2.313 1.00 50.13 H new ATOM 0 HG LEU A 131 14.421 -1.605 1.433 1.00 25.44 H new ATOM 0 HD11 LEU A 131 16.173 -3.333 1.275 1.00 11.45 H new ATOM 0 HD12 LEU A 131 15.854 -2.868 2.963 1.00 11.45 H new ATOM 0 HD13 LEU A 131 15.209 -4.399 2.324 1.00 11.45 H new ATOM 0 HD21 LEU A 131 14.370 -3.246 -0.405 1.00 74.13 H new ATOM 0 HD22 LEU A 131 13.337 -4.309 0.578 1.00 74.13 H new ATOM 0 HD23 LEU A 131 12.734 -2.719 0.055 1.00 74.13 H new ATOM 1167 N VAL A 132 11.119 -0.429 2.689 1.00 13.45 N ATOM 1168 CA VAL A 132 10.355 0.609 2.006 1.00 21.25 C ATOM 1169 C VAL A 132 10.601 1.976 2.635 1.00 60.13 C ATOM 1170 O VAL A 132 10.769 2.972 1.932 1.00 41.44 O ATOM 1171 CB VAL A 132 8.845 0.306 2.037 1.00 41.11 C ATOM 1172 CG1 VAL A 132 8.061 1.432 1.380 1.00 64.15 C ATOM 1173 CG2 VAL A 132 8.555 -1.024 1.358 1.00 50.11 C ATOM 0 H VAL A 132 10.577 -1.256 2.939 1.00 13.45 H new ATOM 0 HA VAL A 132 10.694 0.623 0.970 1.00 21.25 H new ATOM 0 HB VAL A 132 8.527 0.234 3.077 1.00 41.11 H new ATOM 0 HG11 VAL A 132 6.996 1.200 1.411 1.00 64.15 H new ATOM 0 HG12 VAL A 132 8.246 2.364 1.914 1.00 64.15 H new ATOM 0 HG13 VAL A 132 8.379 1.540 0.343 1.00 64.15 H new ATOM 0 HG21 VAL A 132 7.484 -1.222 1.389 1.00 50.11 H new ATOM 0 HG22 VAL A 132 8.887 -0.983 0.320 1.00 50.11 H new ATOM 0 HG23 VAL A 132 9.087 -1.821 1.877 1.00 50.11 H new ATOM 1183 N ASP A 133 10.621 2.016 3.962 1.00 23.53 N ATOM 1184 CA ASP A 133 10.849 3.261 4.687 1.00 75.33 C ATOM 1185 C ASP A 133 12.184 3.884 4.291 1.00 74.21 C ATOM 1186 O ASP A 133 12.232 5.011 3.798 1.00 62.01 O ATOM 1187 CB ASP A 133 10.815 3.011 6.195 1.00 3.33 C ATOM 1188 CG ASP A 133 9.643 2.145 6.613 1.00 2.43 C ATOM 1189 OD1 ASP A 133 8.530 2.361 6.090 1.00 3.20 O ATOM 1190 OD2 ASP A 133 9.839 1.252 7.464 1.00 14.35 O ATOM 0 H ASP A 133 10.482 1.200 4.559 1.00 23.53 H new ATOM 0 HA ASP A 133 10.052 3.957 4.424 1.00 75.33 H new ATOM 0 HB2 ASP A 133 11.745 2.532 6.502 1.00 3.33 H new ATOM 0 HB3 ASP A 133 10.762 3.966 6.717 1.00 3.33 H new ATOM 1195 N TYR A 134 13.264 3.144 4.511 1.00 63.51 N ATOM 1196 CA TYR A 134 14.600 3.625 4.181 1.00 65.44 C ATOM 1197 C TYR A 134 14.645 4.174 2.758 1.00 4.10 C ATOM 1198 O TYR A 134 15.385 5.115 2.466 1.00 33.23 O ATOM 1199 CB TYR A 134 15.624 2.499 4.337 1.00 71.41 C ATOM 1200 CG TYR A 134 17.028 2.897 3.941 1.00 73.12 C ATOM 1201 CD1 TYR A 134 17.376 3.053 2.605 1.00 74.55 C ATOM 1202 CD2 TYR A 134 18.006 3.117 4.902 1.00 22.22 C ATOM 1203 CE1 TYR A 134 18.657 3.416 2.238 1.00 61.33 C ATOM 1204 CE2 TYR A 134 19.290 3.482 4.545 1.00 73.42 C ATOM 1205 CZ TYR A 134 19.610 3.630 3.211 1.00 23.54 C ATOM 1206 OH TYR A 134 20.888 3.991 2.851 1.00 1.42 O ATOM 0 H TYR A 134 13.241 2.208 4.917 1.00 63.51 H new ATOM 0 HA TYR A 134 14.849 4.431 4.871 1.00 65.44 H new ATOM 0 HB2 TYR A 134 15.629 2.165 5.375 1.00 71.41 H new ATOM 0 HB3 TYR A 134 15.312 1.649 3.730 1.00 71.41 H new ATOM 0 HD1 TYR A 134 16.632 2.888 1.840 1.00 74.55 H new ATOM 0 HD2 TYR A 134 17.759 3.001 5.947 1.00 22.22 H new ATOM 0 HE1 TYR A 134 18.911 3.532 1.195 1.00 61.33 H new ATOM 0 HE2 TYR A 134 20.038 3.650 5.305 1.00 73.42 H new ATOM 0 HH TYR A 134 21.435 4.104 3.656 1.00 1.42 H new ATOM 1216 N HIS A 135 13.848 3.580 1.876 1.00 62.03 N ATOM 1217 CA HIS A 135 13.795 4.010 0.483 1.00 72.31 C ATOM 1218 C HIS A 135 13.023 5.319 0.347 1.00 24.04 C ATOM 1219 O HIS A 135 13.281 6.111 -0.559 1.00 0.52 O ATOM 1220 CB HIS A 135 13.144 2.929 -0.382 1.00 4.24 C ATOM 1221 CG HIS A 135 14.106 2.233 -1.295 1.00 1.41 C ATOM 1222 ND1 HIS A 135 13.715 1.295 -2.227 1.00 14.24 N ATOM 1223 CD2 HIS A 135 15.450 2.345 -1.417 1.00 75.10 C ATOM 1224 CE1 HIS A 135 14.776 0.858 -2.881 1.00 52.50 C ATOM 1225 NE2 HIS A 135 15.841 1.480 -2.409 1.00 44.11 N ATOM 0 H HIS A 135 13.230 2.800 2.101 1.00 62.03 H new ATOM 0 HA HIS A 135 14.817 4.174 0.140 1.00 72.31 H new ATOM 0 HB2 HIS A 135 12.673 2.191 0.267 1.00 4.24 H new ATOM 0 HB3 HIS A 135 12.352 3.381 -0.979 1.00 4.24 H new ATOM 0 HD2 HIS A 135 16.094 2.994 -0.842 1.00 75.10 H new ATOM 0 HE1 HIS A 135 14.773 0.118 -3.668 1.00 52.50 