USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 989 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 SER OG : rot 80:sc= 0.479 USER MOD Set 1.2: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 ASN : amide:sc= -1.74 K(o=-2.4,f=-3) USER MOD Set 2.2: A 36 MET CE :methyl 145:sc= -0.0187 (180deg=0) USER MOD Set 2.3: A 90 SER OG : rot 50:sc= -0.679 USER MOD Set 3.1: A 31 CYS SG : rot 110:sc= -0.982 USER MOD Set 3.2: A 103 MET CE :methyl -170:sc= 0 (180deg=-0.00671) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.0491 USER MOD Set 4.2: A 17 ASN : amide:sc= -0.381 X(o=-0.33,f=0.021) USER MOD Set 5.1: A 12 SER OG : rot 180:sc= -0.527 USER MOD Set 5.2: A 18 LYS NZ :NH3+ -151:sc= -0.125 (180deg=-0.706) USER MOD Single : A 1 GLN : amide:sc= -0.0533 K(o=-0.053,f=-2.3!) USER MOD Single : A 1 GLN N :NH3+ -101:sc= 0.0514 (180deg=-0.231) USER MOD Single : A 2 SER OG : rot 180:sc= -0.528 USER MOD Single : A 4 ASN :FLIP amide:sc= -0.115 F(o=-1.7!,f=-0.12) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 19 GLN : amide:sc= -0.0802 K(o=-0.08,f=-1.5!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -178:sc= 0 (180deg=-0.00446) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0699 (180deg=-0.647) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.924 K(o=-0.92,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.371 (180deg=0.358) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.745 K(o=-0.74,f=-1.9) USER MOD Single : A 40 SER OG : rot 50:sc= 0.193 USER MOD Single : A 46 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.17) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.72 K(o=-2.7,f=-5.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -178:sc= 0 (180deg=-0.00262) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.4) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.495 F(o=-0.18,f=0.49) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 81 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.054) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.285 F(o=-1.4,f=-0.28) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.34) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.92) USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0683) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.348 3.157 -5.686 1.00 30.13 N ATOM 2 CA GLN A 1 5.837 4.519 -5.580 1.00 64.40 C ATOM 3 C GLN A 1 4.711 4.600 -4.555 1.00 24.34 C ATOM 4 O GLN A 1 4.118 3.586 -4.189 1.00 35.52 O ATOM 5 CB GLN A 1 5.339 5.006 -6.942 1.00 3.13 C ATOM 6 CG GLN A 1 4.145 4.226 -7.468 1.00 1.15 C ATOM 7 CD GLN A 1 2.876 5.055 -7.501 1.00 71.51 C ATOM 8 OE1 GLN A 1 2.654 5.906 -6.640 1.00 52.20 O ATOM 9 NE2 GLN A 1 2.035 4.809 -8.499 1.00 34.14 N ATOM 0 H1 GLN A 1 7.235 3.076 -5.149 1.00 30.13 H new ATOM 0 H2 GLN A 1 5.648 2.492 -5.299 1.00 30.13 H new ATOM 0 H3 GLN A 1 6.526 2.930 -6.685 1.00 30.13 H new ATOM 0 HA GLN A 1 6.652 5.162 -5.248 1.00 64.40 H new ATOM 0 HB2 GLN A 1 5.069 6.059 -6.865 1.00 3.13 H new ATOM 0 HB3 GLN A 1 6.153 4.937 -7.663 1.00 3.13 H new ATOM 0 HG2 GLN A 1 4.365 3.865 -8.473 1.00 1.15 H new ATOM 0 HG3 GLN A 1 3.985 3.348 -6.842 1.00 1.15 H new ATOM 0 HE21 GLN A 1 2.260 4.094 -9.191 1.00 34.14 H new ATOM 0 HE22 GLN A 1 1.164 5.335 -8.574 1.00 34.14 H new ATOM 18 N SER A 2 4.423 5.813 -4.094 1.00 63.11 N ATOM 19 CA SER A 2 3.371 6.026 -3.107 1.00 61.12 C ATOM 20 C SER A 2 2.693 7.376 -3.319 1.00 4.44 C ATOM 21 O SER A 2 2.851 8.006 -4.366 1.00 15.04 O ATOM 22 CB SER A 2 3.947 5.947 -1.692 1.00 13.31 C ATOM 23 OG SER A 2 4.715 7.099 -1.389 1.00 13.10 O ATOM 0 H SER A 2 4.904 6.663 -4.388 1.00 63.11 H new ATOM 0 HA SER A 2 2.625 5.241 -3.232 1.00 61.12 H new ATOM 0 HB2 SER A 2 3.136 5.847 -0.971 1.00 13.31 H new ATOM 0 HB3 SER A 2 4.569 5.057 -1.598 1.00 13.31 H new ATOM 0 HG SER A 2 5.071 7.025 -0.479 1.00 13.10 H new ATOM 29 N LEU A 3 1.939 7.816 -2.317 1.00 61.43 N ATOM 30 CA LEU A 3 1.236 9.092 -2.392 1.00 22.24 C ATOM 31 C LEU A 3 0.262 9.110 -3.565 1.00 64.55 C ATOM 32 O LEU A 3 0.018 8.083 -4.198 1.00 22.25 O ATOM 33 CB LEU A 3 2.237 10.241 -2.527 1.00 21.40 C ATOM 34 CG LEU A 3 3.495 10.141 -1.663 1.00 34.42 C ATOM 35 CD1 LEU A 3 4.388 11.353 -1.878 1.00 33.42 C ATOM 36 CD2 LEU A 3 3.123 10.004 -0.194 1.00 35.14 C ATOM 0 H LEU A 3 1.799 7.308 -1.444 1.00 61.43 H new ATOM 0 HA LEU A 3 0.668 9.220 -1.471 1.00 22.24 H new ATOM 0 HB2 LEU A 3 2.542 10.309 -3.571 1.00 21.40 H new ATOM 0 HB3 LEU A 3 1.726 11.172 -2.283 1.00 21.40 H new ATOM 0 HG LEU A 3 4.048 9.251 -1.962 1.00 34.42 H new ATOM 0 HD11 LEU A 3 5.278 11.264 -1.255 1.00 33.42 H new ATOM 0 HD12 LEU A 3 4.682 11.407 -2.926 1.00 33.42 H new ATOM 0 HD13 LEU A 3 3.844 12.258 -1.607 1.00 33.42 H new ATOM 0 HD21 LEU A 3 4.030 9.934 0.406 1.00 35.14 H new ATOM 0 HD22 LEU A 3 2.548 10.875 0.118 1.00 35.14 H new ATOM 0 HD23 LEU A 3 2.524 9.104 -0.053 1.00 35.14 H new ATOM 48 N ASN A 4 -0.289 10.284 -3.852 1.00 51.34 N ATOM 49 CA ASN A 4 -1.235 10.436 -4.952 1.00 12.32 C ATOM 50 C ASN A 4 -0.583 10.079 -6.284 1.00 30.20 C ATOM 51 O ASN A 4 0.638 10.117 -6.436 1.00 22.24 O ATOM 52 CB ASN A 4 -1.767 11.870 -5.000 1.00 40.10 C ATOM 53 CG