H new ATOM 0 HE2 HIS A 135 16.799 1.340 -2.730 1.00 44.11 H new ATOM 1233 N ARG A 136 12.076 5.539 1.254 1.00 63.45 N ATOM 1234 CA ARG A 136 11.266 6.751 1.234 1.00 63.44 C ATOM 1235 C ARG A 136 12.070 7.950 1.728 1.00 31.21 C ATOM 1236 O ARG A 136 11.828 9.084 1.316 1.00 10.32 O ATOM 1237 CB ARG A 136 10.017 6.569 2.098 1.00 61.12 C ATOM 1238 CG ARG A 136 10.119 7.231 3.462 1.00 31.43 C ATOM 1239 CD ARG A 136 8.867 6.992 4.292 1.00 40.10 C ATOM 1240 NE ARG A 136 7.992 8.161 4.311 1.00 50.11 N ATOM 1241 CZ ARG A 136 7.042 8.353 5.219 1.00 1.54 C ATOM 1242 NH1 ARG A 136 6.846 7.459 6.178 1.00 21.21 N ATOM 1243 NH2 ARG A 136 6.286 9.443 5.170 1.00 22.13 N ATOM 0 H ARG A 136 11.851 4.894 2.011 1.00 63.45 H new ATOM 0 HA ARG A 136 10.962 6.939 0.204 1.00 63.44 H new ATOM 0 HB2 ARG A 136 9.156 6.978 1.568 1.00 61.12 H new ATOM 0 HB3 ARG A 136 9.831 5.504 2.234 1.00 61.12 H new ATOM 0 HG2 ARG A 136 10.988 6.842 3.992 1.00 31.43 H new ATOM 0 HG3 ARG A 136 10.275 8.303 3.337 1.00 31.43 H new ATOM 0 HD2 ARG A 136 8.322 6.138 3.889 1.00 40.10 H new ATOM 0 HD3 ARG A 136 9.152 6.736 5.312 1.00 40.10 H new ATOM 0 HE ARG A 136 8.117 8.869 3.587 1.00 50.11 H new ATOM 0 HH11 ARG A 136 7.426 6.621 6.220 1.00 21.21 H new ATOM 0 HH12 ARG A 136 6.116 7.609 6.874 1.00 21.21 H new ATOM 0 HH21 ARG A 136 6.434 10.134 4.435 1.00 22.13 H new ATOM 0 HH22 ARG A 136 5.557 9.590 5.868 1.00 22.13 H new ATOM 1257 N SER A 137 13.026 7.690 2.614 1.00 2.10 N ATOM 1258 CA SER A 137 13.863 8.748 3.168 1.00 14.32 C ATOM 1259 C SER A 137 15.162 8.883 2.380 1.00 71.31 C ATOM 1260 O SER A 137 15.881 9.874 2.509 1.00 40.24 O ATOM 1261 CB SER A 137 14.172 8.465 4.639 1.00 24.23 C ATOM 1262 OG SER A 137 13.140 8.950 5.481 1.00 44.05 O ATOM 0 H SER A 137 13.240 6.756 2.964 1.00 2.10 H new ATOM 0 HA SER A 137 13.315 9.687 3.093 1.00 14.32 H new ATOM 0 HB2 SER A 137 14.293 7.392 4.788 1.00 24.23 H new ATOM 0 HB3 SER A 137 15.118 8.933 4.911 1.00 24.23 H new ATOM 0 HG SER A 137 13.361 8.755 6.415 1.00 44.05 H new ATOM 1268 N THR A 138 15.457 7.877 1.562 1.00 4.01 N ATOM 1269 CA THR A 138 16.670 7.881 0.753 1.00 33.42 C ATOM 1270 C THR A 138 16.339 7.830 -0.734 1.00 15.10 C ATOM 1271 O THR A 138 15.311 7.281 -1.133 1.00 5.14 O ATOM 1272 CB THR A 138 17.583 6.691 1.105 1.00 42.32 C ATOM 1273 OG1 THR A 138 17.904 6.715 2.500 1.00 13.52 O ATOM 1274 CG2 THR A 138 18.864 6.731 0.284 1.00 14.44 C ATOM 0 H THR A 138 14.873 7.050 1.442 1.00 4.01 H new ATOM 0 HA THR A 138 17.195 8.810 0.974 1.00 33.42 H new ATOM 0 HB THR A 138 17.049 5.770 0.872 1.00 42.32 H new ATOM 0 HG1 THR A 138 18.265 5.844 2.768 1.00 13.52 H new ATOM 0 HG21 THR A 138 19.493 5.881 0.550 1.00 14.44 H new ATOM 0 HG22 THR A 138 18.618 6.683 -0.777 1.00 14.44 H new ATOM 0 HG23 THR A 138 19.400 7.658 0.491 1.00 14.44 H new ATOM 1282 N SER A 139 17.215 8.406 -1.551 1.00 22.34 N ATOM 1283 CA SER A 139 17.014 8.429 -2.995 1.00 32.23 C ATOM 1284 C SER A 139 16.574 7.059 -3.504 1.00 11.52 C ATOM 1285 O SER A 139 16.657 6.062 -2.787 1.00 73.22 O ATOM 1286 CB SER A 139 18.299 8.860 -3.703 1.00 42.13 C ATOM 1287 OG SER A 139 19.310 7.876 -3.571 1.00 33.53 O ATOM 0 H SER A 139 18.071 8.863 -1.237 1.00 22.34 H new ATOM 0 HA SER A 139 16.227 9.150 -3.216 1.00 32.23 H new ATOM 0 HB2 SER A 139 18.094 9.036 -4.759 1.00 42.13 H new ATOM 0 HB3 SER A 139 18.649 9.804 -3.285 1.00 42.13 H new ATOM 0 HG SER A 139 20.120 8.175 -4.034 1.00 33.53 H new ATOM 1293 N VAL A 140 16.105 7.020 -4.747 1.00 64.21 N ATOM 1294 CA VAL A 140 15.653 5.774 -5.354 1.00 71.13 C ATOM 1295 C VAL A 140 16.314 5.551 -6.710 1.00 2.13 C ATOM 1296 O VAL A 140 16.972 4.534 -6.932 1.00 13.44 O ATOM 1297 CB VAL A 140 14.123 5.760 -5.533 1.00 62.22 C ATOM 1298 CG1 VAL A 140 13.642 4.367 -5.911 1.00 44.12 C ATOM 1299 CG2 VAL A 140 13.435 6.245 -4.266 1.00 74.15 C ATOM 0 H VAL A 140 16.028 7.837 -5.353 1.00 64.21 H new ATOM 0 HA VAL A 140 15.940 4.970 -4.677 1.00 71.13 H new ATOM 0 HB VAL A 140 13.863 6.440 -6.344 1.00 62.22 H new ATOM 0 HG11 VAL A 140 12.559 4.377 -6.033 1.00 44.12 H new ATOM 0 HG12 VAL A 