ASN A 4 -0.673 12.900 -4.792 1.00 71.35 C ATOM 54 OD1 ASN A 4 -0.377 13.203 -3.534 1.00 10.14 O flip ATOM 55 ND2 ASN A 4 -0.101 13.416 -5.753 1.00 31.31 N flip ATOM 0 H ASN A 4 -0.097 11.144 -3.339 1.00 51.34 H new ATOM 0 HA ASN A 4 -2.066 9.752 -4.780 1.00 12.32 H new ATOM 0 HB2 ASN A 4 -2.248 12.044 -5.963 1.00 40.10 H new ATOM 0 HB3 ASN A 4 -2.532 11.997 -4.234 1.00 40.10 H new ATOM 0 HD21 ASN A 4 -0.362 13.152 -6.703 1.00 31.31 H new ATOM 0 HD22 ASN A 4 0.633 14.107 -5.599 1.00 31.31 H new ATOM 62 N PRO A 5 -1.416 9.724 -7.274 1.00 25.52 N ATOM 63 CA PRO A 5 -0.943 9.354 -8.611 1.00 61.52 C ATOM 64 C PRO A 5 -0.382 10.546 -9.378 1.00 54.25 C ATOM 65 O PRO A 5 0.488 10.392 -10.234 1.00 65.11 O ATOM 66 CB PRO A 5 -2.203 8.820 -9.298 1.00 2.32 C ATOM 67 CG PRO A 5 -3.331 9.486 -8.589 1.00 12.41 C ATOM 68 CD PRO A 5 -2.882 9.656 -7.164 1.00 14.22 C ATOM 0 HA PRO A 5 -0.126 8.634 -8.569 1.00 61.52 H new ATOM 0 HB2 PRO A 5 -2.206 9.060 -10.361 1.00 2.32 H new ATOM 0 HB3 PRO A 5 -2.269 7.735 -9.216 1.00 2.32 H new ATOM 0 HG2 PRO A 5 -3.562 10.450 -9.043 1.00 12.41 H new ATOM 0 HG3 PRO A 5 -4.237 8.882 -8.643 1.00 12.41 H new ATOM 0 HD2 PRO A 5 -3.294 10.561 -6.718 1.00 14.22 H new ATOM 0 HD3 PRO A 5 -3.200 8.821 -6.540 1.00 14.22 H new ATOM 76 N ALA A 6 -0.887 11.735 -9.066 1.00 53.20 N ATOM 77 CA ALA A 6 -0.435 12.954 -9.725 1.00 2.24 C ATOM 78 C ALA A 6 -0.661 12.881 -11.231 1.00 22.31 C ATOM 79 O ALA A 6 0.009 13.568 -12.004 1.00 32.52 O ATOM 80 CB ALA A 6 1.035 13.204 -9.421 1.00 61.30 C ATOM 0 H ALA A 6 -1.610 11.880 -8.361 1.00 53.20 H new ATOM 0 HA ALA A 6 -1.022 13.786 -9.337 1.00 2.24 H new ATOM 0 HB1 ALA A 6 1.359 14.117 -9.919 1.00 61.30 H new ATOM 0 HB2 ALA A 6 1.171 13.310 -8.345 1.00 61.30 H new ATOM 0 HB3 ALA A 6 1.629 12.364 -9.781 1.00 61.30 H new ATOM 86 N LEU A 7 -1.607 12.044 -11.642 1.00 61.13 N ATOM 87 CA LEU A 7 -1.921 11.880 -13.057 1.00 41.14 C ATOM 88 C LEU A 7 -3.232 12.576 -13.408 1.00 74.53 C ATOM 89 O LEU A 7 -3.411 13.055 -14.528 1.00 31.44 O ATOM 90 CB LEU A 7 -2.007 10.395 -13.412 1.00 74.42 C ATOM 91 CG LEU A 7 -0.867 9.842 -14.268 1.00 73.50 C ATOM 92 CD1 LEU A 7 -0.908 8.322 -14.294 1.00 31.53 C ATOM 93 CD2 LEU A 7 -0.940 10.403 -15.681 1.00 31.24 C ATOM 0 H LEU A 7 -2.170 11.468 -11.016 1.00 61.13 H new ATOM 0 HA LEU A 7 -1.121 12.340 -13.637 1.00 41.14 H new ATOM 0 HB2 LEU A 7 -2.049 9.822 -12.485 1.00 74.42 H new ATOM 0 HB3 LEU A 7 -2.946 10.221 -13.937 1.00 74.42 H new ATOM 0 HG LEU A 7 0.079 10.152 -13.824 1.00 73.50 H new ATOM 0 HD11 LEU A 7 -0.089 7.946 -14.908 1.00 31.53 H new ATOM 0 HD12 LEU A 7 -0.806 7.938 -13.279 1.00 31.53 H new ATOM 0 HD13 LEU A 7 -1.858 7.991 -14.714 1.00 31.53 H new ATOM 0 HD21 LEU A 7 -0.121 9.999 -16.276 1.00 31.24 H new ATOM 0 HD22 LEU A 7 -1.891 10.123 -16.135 1.00 31.24 H new ATOM 0 HD23 LEU A 7 -0.861 11.490 -15.646 1.00 31.24 H new ATOM 105 N GLN A 8 -4.145 12.628 -12.443 1.00 41.23 N ATOM 106 CA GLN A 8 -5.439 13.267 -12.651 1.00 32.23 C ATOM 107 C GLN A 8 -6.018 13.766 -11.331 1.00 22.43 C ATOM 108 O GLN A 8 -7.234 13.859 -11.172 1.00 14.00 O ATOM 109 CB GLN A 8 -6.413 12.290 -13.312 1.00 14.14 C ATOM 110 CG GLN A 8 -6.138 12.063 -14.789 1.00 74.23 C ATOM 111 CD GLN A 8 -7.284 11.366 -15.496 1.00 33.43 C ATOM 112 OE1 GLN A 8 -8.125 10.728 -14.860 1.00 43.33 O ATOM 113 NE2 GLN A 8 -7.324 11.483 -16.818 1.00 13.23 N ATOM 0 H GLN A 8 -4.013 12.236 -11.511 1.00 41.23 H new ATOM 0 HA GLN A 8 -5.292 14.123 -13.309 1.00 32.23 H new ATOM 0 HB2 GLN A 8 -6.365 11.334 -12.791 1.00 14.14 H new ATOM 0 HB3 GLN A 8 -7.429 12.667 -13.194 1.00 14.14 H new ATOM 0 HG2 GLN A 8 -5.948 13.022 -15.271 1.00 74.23 H new ATOM 0 HG3 GLN A 8 -5.232 11.467 -14.899 1.00 74.23 H new ATOM 0 HE21 GLN A 8 -6.607 12.021 -17.304 1.00 13.23 H new ATOM 0 HE22 GLN A 8 -8.072 11.035 -17.347 1.00 13.23 H new ATOM 122 N GLU A 9 -5.137 14.084 -10.387 1.00 14.11 N ATOM 123 CA GLU A 9 -5.562 14.572 -9.080 1.00 53.22 C ATOM 124 C GLU A 9 -5.484 16.095 -9.016 1.00 60.23 C ATOM 125 O GLU A 9 -5.023 16.664 -8.026 1.00 75.42 O ATOM 126 CB GLU A 9 -4.698 13.959 -7.976 1.00 42.34 C ATOM 127 CG GLU A 9 -3.227 14.328 -8.080 1.00 33.41 C ATOM 128 CD GLU A 9 -2.761 15.197 -6.928 1.00 52.24 C ATOM 129 OE1 GLU A 9 -2.754 14.706 -5.780 1.00 14.20 O ATOM 130 OE2 GLU A 9 -2.404 16.368 -7.175 1.00 21.10 O ATOM 0 H GLU A 9 -4.126 14.013 -10.503 1.00 14.11 H new ATOM 0 HA GLU A 9 -6.599 14.272 -8.928 1.00 53.22 H new ATOM 0 HB2 GLU A 9 -5.078 14.283 -7.007 1.00 42.34 H new ATOM 0 HB3 GLU A 9 -4.795 12.874 -8.010 1.00 42.34 H new ATOM 0 HG2 GLU A 9 -2.629 13.417 -8.108 1.00 33.41 H new ATOM 0 HG3 GLU A 9 -3.053 14.853 -9.019 1.00 33.41 H new ATOM 137 N LYS A 10 -5.937 16.750 -10.080 1.00 63.31 N ATOM 138 CA LYS A 10 -5.920 18.206 -10.147 1.00 44.11 C ATOM 139 C LYS A 10 -6.645 18.814 -8.951 1.00 50.30 C ATOM 140 O LYS A 10 -7.875 18.868 -8.921 1.00 61.01 O ATOM 141 CB LYS A 10 -6.568 18.685 -11.448 1.00 11.02 C ATOM 142 CG LYS A 10 -5.567 19.019 -12.540 1.00 4.12 C ATOM 143 CD LYS A 10 -4.816 20.305 -12.234 1.00 32.51 C ATOM 144 CE LYS A 10 -3.336 20.178 -12.562 1.00 34.53 C ATOM 145 NZ LYS A 10 -2.780 21.444 -13.113 1.00 61.24 N ATOM 0 H LYS A 10 -6.321 16.295 -10.908 1.00 63.31 H new ATOM 0 HA LYS A 10 -4.881 18.534 -10.124 1.00 44.11 H new ATOM 0 HB2 LYS A 10 -7.246 17.913 -11.812 1.00 11.02 H new ATOM 0 HB3 LYS A 10 -7.173 19.567 -11.239 1.00 11.02 H new ATOM 0 HG2 LYS A 10 -4.857 18.199 -12.647 1.00 4.12 H new ATOM 0 HG3 LYS A 10 -6.086 19.118 -13.493 1.00 4.12 H new ATOM 0 HD2 LYS A 10 -5.248 21.125 -12.808 1.00 32.51 H new ATOM 0 HD3 LYS A 10 -4.936 20.556 -11.180 1.00 32.51 H new ATOM 0 HE2 LYS A 10 -2.787 19.902 -11.662 1.00 34.53 H new ATOM 0 HE3 LYS A 10 -3.192 19.374 -13.283 1.00 34.53 H new ATOM 0 HZ1 LYS A 10 -1.770 21.317 -13.324 1.00 61.24 H new ATOM 0 HZ2 LYS A 10 -3.287 21.695 -13.986 1.00 61.24 H new ATOM 0 HZ3 LYS A 10 -2.895 22.206 -12.415 1.00 61.24 H new ATOM 159 N ILE A 11 -5.876 19.272 -7.969 1.00 12.03 N ATOM 160 CA ILE A 11 -6.447 19.879 -6.772 1.00 64.43 C ATOM 161 C ILE A 11 -6.678 21.373 -6.971 1.00 32.35 C ATOM 162 O ILE A 11 -5.784 22.098 -7.406 1.00 63.41 O ATOM 163 CB ILE A 11 -5.537 19.670 -5.547 1.00 33.40 C ATOM 164 CG1 ILE A 11 -6.215 20.207 -4.284 1.00 64.45 C ATOM 165 CG2 ILE A 11 -4.193 20.348 -5.763 1.00 50.41 C ATOM 166 CD1 ILE A 11 -6.795 19.123 -3.403 1.00 11.32 C ATOM 0 H ILE A 11 -4.857 19.235 -7.978 1.00 12.03 H new ATOM 0 HA ILE A 11 -7.403 19.387 -6.593 1.00 64.43 H new ATOM 0 HB ILE A 11 -5.365 18.601 -5.418 1.00 33.40 H new ATOM 0 HG12 ILE A 11 -5.490 20.782 -3.709 1.00 64.45 H new ATOM 0 HG13 ILE A 11 -7.010 20.894 -4.572 1.00 64.45 H new ATOM 0 HG21 ILE A 11 -3.562 20.191 -4.888 1.00 50.41 H new ATOM 0 HG22 ILE A 11 -3.708 19.923 -6.642 1.00 50.41 H new ATOM 0 HG23 ILE A 11 -4.345 21.417 -5.914 1.00 50.41 H new ATOM 0 HD11 ILE A 11 -7.259 19.576 -2.527 1.00 11.32 H new ATOM 0 HD12 ILE A 11 -7.544 18.562 -3.962 1.00 11.32 H new ATOM 0 HD13 ILE A 11 -6.000 18.449 -3.085 1.00 11.32 H new ATOM 178 N SER A 12 -7.884 21.827 -6.646 1.00 54.20 N ATOM 179 CA SER A 12 -8.235 23.235 -6.790 1.00 41.31 C ATOM 180 C SER A 12 -8.233 23.648 -8.259 1.00 11.11 C ATOM 181 O SER A 12 -7.199 23.609 -8.926 1.00 61.45 O ATOM 182 CB SER A 12 -7.258 24.109 -6.002 1.00 5.32 C ATOM 183 OG SER A 12 -6.967 23.537 -4.738 1.00 42.23 O ATOM 0 H SER A 12 -8.634 21.240 -6.281 1.00 54.20 H new ATOM 0 HA SER A 12 -9.240 23.376 -6.392 1.00 41.31 H new ATOM 0 HB2 SER A 12 -6.336 24.232 -6.570 1.00 5.32 H new ATOM 0 HB3 SER A 12 -7.683 25.103 -5.865 1.00 5.32 H new ATOM 0 HG SER A 12 -6.339 24.114 -4.255 1.00 42.23 H new ATOM 189 N THR A 13 -9.400 24.045 -8.757 1.00 71.42 N ATOM 190 CA THR A 13 -9.535 24.464 -10.146 1.00 72.35 C ATOM 191 C THR A 13 -9.344 25.969 -10.288 1.00 11.54 C ATOM 192 O THR A 13 -8.382 26.427 -10.904 1.00 30.44 O ATOM 193 CB THR A 13 -10.912 24.077 -10.719 1.00 21.42 C ATOM 194 OG1 THR A 13 -11.813 23.757 -9.653 1.00 31.30 O ATOM 195 CG2 THR A 13 -10.791 22.889 -11.662 1.00 35.25 C ATOM 0 H THR A 13 -10.265 24.085 -8.218 1.00 71.42 H new ATOM 0 HA THR A 13 -8.757 23.947 -10.708 1.00 72.35 H new ATOM 0 HB THR A 13 -11.300 24.927 -11.280 1.00 21.42 H new ATOM 0 HG1 THR A 13 -12.686 23.514 -10.025 1.00 31.30 H new ATOM 0 HG21 THR A 13 -11.776 22.634 -12.054 1.00 35.25 H new ATOM 0 HG22 THR A 13 -10.127 23.146 -12.487 1.00 35.25 H new ATOM 0 HG23 THR A 13 -10.384 22.035 -11.121 1.00 35.25 H new ATOM 203 N GLU A 14 -10.266 26.735 -9.712 1.00 71.02 N ATOM 204 CA GLU A 14 -10.198 28.190 -9.775 1.00 5.21 C ATOM 205 C GLU A 14 -9.818 28.776 -8.418 1.00 22.00 C ATOM 206 O GLU A 14 -9.836 29.993 -8.227 1.00 60.22 O ATOM 207 CB GLU A 14 -11.538 28.767 -10.234 1.00 73.25 C ATOM 208 CG GLU A 14 -11.412 29.772 -11.367 1.00 35.10 C ATOM 209 CD GLU A 14 -12.025 31.116 -11.025 1.00 10.24 C ATOM 210 OE1 GLU A 14 -13.266 31.192 -10.911 1.00 72.34 O ATOM 211 OE2 GLU A 14 -11.262 32.093 -10.870 1.00 31.23 O ATOM 0 H GLU A 14 -11.068 26.372 -9.197 1.00 71.02 H new ATOM 0 HA GLU A 14 -9.428 28.461 -10.498 1.00 5.21 H new ATOM 0 HB2 GLU A 14 -12.185 27.950 -10.554 1.00 73.25 H new ATOM 0 HB3 GLU A 14 -12.027 29.247 -9.386 1.00 73.25 H new ATOM 0 HG2 GLU A 14 -10.358 29.909 -11.611 1.00 35.10 H new ATOM 0 HG3 GLU A 14 -11.896 29.372 -12.258 1.00 35.10 H new ATOM 218 N LEU A 15 -9.475 27.902 -7.478 1.00 43.02 N ATOM 219 CA LEU A 15 -9.091 28.331 -6.138 1.00 2.22 C ATOM 220 C LEU A 15 -10.321 28.669 -5.301 1.00 45.11 C ATOM 221 O LEU A 15 -10.226 28.860 -4.090 1.00 4.14 O ATOM 222 CB LEU A 15 -8.163 29.545 -6.216 1.00 15.23 C ATOM 223 CG LEU A 15 -6.976 29.546 -5.252 1.00 72.11 C ATOM 224 CD1 LEU A 15 -5.684 29.844 -5.997 1.00 73.21 C ATOM 225 CD2 LEU A 15 -7.196 30.557 -4.136 1.00 63.21 C ATOM 0 H LEU A 15 -9.455 26.892 -7.619 1.00 43.02 H new ATOM 0 HA LEU A 15 -8.562 27.508 -5.657 1.00 2.22 H new ATOM 0 HB2 LEU A 15 -7.779 29.619 -7.233 1.00 15.23 H new ATOM 0 HB3 LEU A 15 -8.755 30.442 -6.033 1.00 15.23 H new ATOM 0 HG LEU A 15 -6.894 28.555 -4.806 1.00 72.11 H new ATOM 0 HD11 LEU A 15 -4.850 29.841 -5.295 1.00 73.21 H new ATOM 0 HD12 LEU A 15 -5.520 29.082 -6.759 1.00 73.21 H new ATOM 0 HD13 LEU A 15 -5.755 30.823 -6.471 1.00 73.21 H new ATOM 0 HD21 LEU A 15 -6.341 30.544 -3.460 1.00 63.21 H new ATOM 