140 14.110 4.062 -6.847 1.00 44.12 H new ATOM 0 HG13 VAL A 140 13.912 3.663 -5.124 1.00 44.12 H new ATOM 0 HG21 VAL A 140 12.355 6.229 -4.410 1.00 74.15 H new ATOM 0 HG22 VAL A 140 13.700 5.592 -3.435 1.00 74.15 H new ATOM 0 HG23 VAL A 140 13.756 7.263 -4.044 1.00 74.15 H new ATOM 1309 N SER A 141 16.136 6.509 -7.614 1.00 11.24 N ATOM 1310 CA SER A 141 16.713 6.417 -8.950 1.00 33.43 C ATOM 1311 C SER A 141 18.135 6.967 -8.967 1.00 3.54 C ATOM 1312 O SER A 141 18.423 7.993 -8.349 1.00 51.02 O ATOM 1313 CB SER A 141 15.847 7.177 -9.956 1.00 10.52 C ATOM 1314 OG SER A 141 15.477 6.346 -11.042 1.00 21.10 O ATOM 0 H SER A 141 15.597 7.358 -7.445 1.00 11.24 H new ATOM 0 HA SER A 141 16.746 5.365 -9.233 1.00 33.43 H new ATOM 0 HB2 SER A 141 14.952 7.552 -9.460 1.00 10.52 H new ATOM 0 HB3 SER A 141 16.392 8.045 -10.327 1.00 10.52 H new ATOM 0 HG SER A 141 14.591 5.963 -10.873 1.00 21.10 H new ATOM 1320 N ARG A 142 19.021 6.278 -9.678 1.00 44.51 N ATOM 1321 CA ARG A 142 20.415 6.697 -9.775 1.00 74.13 C ATOM 1322 C ARG A 142 20.605 7.691 -10.917 1.00 3.20 C ATOM 1323 O ARG A 142 21.677 7.764 -11.517 1.00 13.20 O ATOM 1324 CB ARG A 142 21.321 5.482 -9.986 1.00 14.41 C ATOM 1325 CG ARG A 142 20.952 4.290 -9.118 1.00 44.11 C ATOM 1326 CD ARG A 142 22.183 3.665 -8.479 1.00 14.32 C ATOM 1327 NE ARG A 142 22.307 4.021 -7.068 1.00 13.32 N ATOM 1328 CZ ARG A 142 23.367 3.724 -6.325 1.00 61.53 C ATOM 1329 NH1 ARG A 142 24.390 3.068 -6.857 1.00 11.52 N ATOM 1330 NH2 ARG A 142 23.406 4.082 -5.048 1.00 70.42 N ATOM 0 H ARG A 142 18.799 5.427 -10.195 1.00 44.51 H new ATOM 0 HA ARG A 142 20.687 7.187 -8.840 1.00 74.13 H new ATOM 0 HB2 ARG A 142 21.278 5.185 -11.034 1.00 14.41 H new ATOM 0 HB3 ARG A 142 22.352 5.767 -9.777 1.00 14.41 H new ATOM 0 HG2 ARG A 142 20.257 4.606 -8.340 1.00 44.11 H new ATOM 0 HG3 ARG A 142 20.436 3.544 -9.722 1.00 44.11 H new ATOM 0 HD2 ARG A 142 22.131 2.581 -8.576 1.00 14.32 H new ATOM 0 HD3 ARG A 142 23.075 3.991 -9.015 1.00 14.32 H new ATOM 0 HE ARG A 142 21.537 4.526 -6.629 1.00 13.32 H new ATOM 0 HH11 ARG A 142 24.363 2.791 -7.838 1.00 11.52 H new ATOM 0 HH12 ARG A 142 25.203 2.841 -6.285 1.00 11.52 H new ATOM 0 HH21 ARG A 142 22.621 4.586 -4.635 1.00 70.42 H new ATOM 0 HH22 ARG A 142 24.221 3.853 -4.479 1.00 70.42 H new ATOM 1344 N ASN A 143 19.558 8.454 -11.211 1.00 53.43 N ATOM 1345 CA ASN A 143 19.609 9.444 -12.282 1.00 24.34 C ATOM 1346 C ASN A 143 19.226 10.826 -11.763 1.00 50.44 C ATOM 1347 O ASN A 143 19.921 11.809 -12.017 1.00 44.44 O ATOM 1348 CB ASN A 143 18.676 9.038 -13.425 1.00 4.35 C ATOM 1349 CG ASN A 143 19.433 8.673 -14.687 1.00 23.33 C ATOM 1350 OD1 ASN A 143 19.294 9.328 -15.719 1.00 54.24 O ATOM 1351 ND2 ASN A 143 20.240 7.621 -14.609 1.00 23.02 N ATOM 0 H ASN A 143 18.664 8.406 -10.723 1.00 53.43 H new ATOM 0 HA ASN A 143 20.632 9.487 -12.656 1.00 24.34 H new ATOM 0 HB2 ASN A 143 18.069 8.189 -13.111 1.00 4.35 H new ATOM 0 HB3 ASN A 143 17.991 9.858 -13.640 1.00 4.35 H new ATOM 0 HD21 ASN A 143 20.775 7.327 -15.426 1.00 23.02 H new ATOM 0 HD22 ASN A 143 20.324 7.107 -13.732 1.00 23.02 H new ATOM 1358 N GLN A 144 18.116 10.893 -11.036 1.00 33.33 N ATOM 1359 CA GLN A 144 17.640 12.155 -10.482 1.00 22.11 C ATOM 1360 C GLN A 144 17.472 12.057 -8.969 1.00 62.22 C ATOM 1361 O GLN A 144 17.932 11.101 -8.346 1.00 21.33 O ATOM 1362 CB GLN A 144 16.313 12.552 -11.130 1.00 14.44 C ATOM 1363 CG GLN A 144 16.308 13.965 -11.691 1.00 45.11 C ATOM 1364 CD GLN A 144 15.191 14.816 -11.122 1.00 14.14 C ATOM 1365 OE1 GLN A 144 15.434 15.875 -10.541 1.00 64.55 O ATOM 1366 NE2 GLN A 144 13.955 14.357 -11.285 1.00 1.43 N ATOM 0 H GLN A 144 17.529 10.088 -10.817 1.00 33.33 H new ATOM 0 HA GLN A 144 18.385 12.921 -10.697 1.00 22.11 H new ATOM 0 HB2 GLN A 144 16.086 11.851 -11.933 1.00 14.44 H new ATOM 0 HB3 GLN A 144 15.516 12.460 -10.392 1.00 14.44 H new ATOM 0 HG2 GLN A 144 17.266 14.440 -11.477 1.00 45.11 H new ATOM 0 HG3 GLN A 144 16.209 13.921 -12.776 1.00 45.11 H new ATOM 0 HE21 GLN A 144 13.799 13.475 -11.773 1.00 1.43 H new ATOM 0 HE22 GLN A 144 13.162 