0 HD22 LEU A 15 -7.305 31.554 -4.564 1.00 63.21 H new ATOM 0 HD23 LEU A 15 -8.100 30.299 -3.584 1.00 63.21 H new ATOM 237 N ASN A 16 -11.475 28.739 -5.956 1.00 62.14 N ATOM 238 CA ASN A 16 -12.724 29.052 -5.272 1.00 72.04 C ATOM 239 C ASN A 16 -13.498 27.779 -4.943 1.00 61.11 C ATOM 240 O ASN A 16 -13.996 27.614 -3.830 1.00 61.55 O ATOM 241 CB ASN A 16 -13.585 29.976 -6.136 1.00 1.30 C ATOM 242 CG ASN A 16 -13.593 31.404 -5.625 1.00 24.03 C ATOM 243 OD1 ASN A 16 -13.992 31.667 -4.490 1.00 60.42 O ATOM 244 ND2 ASN A 16 -13.150 32.335 -6.462 1.00 60.42 N ATOM 0 H ASN A 16 -11.571 28.583 -6.959 1.00 62.14 H new ATOM 0 HA ASN A 16 -12.481 29.560 -4.339 1.00 72.04 H new ATOM 0 HB2 ASN A 16 -13.213 29.962 -7.161 1.00 1.30 H new ATOM 0 HB3 ASN A 16 -14.607 29.597 -6.162 1.00 1.30 H new ATOM 0 HD21 ASN A 16 -13.131 33.313 -6.173 1.00 60.42 H new ATOM 0 HD22 ASN A 16 -12.829 32.072 -7.394 1.00 60.42 H new ATOM 251 N ASN A 17 -13.594 26.882 -5.919 1.00 65.02 N ATOM 252 CA ASN A 17 -14.306 25.623 -5.733 1.00 54.34 C ATOM 253 C ASN A 17 -13.466 24.636 -4.929 1.00 71.24 C ATOM 254 O ASN A 17 -13.990 23.682 -4.353 1.00 51.14 O ATOM 255 CB ASN A 17 -14.671 25.015 -7.089 1.00 62.41 C ATOM 256 CG ASN A 17 -15.056 26.067 -8.111 1.00 11.24 C ATOM 257 OD1 ASN A 17 -16.213 26.480 -8.186 1.00 53.33 O ATOM 258 ND2 ASN A 17 -14.085 26.506 -8.903 1.00 1.02 N ATOM 0 H ASN A 17 -13.188 27.004 -6.847 1.00 65.02 H new ATOM 0 HA ASN A 17 -15.221 25.830 -5.177 1.00 54.34 H new ATOM 0 HB2 ASN A 17 -13.825 24.440 -7.465 1.00 62.41 H new ATOM 0 HB3 ASN A 17 -15.499 24.318 -6.960 1.00 62.41 H new ATOM 0 HD21 ASN A 17 -14.284 27.214 -9.609 1.00 1.02 H new ATOM 0 HD22 ASN A 17 -13.140 26.135 -8.805 1.00 1.02 H new ATOM 265 N LYS A 18 -12.159 24.871 -4.894 1.00 41.22 N ATOM 266 CA LYS A 18 -11.244 24.005 -4.160 1.00 34.12 C ATOM 267 C LYS A 18 -11.714 23.813 -2.721 1.00 42.32 C ATOM 268 O LYS A 18 -11.461 22.775 -2.110 1.00 41.51 O ATOM 269 CB LYS A 18 -9.832 24.593 -4.172 1.00 65.25 C ATOM 270 CG LYS A 18 -9.658 25.779 -3.240 1.00 51.55 C ATOM 271 CD LYS A 18 -9.159 25.346 -1.872 1.00 62.14 C ATOM 272 CE LYS A 18 -8.070 26.274 -1.357 1.00 2.04 C ATOM 273 NZ LYS A 18 -6.887 26.298 -2.261 1.00 71.01 N ATOM 0 H LYS A 18 -11.709 25.655 -5.366 1.00 41.22 H new ATOM 0 HA LYS A 18 -11.230 23.033 -4.652 1.00 34.12 H new ATOM 0 HB2 LYS A 18 -9.121 23.815 -3.893 1.00 65.25 H new ATOM 0 HB3 LYS A 18 -9.585 24.901 -5.188 1.00 65.25 H new ATOM 0 HG2 LYS A 18 -8.954 26.486 -3.678 1.00 51.55 H new ATOM 0 HG3 LYS A 18 -10.609 26.301 -3.133 1.00 51.55 H new ATOM 0 HD2 LYS A 18 -9.991 25.333 -1.168 1.00 62.14 H new ATOM 0 HD3 LYS A 18 -8.774 24.328 -1.929 1.00 62.14 H new ATOM 0 HE2 LYS A 18 -8.470 27.283 -1.256 1.00 2.04 H new ATOM 0 HE3 LYS A 18 -7.760 25.953 -0.362 1.00 2.04 H new ATOM 0 HZ1 LYS A 18 -6.031 26.501 -1.707 1.00 71.01 H new ATOM 0 HZ2 LYS A 18 -6.787 25.373 -2.726 1.00 71.01 H new ATOM 0 HZ3 LYS A 18 -7.016 27.036 -2.982 1.00 71.01 H new ATOM 287 N GLN A 19 -12.399 24.820 -2.188 1.00 60.40 N ATOM 288 CA GLN A 19 -12.904 24.760 -0.821 1.00 41.04 C ATOM 289 C GLN A 19 -14.086 23.802 -0.719 1.00 70.22 C ATOM 290 O GLN A 19 -14.155 22.980 0.196 1.00 42.55 O ATOM 291 CB GLN A 19 -13.320 26.154 -0.348 1.00 25.24 C ATOM 292 CG GLN A 19 -12.977 26.429 1.108 1.00 43.04 C ATOM 293 CD GLN A 19 -13.995 25.846 2.067 1.00 23.54 C ATOM 294 OE1 GLN A 19 -15.166 25.683 1.725 1.00 53.22 O ATOM 295 NE2 GLN A 19 -13.552 25.526 3.278 1.00 13.10 N ATOM 0 H GLN A 19 -12.617 25.686 -2.681 1.00 60.40 H new ATOM 0 HA GLN A 19 -12.104 24.390 -0.180 1.00 41.04 H new ATOM 0 HB2 GLN A 19 -12.834 26.902 -0.975 1.00 25.24 H new ATOM 0 HB3 GLN A 19 -14.395 26.271 -0.488 1.00 25.24 H new ATOM 0 HG2 GLN A 19 -11.994 26.013 1.331 1.00 43.04 H new ATOM 0 HG3 GLN A 19 -12.911 27.506 1.265 1.00 43.04 H new ATOM 0 HE21 GLN A 19 -12.573 25.678 3.519 1.00 13.10 H new ATOM 0 HE22 GLN A 19 -14.191 25.128 3.966 1.00 13.10 H new ATOM 304 N TYR A 20 -15.014 23.913 -1.663 1.00 32.31 N ATOM 305 CA TYR A 20 -16.195 23.058 -1.677 1.00 73.14 C ATOM 306 C TYR A 20 -15.823 21.620 -2.027 1.00 11.20 C ATOM 307 O TYR A 20 -16.264 20.677 -1.371 1.00 51.12 O ATOM 308 CB TYR A 20 -17.222 23.589 -2.679 1.00 34.50 C ATOM 309 CG TYR A 20 -18.190 24.586 -2.083 1.00 40.00 C ATOM 310 CD1 TYR A 20 -17.794 25.890 -1.810 1.00 22.40 C ATOM 311 CD2 TYR A 20 -19.500 24.225 -1.792 1.00 64.01 C ATOM 312 CE1 TYR A 20 -18.674 26.804 -1.265 1.00 0.31 C ATOM 313 CE2 TYR A 20 -20.387 25.133 -1.248 1.00 50.34 C ATOM 314 CZ TYR A 20 -19.970 26.422 -0.986 1.00 65.44 C ATOM 315 OH TYR A 20 -20.850 27.329 -0.443 1.00 71.04 O ATOM 0 H TYR A 20 -14.971 24.586 -2.428 1.00 32.31 H new ATOM 0 HA TYR A 20 -16.632 23.068 -0.678 1.00 73.14 H new ATOM 0 HB2 TYR A 20 -16.697 24.058 -3.511 1.00 34.50 H new ATOM 0 HB3 TYR A 20 -17.784 22.750 -3.089 1.00 34.50 H new ATOM 0 HD1 TYR A 20 -16.781 26.194 -2.028 1.00 22.40 H new ATOM 0 HD2 TYR A 20 -19.830 23.217 -1.995 1.00 64.01 H new ATOM 0 HE1 TYR A 20 -18.349 27.813 -1.058 1.00 0.31 H new ATOM 0 HE2 TYR A 20 -21.402 24.836 -1.029 1.00 50.34 H new ATOM 0 HH TYR A 20 -21.721 26.900 -0.309 1.00 71.04 H new ATOM 325 N GLU A 21 -15.008 21.463 -3.065 1.00 62.40 N ATOM 326 CA GLU A 21 -14.576 20.140 -3.502 1.00 41.45 C ATOM 327 C GLU A 21 -13.797 19.430 -2.399 1.00 63.04 C ATOM 328 O GLU A 21 -14.030 18.254 -2.118 1.00 25.43 O ATOM 329 CB GLU A 21 -13.713 20.252 -4.761 1.00 62.20 C ATOM 330 CG GLU A 21 -14.519 20.366 -6.044 1.00 31.32 C ATOM 331 CD GLU A 21 -13.951 21.396 -7.000 1.00 51.14 C ATOM 332 OE1 GLU A 21 -12.713 21.558 -7.032 1.00 54.04 O ATOM 333 OE2 GLU A 21 -14.745 22.040 -7.717 1.00 53.43 O ATOM 0 H GLU A 21 -14.634 22.234 -3.618 1.00 62.40 H new ATOM 0 HA GLU A 21 -15.465 19.552 -3.730 1.00 41.45 H new ATOM 0 HB2 GLU A 21 -13.065 21.124 -4.671 1.00 62.20 H new ATOM 0 HB3 GLU A 21 -13.065 19.378 -4.826 1.00 62.20 H new ATOM 0 HG2 GLU A 21 -14.548 19.395 -6.538 1.00 31.32 H new ATOM 0 HG3 GLU A 21 -15.548 20.631 -5.800 1.00 31.32 H new ATOM 340 N LEU A 22 -12.870 20.152 -1.779 1.00 14.04 N ATOM 341 CA LEU A 22 -12.055 19.592 -0.706 1.00 53.02 C ATOM 342 C LEU A 22 -12.888 19.371 0.552 1.00 12.44 C ATOM 343 O LEU A 22 -12.640 18.440 1.318 1.00 34.32 O ATOM 344 CB LEU A 22 -10.878 20.519 -0.397 1.00 32.44 C ATOM 345 CG LEU A 22 -9.788 19.940 0.506 1.00 62.13 C ATOM 346 CD1 LEU A 22 -8.455 20.621 0.236 1.00 21.31 C ATOM 347 CD2 LEU A 22 -10.175 20.084 1.970 1.00 35.42 C ATOM 0 H LEU A 22 -12.664 21.126 -2.001 1.00 14.04 H new ATOM 0 HA LEU A 22 -11.672 18.627 -1.039 1.00 53.02 H new ATOM 0 HB2 LEU A 22 -10.420 20.819 -1.340 1.00 32.44 H new ATOM 0 HB3 LEU A 22 -11.267 21.424 0.070 1.00 32.44 H new ATOM 0 HG LEU A 22 -9.683 18.878 0.282 1.00 62.13 H new ATOM 0 HD11 LEU A 22 -7.691 20.197 0.887 1.00 21.31 H new ATOM 0 HD12 LEU A 22 -8.171 20.466 -0.805 1.00 21.31 H new ATOM 0 HD13 LEU A 22 -8.546 21.689 0.432 1.00 21.31 H new ATOM 0 HD21 LEU A 22 -9.387 19.666 2.597 1.00 35.42 H new ATOM 0 HD22 LEU A 22 -10.308 21.139 2.209 1.00 35.42 H new ATOM 0 HD23 LEU A 22 -11.107 19.550 2.154 1.00 35.42 H new ATOM 359 N PHE A 23 -13.878 20.233 0.759 1.00 13.31 N ATOM 360 CA PHE A 23 -14.749 20.132 1.924 1.00 14.12 C ATOM 361 C PHE A 23 -15.503 18.805 1.926 1.00 54.50 C ATOM 362 O PHE A 23 -15.538 18.101 2.934 1.00 33.32 O ATOM 363 CB PHE A 23 -15.742 21.296 1.948 1.00 73.01 C ATOM 364 CG PHE A 23 -16.752 21.200 3.056 1.00 42.31 C ATOM 365 CD1 PHE A 23 -16.483 21.737 4.304 1.00 4.45 C ATOM 366 CD2 PHE A 23 -17.970 20.574 2.849 1.00 72.13 C ATOM 367 CE1 PHE A 23 -17.410 21.650 5.326 1.00 65.12 C ATOM 368 CE2 PHE A 23 -18.901 20.484 3.866 1.00 33.23 C ATOM 369 CZ PHE A 23 -18.621 21.024 5.106 1.00 22.52 C ATOM 0 H PHE A 23 -14.097 21.009 0.135 1.00 13.31 H new ATOM 0 HA PHE A 23 -14.126 20.177 2.817 1.00 14.12 H new ATOM 0 HB2 PHE A 23 -15.191 22.231 2.049 1.00 73.01 H new ATOM 0 HB3 PHE A 23 -16.265 21.336 0.993 1.00 73.01 H new ATOM 0 HD1 PHE A 23 -15.538 22.229 4.481 1.00 4.45 H new ATOM 0 HD2 PHE A 23 -18.195 20.151 1.881 1.00 72.13 H new ATOM 0 HE1 PHE A 23 -17.187 22.071 6.295 1.00 65.12 H new ATOM 0 HE2 PHE A 23 -19.846 19.992 3.692 1.00 33.23 H new ATOM 0 HZ PHE A 23 -19.348 20.957 5.902 1.00 22.52 H new ATOM 379 N MET A 24 -16.106 18.473 0.789 1.00 30.22 N ATOM 380 CA MET A 24 -16.859 17.231 0.659 1.00 71.21 C ATOM 381 C MET A 24 -15.920 16.042 0.478 1.00 14.15 C ATOM 382 O MET A 24 -16.202 14.939 0.947 1.00 62.34 O ATOM 383 CB MET A 24 -17.825 17.317 -0.524 1.00 72.22 C ATOM 384 CG MET A 24 -19.263 16.986 -0.160 1.00 15.43 C ATOM 385 SD MET A 24 -19.613 15.220 -0.244 1.00 20.42 S ATOM 386 CE MET A 24 -21.294 15.236 -0.862 1.00 10.01 C ATOM 0 H MET A 24 -16.088 19.046 -0.055 1.00 30.22 H new ATOM 0 HA MET A 24 -17.430 17.084 1.576 1.00 71.21 H new ATOM 0 HB2 MET A 24 -17.787 18.323 -0.941 1.00 72.22 H new ATOM 0 HB3 MET A 24 -17.491 16.635 -1.306 1.00 72.22 H new ATOM 0 HG2 MET A 24 -19.470 17.346 0.848 1.00 15.43 H new ATOM 0 HG3 MET A 24 -19.935 17.518 -0.833 1.00 15.43 H new ATOM 0 HE1 MET A 24 -21.665 14.214 -0.934 1.00 10.01 H new ATOM 0 HE2 MET A 24 -21.927 15.804 -0.180 1.00 10.01 H new ATOM 0 HE3 MET A 24 -21.315 15.700 -1.848 1.00 10.01 H new ATOM 396 N LYS A 25 -14.804 16.274 -0.203 1.00 43.03 N ATOM 397 CA LYS A 25 -13.822 15.223 -0.445 1.00 53.23 C ATOM 398 C LYS A 25 -13.187 14.761 0.862 1.00 63.10 C ATOM 399 O LYS A 25 -13.117 13.564 1.140 1.00 60.21 O ATOM 400 CB LYS A 25 -12.738 15.721 -1.404 1.00 30.40 C ATOM 401 CG LYS A 25 -11.685 14.674 -1.727 1.00 53.40 C ATOM 402 CD LYS A 25 -10.599 15.236 -2.628 1.00 41.55 C ATOM 403 CE LYS A 25 -9.224 15.105 -1.992 1.00 45.04 C ATOM 404 NZ LYS A 25 -8.193 15.883 -2.734 1.00 1.22 N ATOM 0 H LYS A 25 -14.556 17.181 -0.598 1.00 43.03 H new ATOM 0 HA LYS A 25 -14.337 14.375 -0.897 1.00 53.23 H new ATOM 0 HB2 LYS A 25 -13.208 16.050 -2.331 1.00 30.40 H new ATOM 0 HB3 LYS A 25 -12.250 16.592 -0.967 1.00 30.40 H new ATOM 0 HG2 LYS A 25 -11.239 14.308 -0.802 1.00 53.40 H new ATOM 0 HG3 LYS A 25 -12.157 13.820 -2.213 1.00 53.40 H new ATOM 0 HD2 LYS A 25 -10.610 14.712 -3.584 1.00 41.55 H new ATOM 0 HD3 LYS A 25 -10.806 16.286 -2.838 1.00 41.55 H new ATOM 0 HE2 LYS A 25 -9.267 15.452 -0.959 1.00 45.04 H new ATOM 0 HE3 LYS A 25 -8.936 14.054 -1.964 1.00 45.04 H new ATOM 