14.887 -10.923 1.00 1.43 H new ATOM 1375 N GLN A 145 16.811 13.052 -8.386 1.00 63.24 N ATOM 1376 CA GLN A 145 16.584 13.077 -6.946 1.00 42.13 C ATOM 1377 C GLN A 145 15.110 12.856 -6.624 1.00 21.33 C ATOM 1378 O GLN A 145 14.337 13.809 -6.524 1.00 72.22 O ATOM 1379 CB GLN A 145 17.053 14.409 -6.358 1.00 53.22 C ATOM 1380 CG GLN A 145 18.548 14.464 -6.091 1.00 22.22 C ATOM 1381 CD GLN A 145 19.001 15.818 -5.582 1.00 41.11 C ATOM 1382 OE1 GLN A 145 18.196 16.611 -5.092 1.00 43.03 O ATOM 1383 NE2 GLN A 145 20.296 16.091 -5.695 1.00 73.25 N ATOM 0 H GLN A 145 16.424 13.851 -8.888 1.00 63.24 H new ATOM 0 HA GLN A 145 17.160 12.267 -6.498 1.00 42.13 H new ATOM 0 HB2 GLN A 145 16.785 15.213 -7.043 1.00 53.22 H new ATOM 0 HB3 GLN A 145 16.519 14.593 -5.426 1.00 53.22 H new ATOM 0 HG2 GLN A 145 18.811 13.699 -5.360 1.00 22.22 H new ATOM 0 HG3 GLN A 145 19.086 14.227 -7.009 1.00 22.22 H new ATOM 0 HE21 GLN A 145 20.928 15.405 -6.107 1.00 73.25 H new ATOM 0 HE22 GLN A 145 20.659 16.987 -5.369 1.00 73.25 H new ATOM 1392 N ILE A 146 14.728 11.593 -6.462 1.00 1.41 N ATOM 1393 CA ILE A 146 13.347 11.248 -6.150 1.00 31.11 C ATOM 1394 C ILE A 146 13.276 10.264 -4.987 1.00 74.21 C ATOM 1395 O ILE A 146 14.191 9.469 -4.776 1.00 25.43 O ATOM 1396 CB ILE A 146 12.630 10.638 -7.369 1.00 21.42 C ATOM 1397 CG1 ILE A 146 12.680 11.604 -8.554 1.00 11.22 C ATOM 1398 CG2 ILE A 146 11.190 10.294 -7.019 1.00 21.40 C ATOM 1399 CD1 ILE A 146 12.416 10.940 -9.887 1.00 33.01 C ATOM 0 H ILE A 146 15.355 10.793 -6.542 1.00 1.41 H new ATOM 0 HA ILE A 146 12.845 12.174 -5.870 1.00 31.11 H new ATOM 0 HB ILE A 146 13.144 9.719 -7.652 1.00 21.42 H new ATOM 0 HG12 ILE A 146 11.945 12.394 -8.399 1.00 11.22 H new ATOM 0 HG13 ILE A 146 13.660 12.081 -8.583 1.00 11.22 H new ATOM 0 HG21 ILE A 146 10.697 9.864 -7.891 1.00 21.40 H new ATOM 0 HG22 ILE A 146 11.177 9.573 -6.202 1.00 21.40 H new ATOM 0 HG23 ILE A 146 10.664 11.198 -6.714 1.00 21.40 H new ATOM 0 HD11 ILE A 146 12.467 11.685 -10.681 1.00 33.01 H new ATOM 0 HD12 ILE A 146 13.166 10.169 -10.064 1.00 33.01 H new ATOM 0 HD13 ILE A 146 11.425 10.487 -9.878 1.00 33.01 H new ATOM 1411 N PHE A 147 12.181 10.322 -4.236 1.00 73.13 N ATOM 1412 CA PHE A 147 11.989 9.435 -3.095 1.00 14.13 C ATOM 1413 C PHE A 147 10.843 8.460 -3.350 1.00 11.30 C ATOM 1414 O PHE A 147 10.081 8.616 -4.305 1.00 14.41 O ATOM 1415 CB PHE A 147 11.708 10.250 -1.831 1.00 12.15 C ATOM 1416 CG PHE A 147 12.830 11.173 -1.451 1.00 0.32 C ATOM 1417 CD1 PHE A 147 14.144 10.735 -1.476 1.00 21.34 C ATOM 1418 CD2 PHE A 147 12.571 12.480 -1.068 1.00 73.44 C ATOM 1419 CE1 PHE A 147 15.179 11.582 -1.127 1.00 62.21 C ATOM 1420 CE2 PHE A 147 13.602 13.331 -0.719 1.00 53.33 C ATOM 1421 CZ PHE A 147 14.907 12.882 -0.747 1.00 64.44 C ATOM 0 H PHE A 147 11.413 10.974 -4.397 1.00 73.13 H new ATOM 0 HA PHE A 147 12.905 8.862 -2.954 1.00 14.13 H new ATOM 0 HB2 PHE A 147 10.801 10.836 -1.980 1.00 12.15 H new ATOM 0 HB3 PHE A 147 11.514 9.567 -1.004 1.00 12.15 H new ATOM 0 HD1 PHE A 147 14.362 9.719 -1.772 1.00 21.34 H new ATOM 0 HD2 PHE A 147 11.552 12.837 -1.042 1.00 73.44 H new ATOM 0 HE1 PHE A 147 16.199 11.228 -1.151 1.00 62.21 H new ATOM 0 HE2 PHE A 147 13.387 14.347 -0.424 1.00 53.33 H new ATOM 0 HZ PHE A 147 15.714 13.546 -0.472 1.00 64.44 H new ATOM 1431 N LEU A 148 10.728 7.454 -2.490 1.00 71.04 N ATOM 1432 CA LEU A 148 9.676 6.452 -2.622 1.00 13.02 C ATOM 1433 C LEU A 148 8.361 6.963 -2.040 1.00 44.25 C ATOM 1434 O LEU A 148 8.227 7.119 -0.827 1.00 30.33 O ATOM 1435 CB LEU A 148 10.087 5.157 -1.920 1.00 24.40 C ATOM 1436 CG LEU A 148 9.930 3.872 -2.735 1.00 42.51 C ATOM 1437 CD1 LEU A 148 11.161 3.633 -3.596 1.00 32.42 C ATOM 1438 CD2 LEU A 148 9.680 2.685 -1.817 1.00 13.23 C ATOM 0 H LEU A 148 11.350 7.311 -1.694 1.00 71.04 H new ATOM 0 HA LEU A 148 9.530 6.253 -3.684 1.00 13.02 H new ATOM 0 HB2 LEU A 148 11.130 5.247 -1.618 1.00 24.40 H new ATOM 0 HB3 LEU A 148 9.498 5.059 -1.008 1.00 24.40 H new ATOM 0 HG LEU A 148 9.068 3.984 -3.393 1.00 42.51 H new ATOM 0 HD11 LEU A 148 11.032 2.715 -4.169 1.00 