0 HZ1 LYS A 25 -7.249 15.507 -2.513 1.00 1.22 H new ATOM 0 HZ2 LYS A 25 -8.367 15.803 -3.756 1.00 1.22 H new ATOM 0 HZ3 LYS A 25 -8.243 16.883 -2.452 1.00 1.22 H new ATOM 418 N SER A 26 -12.726 15.717 1.661 1.00 3.54 N ATOM 419 CA SER A 26 -12.094 15.408 2.939 1.00 62.34 C ATOM 420 C SER A 26 -13.043 14.622 3.838 1.00 13.11 C ATOM 421 O SER A 26 -12.622 13.732 4.578 1.00 12.13 O ATOM 422 CB SER A 26 -11.656 16.695 3.641 1.00 71.35 C ATOM 423 OG SER A 26 -10.357 17.084 3.228 1.00 15.12 O ATOM 0 H SER A 26 -12.778 16.713 1.446 1.00 3.54 H new ATOM 0 HA SER A 26 -11.215 14.794 2.742 1.00 62.34 H new ATOM 0 HB2 SER A 26 -12.365 17.493 3.421 1.00 71.35 H new ATOM 0 HB3 SER A 26 -11.669 16.547 4.721 1.00 71.35 H new ATOM 0 HG SER A 26 -10.101 17.910 3.689 1.00 15.12 H new ATOM 429 N LEU A 27 -14.327 14.958 3.769 1.00 62.53 N ATOM 430 CA LEU A 27 -15.338 14.284 4.576 1.00 12.42 C ATOM 431 C LEU A 27 -15.548 12.850 4.101 1.00 12.23 C ATOM 432 O LEU A 27 -15.591 11.919 4.906 1.00 13.54 O ATOM 433 CB LEU A 27 -16.660 15.052 4.517 1.00 31.11 C ATOM 434 CG LEU A 27 -16.974 15.942 5.721 1.00 60.54 C ATOM 435 CD1 LEU A 27 -15.828 16.906 5.984 1.00 14.35 C ATOM 436 CD2 LEU A 27 -18.273 16.702 5.497 1.00 32.34 C ATOM 0 H LEU A 27 -14.692 15.693 3.163 1.00 62.53 H new ATOM 0 HA LEU A 27 -14.986 14.257 5.607 1.00 12.42 H new ATOM 0 HB2 LEU A 27 -16.656 15.674 3.622 1.00 31.11 H new ATOM 0 HB3 LEU A 27 -17.470 14.332 4.401 1.00 31.11 H new ATOM 0 HG LEU A 27 -17.095 15.306 6.598 1.00 60.54 H new ATOM 0 HD11 LEU A 27 -16.069 17.531 6.844 1.00 14.35 H new ATOM 0 HD12 LEU A 27 -14.918 16.342 6.189 1.00 14.35 H new ATOM 0 HD13 LEU A 27 -15.675 17.537 5.108 1.00 14.35 H new ATOM 0 HD21 LEU A 27 -18.481 17.330 6.363 1.00 32.34 H new ATOM 0 HD22 LEU A 27 -18.180 17.327 4.609 1.00 32.34 H new ATOM 0 HD23 LEU A 27 -19.090 15.994 5.358 1.00 32.34 H new ATOM 448 N ILE A 28 -15.676 12.679 2.790 1.00 51.42 N ATOM 449 CA ILE A 28 -15.878 11.358 2.208 1.00 1.30 C ATOM 450 C ILE A 28 -14.670 10.460 2.451 1.00 1.13 C ATOM 451 O ILE A 28 -14.812 9.315 2.878 1.00 31.12 O ATOM 452 CB ILE A 28 -16.143 11.445 0.693 1.00 24.43 C ATOM 453 CG1 ILE A 28 -17.470 12.157 0.425 1.00 3.52 C ATOM 454 CG2 ILE A 28 -16.148 10.054 0.076 1.00 31.15 C ATOM 455 CD1 ILE A 28 -18.684 11.331 0.789 1.00 44.43 C ATOM 0 H ILE A 28 -15.643 13.439 2.110 1.00 51.42 H new ATOM 0 HA ILE A 28 -16.752 10.928 2.697 1.00 1.30 H new ATOM 0 HB ILE A 28 -15.343 12.024 0.232 1.00 24.43 H new ATOM 0 HG12 ILE A 28 -17.493 13.090 0.989 1.00 3.52 H new ATOM 0 HG13 ILE A 28 -17.524 12.422 -0.631 1.00 3.52 H new ATOM 0 HG21 ILE A 28 -16.336 10.132 -0.995 1.00 31.15 H new ATOM 0 HG22 ILE A 28 -15.181 9.579 0.241 1.00 31.15 H new ATOM 0 HG23 ILE A 28 -16.930 9.453 0.540 1.00 31.15 H new ATOM 0 HD11 ILE A 28 -19.589 11.899 0.572 1.00 44.43 H new ATOM 0 HD12 ILE A 28 -18.685 10.410 0.206 1.00 44.43 H new ATOM 0 HD13 ILE A 28 -18.654 11.088 1.851 1.00 44.43 H new ATOM 467 N GLU A 29 -13.481 10.989 2.178 1.00 53.20 N ATOM 468 CA GLU A 29 -12.248 10.235 2.368 1.00 31.24 C ATOM 469 C GLU A 29 -12.018 9.932 3.846 1.00 34.43 C ATOM 470 O GLU A 29 -11.485 8.881 4.200 1.00 74.35 O ATOM 471 CB GLU A 29 -11.056 11.012 1.805 1.00 75.33 C ATOM 472 CG GLU A 29 -11.163 11.294 0.316 1.00 55.14 C ATOM 473 CD GLU A 29 -12.120 10.352 -0.389 1.00 52.45 C ATOM 474 OE1 GLU A 29 -11.852 9.133 -0.399 1.00 63.41 O ATOM 475 OE2 GLU A 29 -13.136 10.834 -0.932 1.00 15.44 O ATOM 0 H GLU A 29 -13.346 11.936 1.825 1.00 53.20 H new ATOM 0 HA GLU A 29 -12.344 9.291 1.831 1.00 31.24 H new ATOM 0 HB2 GLU A 29 -10.964 11.957 2.340 1.00 75.33 H new ATOM 0 HB3 GLU A 29 -10.143 10.448 1.995 1.00 75.33 H new ATOM 0 HG2 GLU A 29 -11.495 12.321 0.168 1.00 55.14 H new ATOM 0 HG3 GLU A 29 -10.176 11.210 -0.138 1.00 55.14 H new ATOM 482 N ASN A 30 -12.425 10.861 4.705 1.00 44.20 N ATOM 483 CA ASN A 30 -12.262 10.695 6.145 1.00 75.22 C ATOM 484 C ASN A 30 -13.097 9.523 6.654 1.00 5.33 C ATOM 485 O ASN A 30 -12.576 8.610 7.296 1.00 1.22 O ATOM 486 CB ASN A 30 -12.664 11.977 6.876 1.00 51.51 C ATOM 487 CG ASN A 30 -11.504 12.941 7.033 1.00 44.02 C ATOM 488 OD1 ASN A 30 -10.601 12.984 6.197 1.00 40.52 O ATOM 489 ND2 ASN A 30 -11.523 13.719 8.109 1.00 44.55 N ATOM 0 H ASN A 30 -12.870 11.736 4.429 1.00 44.20 H new ATOM 0 HA ASN A 30 -11.211 10.485 6.345 1.00 75.22 H new ATOM 0 HB2 ASN A 30 -13.469 12.467 6.328 1.00 51.51 H new ATOM 0 HB3 ASN A 30 -13.057 11.723 7.860 1.00 51.51 H new ATOM 0 HD21 ASN A 30 -10.769 14.387 8.269 1.00 44.55 H new ATOM 0 HD22 ASN A 30 -12.292 13.649 8.775 1.00 44.55 H new ATOM 496 N CYS A 31 -14.392 9.556 6.364 1.00 52.34 N ATOM 497 CA CYS A 31 -15.299 8.497 6.792 1.00 12.33 C ATOM 498 C CYS A 31 -14.992 7.191 6.067 1.00 42.42 C ATOM 499 O CYS A 31 -14.948 6.124 6.679 1.00 64.14 O ATOM 500 CB CYS A 31 -16.751 8.907 6.538 1.00 23.42 C ATOM 501 SG CYS A 31 -17.564 9.665 7.964 1.00 73.31 S ATOM 0 H CYS A 31 -14.838 10.305 5.834 1.00 52.34 H new ATOM 0 HA CYS A 31 -15.155 8.340 7.861 1.00 12.33 H new ATOM 0 HB2 CYS A 31 -16.779 9.607 5.703 1.00 23.42 H new ATOM 0 HB3 CYS A 31 -17.318 8.027 6.235 1.00 23.42 H new ATOM 0 HG