32.42 H new ATOM 0 HD12 LEU A 148 11.295 4.471 -4.280 1.00 32.42 H new ATOM 0 HD13 LEU A 148 12.040 3.542 -2.957 1.00 32.42 H new ATOM 0 HD21 LEU A 148 9.571 1.780 -2.414 1.00 13.23 H new ATOM 0 HD22 LEU A 148 10.522 2.570 -1.134 1.00 13.23 H new ATOM 0 HD23 LEU A 148 8.768 2.854 -1.244 1.00 13.23 H new ATOM 1450 N ARG A 149 7.394 7.221 -2.915 1.00 21.43 N ATOM 1451 CA ARG A 149 6.090 7.713 -2.488 1.00 51.01 C ATOM 1452 C ARG A 149 5.133 6.555 -2.220 1.00 12.31 C ATOM 1453 O ARG A 149 5.046 5.613 -3.008 1.00 11.31 O ATOM 1454 CB ARG A 149 5.499 8.642 -3.551 1.00 21.53 C ATOM 1455 CG ARG A 149 6.330 9.890 -3.798 1.00 53.14 C ATOM 1456 CD ARG A 149 6.068 10.952 -2.742 1.00 22.23 C ATOM 1457 NE ARG A 149 7.221 11.827 -2.548 1.00 24.33 N ATOM 1458 CZ ARG A 149 7.209 12.896 -1.759 1.00 75.32 C ATOM 1459 NH1 ARG A 149 6.108 13.220 -1.094 1.00 62.22 N ATOM 1460 NH2 ARG A 149 8.298 13.643 -1.634 1.00 61.43 N ATOM 0 H ARG A 149 7.489 7.097 -3.923 1.00 21.43 H new ATOM 0 HA ARG A 149 6.225 8.271 -1.562 1.00 51.01 H new ATOM 0 HB2 ARG A 149 5.398 8.092 -4.487 1.00 21.53 H new ATOM 0 HB3 ARG A 149 4.496 8.938 -3.245 1.00 21.53 H new ATOM 0 HG2 ARG A 149 7.388 9.629 -3.799 1.00 53.14 H new ATOM 0 HG3 ARG A 149 6.100 10.292 -4.785 1.00 53.14 H new ATOM 0 HD2 ARG A 149 5.205 11.549 -3.035 1.00 22.23 H new ATOM 0 HD3 ARG A 149 5.816 10.470 -1.798 1.00 22.23 H new ATOM 0 HE ARG A 149 8.083 11.605 -3.046 1.00 24.33 H new ATOM 0 HH11 ARG A 149 5.269 12.648 -1.188 1.00 62.22 H new ATOM 0 HH12 ARG A 149 6.101 14.041 -0.489 1.00 62.22 H new ATOM 0 HH21 ARG A 149 9.146 13.397 -2.144 1.00 61.43 H new ATOM 0 HH22 ARG A 149 8.287 14.463 -1.028 1.00 61.43 H new ATOM 1474 N ASP A 150 4.417 6.633 -1.103 1.00 64.43 N ATOM 1475 CA ASP A 150 3.466 5.592 -0.731 1.00 61.20 C ATOM 1476 C ASP A 150 2.278 5.574 -1.687 1.00 52.55 C ATOM 1477 O ASP A 150 1.462 6.497 -1.696 1.00 33.54 O ATOM 1478 CB ASP A 150 2.979 5.805 0.703 1.00 3.31 C ATOM 1479 CG ASP A 150 2.987 7.267 1.106 1.00 63.14 C ATOM 1480 OD1 ASP A 150 2.703 8.122 0.241 1.00 72.40 O ATOM 1481 OD2 ASP A 150 3.279 7.556 2.285 1.00 0.32 O ATOM 0 H ASP A 150 4.477 7.406 -0.440 1.00 64.43 H new ATOM 0 HA ASP A 150 3.975 4.630 -0.795 1.00 61.20 H new ATOM 0 HB2 ASP A 150 1.968 5.409 0.803 1.00 3.31 H new ATOM 0 HB3 ASP A 150 3.612 5.239 1.386 1.00 3.31 H new ATOM 1486 N ILE A 151 2.188 4.521 -2.492 1.00 40.03 N ATOM 1487 CA ILE A 151 1.100 4.384 -3.452 1.00 52.33 C ATOM 1488 C ILE A 151 -0.256 4.540 -2.772 1.00 51.21 C ATOM 1489 O ILE A 151 -0.446 4.101 -1.638 1.00 54.35 O ATOM 1490 CB ILE A 151 1.149 3.022 -4.168 1.00 74.43 C ATOM 1491 CG1 ILE A 151 0.341 3.074 -5.467 1.00 44.21 C ATOM 1492 CG2 ILE A 151 0.622 1.924 -3.255 1.00 44.43 C ATOM 1493 CD1 ILE A 151 -0.107 1.715 -5.955 1.00 60.53 C ATOM 0 H ILE A 151 2.856 3.750 -2.498 1.00 40.03 H new ATOM 0 HA ILE A 151 1.228 5.177 -4.189 1.00 52.33 H new ATOM 0 HB ILE A 151 2.186 2.796 -4.416 1.00 74.43 H new ATOM 0 HG12 ILE A 151 -0.536 3.704 -5.315 1.00 44.21 H new ATOM 0 HG13 ILE A 151 0.944 3.549 -6.241 1.00 44.21 H new ATOM 0 HG21 ILE A 151 0.663 0.967 -3.775 1.00 44.43 H new ATOM 0 HG22 ILE A 151 1.235 1.874 -2.355 1.00 44.43 H new ATOM 0 HG23 ILE A 151 -0.410 2.143 -2.980 1.00 44.43 H new ATOM 0 HD11 ILE A 151 -0.674 1.829 -6.879 1.00 60.53 H new ATOM 0 HD12 ILE A 151 0.766 1.089 -6.139 1.00 60.53 H new ATOM 0 HD13 ILE A 151 -0.737 1.246 -5.199 1.00 60.53 H new ATOM 1505 N GLU A 152 -1.195 5.167 -3.474 1.00 35.23 N ATOM 1506 CA GLU A 152 -2.535 5.379 -2.937 1.00 44.41 C ATOM 1507 C GLU A 152 -3.393 4.129 -3.106 1.00 53.34 C ATOM 1508 O GLU A 152 -4.046 3.947 -4.134 1.00 0.53 O ATOM 1509 CB GLU A 152 -3.203 6.568 -3.630 1.00 51.43 C ATOM 1510 CG GLU A 152 -4.713 6.598 -3.466 1.00 53.22 C ATOM 1511 CD GLU A 152 -5.260 8.008 -3.354 1.00 53.14 C ATOM 1512 OE1 GLU A 152 -5.229 8.739 -4.366 1.00 53.12 O ATOM 1513 OE2 GLU A 152 -5.720 8.380 -2.254 1.00 44.02 O ATOM 0 H GLU A 152 -1.053 5.536 -4.414 1.00 35.23 H new ATOM 0 HA GLU A 152 -2.443 5.593 -1.872 1.00 44.41 H new ATOM 0 HB2 GLU A 152 -2.784 7.492 -3.232 1.00 51.43 H new ATOM 0 HB3 GLU A 152 -2.962 6.541 -4.693 1.00 51.43 H new ATOM 0 HG2 GLU A 152 -5.177 6.099 -4.317 1.00 53.22 H new ATOM 0 HG3 GLU A 152 -4.989 6.033 -2.576 1.00 53.22 H new ATOM 1520 N GLN A 153 -3.386 3.272 -2.091 1.00 71.31 N ATOM 1521 CA GLN A 153 -4.163 2.038 -2.128 1.00 0.40 C ATOM 1522 C GLN A 153 -5.499 2.258 -2.830 1.00 31.51 C ATOM 1523 O GLN A 153 -6.066 3.349 -2.781 1.00 52.10 O ATOM 1524 CB GLN A 153 -4.398 1.516 -0.710 1.00 11.24 C ATOM 1525 CG GLN A 153 -4.607 0.012 -0.642 1.00 24.02 C ATOM 1526 CD GLN A 153 -5.914 -0.367 0.025 1.00 55.52 C ATOM 1527 OE1 GLN A 153 -6.529 0.445 0.717 1.00 13.03 O ATOM 1528 NE2 GLN A 153 -6.348 -1.605 -0.181 1.00 44.22 N ATOM 0 H GLN A 153 -2.851 3.409 -1.233 1.00 71.31 H new ATOM 0 HA GLN A 153 -3.595 1.297 -2.690 1.00 0.40 H new ATOM 0 HB2 GLN A 153 -3.545 1.784 -0.087 1.00 11.24 H new ATOM 0 HB3 GLN A 153 -5.270 2.015 -0.288 1.00 11.24 H new ATOM 0 HG2 GLN A 153 -4.586 -0.400 -1.651 1.00 24.02 H new ATOM 0 HG3 GLN A 153 -3.780 -0.441 -0.095 1.00 24.02 H new ATOM 0 HE21 GLN A 153 -5.806 -2.245 -0.762 1.00 44.22 H new ATOM 0 HE22 GLN A 153 -7.223 -1.916 0.241 1.00 44.22 H new ATOM 1537 N VAL A 154 -5.997 1.213 -3.483 1.00 72.53 N ATOM 1538 CA VAL A 154 -7.267 1.290 -4.195 1.00 14.41 C ATOM 1539 C VAL A 154 -8.248 2.206 -3.471 1.00 21.03 C ATOM 1540 O VAL A 154 -8.534 2.037 -2.285 1.00 63.12 O ATOM 1541 CB VAL A 154 -7.906 -0.102 -4.357 1.00 50.23 C ATOM 1542 CG1 VAL A 154 -7.860 -0.867 -3.044 1.00 24.23 C ATOM 1543 CG2 VAL A 154 -9.336 0.024 -4.860 1.00 52.03 C ATOM 0 H VAL A 154 -5.540 0.303 -3.534 1.00 72.53 H new ATOM 0 HA VAL A 154 -7.052 1.699 -5.182 1.00 14.41 H new ATOM 0 HB VAL A 154 -7.333 -0.662 -5.096 1.00 50.23 H new ATOM 0 HG11 VAL A 154 -8.316 -1.848 -3.178 1.00 24.23 H new ATOM 0 HG12 VAL A 154 -6.823 -0.989 -2.730 1.00 24.23 H new ATOM 0 HG13 VAL A 154 -8.408 -0.314 -2.281 1.00 24.23 H new ATOM 0 HG21 VAL A 154 -9.772 -0.969 -4.969 1.00 52.03 H new ATOM 0 HG22 VAL A 154 -9.923 0.602 -4.146 1.00 52.03 H new ATOM 0 HG23 VAL A 154 -9.339 0.529 -5.826 1.00 52.03 H new ATOM 1553 N PRO A 155 -8.777 3.200 -4.199 1.00 12.21 N ATOM 1554 CA PRO A 155 -9.735 4.162 -3.647 1.00 13.53 C ATOM 1555 C PRO A 155 -11.089 3.527 -3.350 1.00 54.10 C ATOM 1556 O PRO A 155 -11.450 2.509 -3.941 1.00 4.43 O ATOM 1557 CB PRO A 155 -9.867 5.209 -4.756 1.00 71.44 C ATOM 1558 CG PRO A 155 -9.517 4.480 -6.008 1.00 30.44 C ATOM 1559 CD PRO A 155 -8.482 3.461 -5.618 1.00 4.33 C ATOM 0 HA PRO A 155 -9.398 4.571 -2.694 1.00 13.53 H new ATOM 0 HB2 PRO A 155 -10.879 5.612 -4.802 1.00 71.44 H new ATOM 0 HB3 PRO A 155 -9.196 6.051 -4.587 1.00 71.44 H new ATOM 0 HG2 PRO A 155 -10.395 3.999 -6.438 1.00 30.44 H new ATOM 0 HG3 PRO A 155 -9.127 5.164 -6.762 1.00 30.44 H new ATOM 0 HD2 PRO A 155 -8.564 2.555 -6.219 1.00 4.33 H new ATOM 0 HD3 PRO A 155 -7.470 3.843 -5.754 1.00 4.33 H new ATOM 1567 N GLN A 156 -11.835 4.135 -2.432 1.00 64.43 N ATOM 1568 CA GLN A 156 -13.149 3.627 -2.058 1.00 72.31 C ATOM 1569 C GLN A 156 -14.080 4.767 -1.659 1.00 2.14 C ATOM 1570 O GLN A 156 -14.185 5.111 -0.482 1.00 22.34 O ATOM 1571 CB GLN A 156 -13.024 2.627 -0.907 1.00 14.31 C ATOM 1572 CG GLN A 156 -14.138 1.593 -0.876 1.00 64.51 C ATOM 1573 CD GLN A 156 -13.655 0.205 -1.252 1.00 15.31 C ATOM 1574 OE1 GLN A 156 -13.079 0.004 -2.321 1.00 52.34 O ATOM 1575 NE2 GLN A 156 -13.889 -0.761 -0.372 1.00 21.40 N ATOM 0 H GLN A 156 -11.551 4.979 -1.935 1.00 64.43 H new ATOM 0 HA GLN A 156 -13.575 3.121 -2.924 1.00 72.31 H new ATOM 0 HB2 GLN A 156 -12.065 2.114 -0.985 1.00 14.31 H new ATOM 0 HB3 GLN A 156 -13.018 3.171 0.037 1.00 14.31 H new ATOM 0 HG2 GLN A 156 -14.574 1.564 0.122 1.00 64.51 H new ATOM 0 HG3 GLN A 156 -14.930 1.896 -1.561 1.00 64.51 H new ATOM 0 HE21 GLN A 156 -14.370 -0.549 0.502 1.00 21.40 H new ATOM 0 HE22 GLN A 156 -13.588 -1.715 -0.570 1.00 21.40 H new ATOM 1584 N GLN A 157 -14.752 5.349 -2.646 1.00 52.32 N ATOM 1585 CA GLN A 157 -15.673 6.452 -2.397 1.00 31.14 C ATOM 1586 C GLN A 157 -15.148 7.360 -1.290 1.00 5.20 C ATOM 1587 O GLN A 157 -15.580 7.291 -0.139 1.00 43.32 O ATOM 1588 CB GLN A 157 -17.055 5.915 -2.019 1.00 24.22 C ATOM 1589 CG GLN A 157 -18.130 6.987 -1.964 1.00 54.53 C ATOM 1590 CD GLN A 157 -18.547 7.467 -3.341 1.00 22.21 C ATOM 1591 OE1 GLN A 157 -19.367 6.836 -4.009 1.00 1.13 O ATOM 1592 NE2 GLN A 157 -17.983 8.588 -3.773 1.00 44.43 N ATOM 0 H GLN A 157 -14.676 5.076 -3.626 1.00 52.32 H new ATOM 0 HA GLN A 157 -15.756 7.037 -3.313 1.00 31.14 H new ATOM 0 HB2 GLN A 157 -17.350 5.154 -2.741 1.00 24.22 H new ATOM 0 HB3 GLN A 157 -16.992 5.425 -1.047 1.00 24.22 H new ATOM 0 HG2 GLN A 157 -19.002 6.595 -1.441 1.00 54.53 H new ATOM 0 HG3 GLN A 157 -17.764 7.834 -1.384 1.00 54.53 H new ATOM 0 HE21 GLN A 157 -17.308 9.079 -3.186 1.00 44.43 H new ATOM 0 HE22 GLN A 157 -18.224 8.959 -4.692 1.00 44.43 H new ATOM 1601 N PRO A 158 -14.192 8.233 -1.644 1.00 30.44 N ATOM 1602 CA PRO A 158 -13.587 9.172 -0.694 1.00 61.35 C ATOM 1603 C PRO A 158 -14.559 10.263 -0.259 1.00 21.21 C ATOM 1604 O PRO A 158 -15.554 10.529 -0.934 1.00 61.12 O ATOM 1605 CB PRO A 158 -12.424 9.776 -1.486 1.00 13.02 C ATOM 1606 CG PRO A 158 -12.826 9.638 -2.914 1.00 1.22 C ATOM 1607 CD PRO A 158 -13.629 8.370 -2.997 1.00 73.15 C ATOM 0 HA PRO A 158 -13.282 8.679 0.229 1.00 61.35 H new ATOM 0 HB2 PRO A 158 -12.264 10.821 -1.219 1.00 13.02 H new ATOM 0 HB3 PRO A 158 -11.492 9.249 -1.284 1.00 13.02 H new ATOM 0 HG2 PRO A 158 -13.416 10.495 -3.238 1.00 1.22 H new ATOM 0 HG3 PRO A 158 -11.951 9.589 -3.563 1.00 1.22 H new ATOM 0 HD2 PRO A 158 -14.412 8.439 -3.753 1.00 73.15 H new ATOM 0 HD3 PRO A 158 -13.005 7.516 -3.261 1.00 73.15 H new ATOM 1615 N THR A 159 -14.265 10.893 0.874 1.00 10.22 N ATOM 1616 CA THR A 159 -15.113 11.955 1.400 1.00 13.12 C ATOM 1617 C THR A 159 -14.284 13.024 2.102 1.00 10.24 C ATOM 1618 O THR A 159 -13.077 12.844 2.259 1.00 74.54 O ATOM 1619 CB THR A 159 -16.159 11.402 2.387 1.00 42.10 C ATOM 1620 OG1 THR A 159 -17.120 10.604 1.687 1.00 43.35 O ATOM 1621 CG2 THR A 159 -16.867 12.534 3.116 1.00 41.21 C ATOM 0 H THR A 159 -13.446 10.686 1.445 1.00 10.22 H new ATOM 0 HA THR A 159 -15.627 12.400 0.548 1.00 13.12 H new ATOM 0 HB THR A 159 -15.642 10.785 3.122 1.00 42.10 H new ATOM 0 HG1 THR A 159 -17.780 10.255 2.322 1.00 43.35 H new ATOM 0 HG21 THR A 159 -17.601 12.119 3.807 1.00 41.21 H new ATOM 0 HG22 THR A 159 -16.137 13.122 3.672 1.00 41.21 H new ATOM 0 HG23 THR A 159 -17.372 13.174 2.392 1.00 41.21 H new TER 1629 THR A 159 HETATM 1630 CBR DTF A 174 21.626 -9.467 -8.321 1.00 72.40 C HETATM 1631 CAU DTF A 174 22.273 -8.230 -8.183 1.00 65.13 C HETATM 1632 CAL DTF A 174 22.922 -7.889 -7.004 1.00 3.25 C HETATM 1633 CAK DTF A 174 22.968 -8.787 -5.946 1.00 43.23 C HETATM 1634 CAS DTF A 174 22.346 -10.025 -6.040 1.00 64.24 C HETATM 1635 CBQ DTF A 174 21.659 -10.380 -7.205 1.00 15.40 C HETATM 1636 CAT DTF A 174 21.006 -11.605 -7.296 1.00 35.24 C HETATM 1637 CAM DTF A 174 20.342 -11.963 -8.461 1.00 2.01 C HETATM 1638 CAP DTF A 174 20.317 -11.103 -9.551 1.00 5.23 C HETATM 1639 CBP DTF A 174 20.943 -9.852 -9.502 1.00 72.03 C HETATM 1640 CBE DTF A 174 20.896 -8.999 -10.802 1.00 44.33 C HETATM 1641 CBT DTF A 174 20.092 -7.655 -10.710 1.00 73.13 C HETATM 1642 CAY DTF A 174 18.601 -7.921 -11.080 1.00 5.23 C HETATM 1643 CAI DTF A 174 17.666 -6.729 -11.173 1.00 64.34 C HETATM 1644 CAJ DTF A 174 16.699 -6.636 -12.093 1.00 11.24 C HETATM 1645 CBB DTF A 174 20.856 -6.517 -11.467 1.00 45.40 C HETATM 1646 NBG DTF A 174 20.422 -5.124 -11.180 1.00 22.43 N HETATM 1647 C DTF A 174 20.503 -4.540 -9.963 1.00 65.31 C HETATM 1648 O DTF A 174 21.054 -5.108 -9.015 1.00 43.40 O HETATM 1649 CA DTF A 174 19.917 -3.089 -9.764 1.00 13.11 C HETATM 1650 CB DTF A 174 19.437 -2.729 -8.326 1.00 24.15 C HETATM 1651 CG DTF A 174 18.345 -3.602 -7.694 1.00 21.30 C HETATM 1652 OD1 DTF A 174 17.156 -3.444 -7.943 1.00 32.33 O HETATM 1653 ND2 DTF A 174 18.706 -4.528 -6.846 1.00 22.24 N HETATM 1654 N DTF A 174 18.794 -2.690 -10.667 1.00 43.24 N HETATM 1655 CBM DTF A 174 18.876 -1.693 -11.569 1.00 53.22 C HETATM 1656 OAE DTF A 174 19.927 -1.052 -11.681 1.00 13.10 O HETATM 1657 CBV DTF A 174 17.582 -1.310 -12.435 1.00 31.53 C HETATM 1658 CAZ DTF A 174 17.998 -0.574 -13.764 1.00 73.31 C HETATM 1659 CAW DTF A 174 16.890 0.201 -14.532 1.00 64.13 C HETATM 1660 CAV DTF A 174 16.023 1.094 -13.612 1.00 61.50 C HETATM 1661 CAX DTF A 174 15.539 0.386 -12.327 1.00 43.21 C HETATM 1662 CBA DTF A 174 16.716 -0.311 -11.582 1.00 30.34 C HETATM 1663 NBI DTF A 174 16.629 -2.435 -12.731 1.00 53.12 N HETATM 1664 CBK DTF A 174 16.952 -3.599 -13.293 1.00 73.44 C HETATM 1665 OAC DTF A 174 18.080 -3.879 -13.692 1.00 21.53 O HETATM 1666 CBC DTF A 174 15.800 -4.604 -13.374 1.00 15.31 C HETATM 1667 CBS DTF A 174 15.639 -5.534 -12.134 1.00 23.41 C HETATM 1668 CBO DTF A 174 14.226 -6.178 -12.048 1.00 20.41 C HETATM 1669 CAR DTF A 174 13.468 -6.034 -10.877 1.00 35.22 C HETATM 1670 CAO DTF A 174 12.222 -6.647 -10.760 1.00 1.10 C HETATM 1671 CAQ DTF A 174 13.688 -6.922 -13.112 1.00 62.31 C HETATM 1672 CAN DTF A 174 12.446 -7.534 -12.993 1.00 64.33 C HETATM 1673 CBN DTF A 174 11.716 -7.414 -11.810 1.00 34.30 C HETATM 1674 CBF DTF A 174 10.392 -8.165 -11.652 1.00 50.34 C HETATM 1675 PBW DTF A 174 9.181 -7.770 -12.840 1.00 12.41 P HETATM 1676 OAG DTF A 174 9.323 -8.692 -14.067 1.00 44.12 O HETATM 1677 OAH DTF A 174 9.284 -6.304 -13.321 1.00 43.22 O HETATM 1678 OAF DTF A 174 7.737 -7.988 -12.209 1.00 55.33 O HETATM 0 HBT1 DTF A 174 20.035 -7.263 -9.694 1.00 73.13 H new HETATM 0 HBS1 DTF A 174 15.775 -4.883 -11.270 1.00 23.41 H new HETATM 0 HBF2 DTF A 174 10.590 -9.236 -11.698 1.00 50.34 H new HETATM 0 HBF1 DTF A 174 9.989 -7.958 -10.661 1.00 50.34 H new HETATM 0 HBE2 DTF A 174 21.919 -8.768 -11.100 1.00 44.33 H new HETATM 0 HBE1 DTF A 174 20.462 -9.606 -11.597 1.00 44.33 H new HETATM 0 HBC2 DTF A 174 14.870 -4.055 -13.519 1.00 15.31 H new HETATM 0 HBC1 DTF A 174 15.944 -5.226 -14.258 1.00 15.31 H new HETATM 0 HBB2 DTF A 174 21.916 -6.600 -11.228 1.00 45.40 H new HETATM 0 HBB1 DTF A 174 20.756 -6.692 -12.538 1.00 45.40 H new HETATM 0 HBA2 DTF A 174 16.309 -0.853 -10.729 1.00 30.34 H new HETATM 0 HBA1 DTF A 174 17.375 0.461 -11.184 1.00 30.34 H new HETATM 0 HAZ2 DTF A 174 18.795 0.129 -13.524 1.00 73.31 H new HETATM 0 HAZ1 DTF A 174 18.421 -1.316 -14.441 1.00 73.31 H new HETATM 0 HAY2 DTF A 174 18.582 -8.436 -12.041 1.00 5.23 H new HETATM 0 HAY1 DTF A 174 18.191 -8.610 -10.341 1.00 5.23 H new HETATM 0 HAX2 DTF A 174 15.068 1.113 -11.665 1.00 43.21 H new HETATM 0 HAX1 DTF A 174 14.779 -0.353 -12.582 1.00 43.21 H new HETATM 0 HAW2 DTF A 174 17.354 0.822 -15.298 1.00 64.13 H new HETATM 0 HAW1 DTF A 174 16.246 -0.512 -15.047 1.00 64.13 H new HETATM 0 HAV2 DTF A 174 16.597 1.978 -13.334 1.00 61.50 H new HETATM 0 HAV1 DTF A 174 15.155 1.441 -14.172 1.00 61.50 H new HETATM 0 HAU1 DTF A 174 22.266 -7.525 -9.015 1.00 65.13 H new HETATM 0 HAT1 DTF A 174 21.016 -12.288 -6.447 1.00 35.24 H new HETATM 0 HAS1 DTF A 174 22.393 -10.722 -5.203 1.00 64.24 H new HETATM 0 HAR1 DTF A 174 13.857 -5.438 -10.051 1.00 35.22 H new HETATM 0 HAQ1 DTF A 174 14.251 -7.020 -14.040 1.00 62.31 H new HETATM 0 HAP1 DTF A 174 19.801 -11.408 -10.461 1.00 5.23 H new HETATM 0 HAO1 DTF A 174 11.641 -6.527 -9.846 1.00 1.10 H new HETATM 0 HAN1 DTF A 174 12.041 -8.109 -13.826 1.00 64.33 H new HETATM 0 HAM1 DTF A 174 19.836 -12.927 -8.521 1.00 2.01 H new HETATM 0 HAL1 DTF A 174 23.397 -6.913 -6.909 1.00 3.25 H new HETATM 0 HAK1 DTF A 174 23.498 -8.517 -5.032 1.00 43.23 H new HETATM 0 HAJ1 DTF A 174 16.664 -7.401 -12.869 1.00 11.24 H new HETATM 0 HAI1 DTF A 174 17.788 -5.914 -10.460 1.00 64.34 H new HETATM 0 HB2 DTF A 174 20.306 -2.752 -7.668 1.00 24.15 H new HETATM 0 HB1 DTF A 174 19.076 -1.701 -8.342 1.00 24.15 H new HETATM 0 HAE DTF A 174 19.692 -4.656 -6.620 1.00 22.24 H new HETATM 0 HAD DTF A 174 18.002 -5.123 -6.410 1.00 22.24 H new HETATM 0 HAC DTF A 174 15.650 -2.295 -12.480 1.00 53.12 H new HETATM 0 HAB DTF A 174 17.915 -3.202 -10.596 1.00 43.24 H new HETATM 0 HAA DTF A 174 20.039 -4.574 -11.949 1.00 22.43 H new HETATM 0 HA1 DTF A 174 20.821 -2.535 -10.017 1.00 13.11 H new