CYS A 31 -17.755 10.930 7.733 1.00 73.31 H new ATOM 507 N LYS A 32 -14.781 7.283 4.758 1.00 15.20 N ATOM 508 CA LYS A 32 -14.479 6.110 3.947 1.00 24.22 C ATOM 509 C LYS A 32 -13.170 5.465 4.391 1.00 24.22 C ATOM 510 O LYS A 32 -12.990 4.253 4.270 1.00 71.21 O ATOM 511 CB LYS A 32 -14.394 6.494 2.468 1.00 11.43 C ATOM 512 CG LYS A 32 -14.091 5.322 1.551 1.00 13.03 C ATOM 513 CD LYS A 32 -14.079 5.744 0.092 1.00 41.42 C ATOM 514 CE LYS A 32 -12.804 5.297 -0.607 1.00 73.32 C ATOM 515 NZ LYS A 32 -11.615 6.056 -0.131 1.00 62.41 N ATOM 0 H LYS A 32 -14.814 8.159 4.236 1.00 15.20 H new ATOM 0 HA LYS A 32 -15.285 5.388 4.083 1.00 24.22 H new ATOM 0 HB2 LYS A 32 -15.338 6.947 2.164 1.00 11.43 H new ATOM 0 HB3 LYS A 32 -13.621 7.252 2.342 1.00 11.43 H new ATOM 0 HG2 LYS A 32 -13.124 4.893 1.815 1.00 13.03 H new ATOM 0 HG3 LYS A 32 -14.837 4.541 1.699 1.00 13.03 H new ATOM 0 HD2 LYS A 32 -14.943 5.318 -0.418 1.00 41.42 H new ATOM 0 HD3 LYS A 32 -14.171 6.828 0.025 1.00 41.42 H new ATOM 0 HE2 LYS A 32 -12.649 4.232 -0.433 1.00 73.32 H new ATOM 0 HE3 LYS A 32 -12.914 5.431 -1.683 1.00 73.32 H new ATOM 0 HZ1 LYS A 32 -10.785 5.795 -0.701 1.00 62.41 H new ATOM 0 HZ2 LYS A 32 -11.793 7.076 -0.226 1.00 62.41 H new ATOM 0 HZ3 LYS A 32 -11.435 5.828 0.868 1.00 62.41 H new ATOM 529 N LYS A 33 -12.258 6.282 4.907 1.00 21.14 N ATOM 530 CA LYS A 33 -10.966 5.791 5.373 1.00 40.44 C ATOM 531 C LYS A 33 -11.142 4.777 6.498 1.00 73.11 C ATOM 532 O LYS A 33 -10.230 4.007 6.801 1.00 54.40 O ATOM 533 CB LYS A 33 -10.098 6.957 5.853 1.00 31.44 C ATOM 534 CG LYS A 33 -9.067 7.408 4.834 1.00 50.24 C ATOM 535 CD LYS A 33 -8.421 8.722 5.238 1.00 2.54 C ATOM 536 CE LYS A 33 -7.987 9.528 4.023 1.00 25.33 C ATOM 537 NZ LYS A 33 -8.046 10.994 4.279 1.00 75.51 N ATOM 0 H LYS A 33 -12.390 7.288 5.013 1.00 21.14 H new ATOM 0 HA LYS A 33 -10.470 5.296 4.538 1.00 40.44 H new ATOM 0 HB2 LYS A 33 -10.742 7.800 6.103 1.00 31.44 H new ATOM 0 HB3 LYS A 33 -9.586 6.665 6.770 1.00 31.44 H new ATOM 0 HG2 LYS A 33 -8.299 6.642 4.728 1.00 50.24 H new ATOM 0 HG3 LYS A 33 -9.542 7.520 3.859 1.00 50.24 H new ATOM 0 HD2 LYS A 33 -9.124 9.307 5.831 1.00 2.54 H new ATOM 0 HD3 LYS A 33 -7.557 8.524 5.872 1.00 2.54 H new ATOM 0 HE2 LYS A 33 -6.970 9.248 3.746 1.00 25.33 H new ATOM 0 HE3 LYS A 33 -8.627 9.281 3.176 1.00 25.33 H new ATOM 0 HZ1 LYS A 33 -7.743 11.508 3.427 1.00 75.51 H new ATOM 0 HZ2 LYS A 33 -9.021 11.266 4.518 1.00 75.51 H new ATOM 0 HZ3 LYS A 33 -7.416 11.234 5.071 1.00 75.51 H new ATOM 551 N ARG A 34 -12.321 4.781 7.113 1.00 63.45 N ATOM 552 CA ARG A 34 -12.616 3.860 8.204 1.00 41.20 C ATOM 553 C ARG A 34 -12.944 2.469 7.669 1.00 50.43 C ATOM 554 O ARG A 34 -13.164 1.534 8.437 1.00 42.02 O ATOM 555 CB ARG A 34 -13.784 4.385 9.040 1.00 15.21 C ATOM 556 CG ARG A 34 -13.813 3.838 10.458 1.00 74.43 C ATOM 557 CD ARG A 34 -14.954 4.439 11.264 1.00 4.42 C ATOM 558 NE ARG A 34 -14.662 4.458 12.695 1.00 4.20 N ATOM 559 CZ ARG A 34 -14.693 3.377 13.466 1.00 61.33 C ATOM 560 NH1 ARG A 34 -15.001 2.197 12.946 1.00 72.34 N ATOM 561 NH2 ARG A 34 -14.415 3.474 14.760 1.00 41.25 N ATOM 0 H ARG A 34 -13.086 5.411 6.874 1.00 63.45 H new ATOM 0 HA ARG A 34 -11.730 3.788 8.834 1.00 41.20 H new ATOM 0 HB2 ARG A 34 -13.731 5.473 9.080 1.00 15.21 H new ATOM 0 HB3 ARG A 34 -14.720 4.130 8.542 1.00 15.21 H new ATOM 0 HG2 ARG A 34 -13.919 2.754 10.429 1.00 74.43 H new ATOM 0 HG3 ARG A 34 -12.865 4.053 10.951 1.00 74.43 H new ATOM 0 HD2 ARG A 34 -15.145 5.455 10.919 1.00 4.42 H new ATOM 0 HD3 ARG A 34 -15.864 3.866 11.087 1.00 4.42 H new ATOM 0 HE ARG A 34 -14.421 5.351 13.126 1.00 4.20 H new ATOM 0 HH11 ARG A 34 -15.215 2.118 11.952 1.00 72.34 H new ATOM 0 HH12 ARG A 34 -15.024 1.368 13.540 1.00 72.34 H new ATOM 0 HH21 ARG A 34 -14.177 4.380 15.164 1.00 41.25 H new ATOM 0 HH22 ARG A 34 -14.439 2.643 15.351 1.00 41.25 H new ATOM 575 N ASN A 35 -12.976 2.342 6.346 1.00 4.30 N ATOM 576 CA ASN A 35 -13.278 1.066 5.708 1.00 41.32 C ATOM 577 C ASN A 35 -12.298 0.779 4.574 1.00 0.42 C ATOM 578 O ASN A 35 -11.623 -0.250 4.569 1.00 13.22 O ATOM 579 CB ASN A 35 -14.710 1.068 5.170 1.00 35.15 C ATOM 580 CG ASN A 35 -15.435 -0.235 5.451 1.00 44.31 C ATOM 581 OD1 ASN A 35 -16.191 -0.342 6.416 1.00 11.22 O ATOM 582 ND2 ASN A 35 -15.205 -1.233 4.606 1.00 50.12 N ATOM 0 H ASN A 35 -12.797 3.107 5.696 1.00 4.30 H new ATOM 0 HA ASN A 35 -13.179 0.281 6.458 1.00 41.32 H new ATOM 0 HB2 ASN A 35 -15.263 1.893 5.620 1.00 35.15 H new ATOM 0 HB3 ASN A 35 -14.691 1.246 4.095 1.00 35.15 H new ATOM 0 HD21 ASN A 35 -15.663 -2.134 4.744 1.00 50.12 H new ATOM 0 HD22 ASN A 35 -14.570 -1.099 3.819 1.00 50.12 H new ATOM 589 N MET A 36 -12.225 1.697 3.616 1.00 54.13 N ATOM 590 CA MET A 36 -11.327 1.543 2.478 1.00 45.44 C ATOM 591 C MET A 36 -10.302 2.673 2.437 1.00 12.15 C ATOM 592 O MET A 36 -10.383 3.588 1.617 1.00 20.51 O ATOM 593 CB MET A 36 -12.123 1.515 1.172 1.00 61.23 C ATOM 594 CG MET A 36 -13.107 0.360 1.085 1.00 32.44 C ATOM 595 SD MET A 36 -12.389 -1.110 0.326 1.00 40.41 S ATOM 596 CE MET A 36 -13.121 -2.401 1.328 1.00 72.01 C ATOM 0 H MET A 36 -12.777 2.555 3.605 1.00 54.13 H new ATOM 0 HA MET A 36 -10.796 0.598 2.592 1.00 45.44 H new ATOM 0 HB2 MET A 36 -12.667 2.454 1.067 1.00 61.23 H new ATOM 0 HB3 MET A 36 -11.429 1.454 0.334 1.00 61.23 H new ATOM 0 HG2 MET A 36 -13.459 0.112 2.086 1.00 32.44 H new ATOM 0 HG3 MET A 36 -13.978 0.673 0.509 1.00 32.44 H new ATOM 0 HE1 MET A 36 -13.318 -3.275 0.708 1.00 72.01 H new ATOM 0 HE2 MET A 36 -12.435 -2.672 2.130 1.00 72.01 H new ATOM 0 HE3 MET A 36 -14.057 -2.042 1.757 1.00 72.01 H new ATOM 606 N PRO A 37 -9.315 2.611 3.344 1.00 73.24 N ATOM 607 CA PRO A 37 -8.256 3.621 3.431 1.00 34.34 C ATOM 608 C PRO A 37 -7.302 3.565 2.244 1.00 61.45 C ATOM 609 O PRO A 37 -7.228 2.556 1.541 1.00 62.24 O ATOM 610 CB PRO A 37 -7.523 3.254 4.724 1.00 12.42 C ATOM 611 CG PRO A 37 -7.782 1.799 4.907 1.00 64.31 C ATOM 612 CD PRO A 37 -9.157 1.549 4.352 1.00 42.41 C ATOM 0 HA PRO A 37 -8.657 4.634 3.424 1.00 34.34 H new ATOM 0 HB2 PRO A 37 -6.455 3.459 4.646 1.00 12.42 H new ATOM 0 HB3 PRO A 37 -7.897 3.832 5.569 1.00 12.42 H new ATOM 0 HG2 PRO A 37 -7.036 1.201 4.384 1.00 64.31 H new ATOM 0 HG3 PRO A 37 -7.730 1.523 5.960 1.00 64.31 H new ATOM 0 HD2 PRO A 37 -9.237 0.557 3.907 1.00 42.41 H new ATOM 0 HD3 PRO A 37 -9.921 1.613 5.127 1.00 42.41 H new ATOM 620 N LEU A 38 -6.573 4.653 2.025 1.00 43.23 N ATOM 621 CA LEU A 38 -5.621 4.728 0.921 1.00 34.22 C ATOM 622 C LEU A 38 -4.229 5.093 1.426 1.00 13.22 C ATOM 623 O LEU A 38 -3.950 5.006 2.622 1.00 72.24 O ATOM 624 CB LEU A 38 -6.088 5.755 -0.112 1.00 3.45 C ATOM 625 CG LEU A 38 -5.896 5.367 -1.578 1.00 51.51 C ATOM 626 CD1 LEU A 38 -7.170 4.756 -2.139 1.00 72.43 C ATOM 627 CD2 LEU A 38 -5.477 6.578 -2.399 1.00 62.05 C ATOM 0 H LEU A 38 -6.622 5.496 2.597 1.00 43.23 H new ATOM 0 HA LEU A 38 -5.570 3.746 0.450 1.00 34.22 H new ATOM 0 HB2 LEU A 38 -7.147 5.953 0.055 1.00 3.45 H new ATOM 0 HB3 LEU A 38 -5.557 6.689 0.068 1.00 3.45 H new ATOM 0 HG LEU A 38 -5.103 4.621 -1.636 1.00 51.51 H new ATOM 0 HD11 LEU A 38 -7.015 4.486 -3.184 1.00 72.43 H new ATOM 0 HD12 LEU A 38 -7.428 3.864 -1.568 1.00 72.43 H new ATOM 0 HD13 LEU A 38 -7.982 5.479 -2.068 1.00 72.43 H new ATOM 0 HD21 LEU A 38 -5.345 6.284 -3.440 1.00 62.05 H new ATOM 0 HD22 LEU A 38 -6.248 7.346 -2.334 1.00 62.05 H new ATOM 0 HD23 LEU A 38 -4.538 6.973 -2.012 1.00 62.05 H new ATOM 639 N GLN A 39 -3.361 5.504 0.508 1.00 52.44 N ATOM 640 CA GLN A 39 -1.999 5.885 0.861 1.00 64.32 C ATOM 641 C GLN A 39 -1.978 7.227 1.584 1.00 13.14 C ATOM 642 O GLN A 39 -1.187 7.436 2.503 1.00 24.05 O ATOM 643 CB GLN A 39 -1.125 5.954 -0.393 1.00 2.32 C ATOM 644 CG GLN A 39 0.067 5.012 -0.357 1.00 23.35 C ATOM 645 CD GLN A 39 1.132 5.454 0.628 1.00 14.31 C ATOM 646 OE1 GLN A 39 1.393 6.648 0.782 1.00 21.34 O ATOM 647 NE2 GLN A 39 1.752 4.493 1.301 1.00 25.32 N ATOM 0 H GLN A 39 -3.577 5.582 -0.486 1.00 52.44 H new ATOM 0 HA GLN A 39 -1.599 5.125 1.533 1.00 64.32 H new ATOM 0 HB2 GLN A 39 -1.736 5.720 -1.265 1.00 2.32 H new ATOM 0 HB3 GLN A 39 -0.766 6.975 -0.520 1.00 2.32 H new ATOM 0 HG2 GLN A 39 -0.274 4.011 -0.092 1.00 23.35 H new ATOM 0 HG3 GLN A 39 0.504 4.947 -1.353 1.00 23.35 H new ATOM 0 HE21 GLN A 39 1.503 3.517 1.141 1.00 25.32 H new ATOM 0 HE22 GLN A 39 2.477 4.731 1.978 1.00 25.32 H new ATOM 656 N SER A 40 -2.854 8.134 1.163 1.00 2.11 N ATOM 657 CA SER A 40 -2.934 9.458 1.768 1.00 5.43 C ATOM 658 C SER A 40 -4.216 10.171 1.349 1.00 45.22 C ATOM 659 O SER A 40 -5.168 10.265 2.123 1.00 34.51 O ATOM 660 CB SER A 40 -1.717 10.297 1.372 1.00 10.42 C ATOM 661 OG SER A 40 -0.794 10.394 2.443 1.00 64.12 O ATOM 0 H SER A 40 -3.518 7.976 0.405 1.00 2.11 H new ATOM 0 HA SER A 40 -2.945 9.335 2.851 1.00 5.43 H new ATOM 0 HB2 SER A 40 -1.229 9.849 0.506 1.00 10.42 H new ATOM 0 HB3 SER A 40 -2.040 11.295 1.075 1.00 10.42 H new ATOM 0 HG SER A 40 -0.609 9.499 2.797 1.00 64.12 H new ATOM 667 N ILE A 41 -4.231 10.672 0.118 1.00 3.33 N ATOM 668 CA ILE A 41 -5.395 11.376 -0.405 1.00 71.42 C ATOM 669 C ILE A 41 -5.891 10.733 -1.696 1.00 34.31 C ATOM 670 O ILE A 41 -5.380 10.993 -2.785 1.00 64.10 O ATOM 671 CB ILE A 41 -5.083 12.860 -0.671 1.00 54.24 C ATOM 672 CG1 ILE A 41 -4.461 13.504 0.570 1.00 74.33 C ATOM 673 CG2 ILE A 41 -6.347 13.601 -1.082 1.00 41.41 C ATOM 674 CD1 ILE A 41 -5.354 13.451 1.790 1.00 73.44 C ATOM 0 H ILE A 41 -3.451 10.603 -0.535 1.00 3.33 H new ATOM 0 HA ILE A 41 -6.173 11.308 0.355 1.00 71.42 H new ATOM 0 HB ILE A 41 -4.365 12.924 -1.489 1.00 54.24 H new ATOM 0 HG12 ILE A 41 -3.520 13.003 0.796 1.00 74.33 H new ATOM 0 HG13 ILE A 41 -4.223 14.544 0.349 1.00 74.33 H new ATOM 0 HG21 ILE A 41 -6.111 14.649 -1.267 1.00 41.41 H new ATOM 0 HG22 ILE A 41 -6.751 13.155 -1.991 1.00 41.41 H new ATOM 0 HG23 ILE A 41 -7.086 13.531 -0.284 1.00 41.41 H new ATOM 0 HD11 ILE A 41 -4.849 13.926 2.631 1.00 73.44 H new ATOM 0 HD12 ILE A 41 -6.286 13.977 1.582 1.00 73.44 H new ATOM 0 HD13 ILE A 41 -5.572 12.412 2.037 1.00 73.44 H new ATOM 686 N PRO A 42 -6.914 9.873 -1.574 1.00 1.34 N ATOM 687 CA PRO A 42 -7.504 9.177 -2.721 1.00 31.14 C ATOM 688 C PRO A 42 -8.278 10.120 -3.636 1.00 22.32 C ATOM 689 O PRO A 42 -9.321 10.650 -3.256 1.00 31.02 O ATOM 690 CB PRO A 42 -8.451 8.164 -2.072 1.00 13.51 C ATOM 691 CG PRO A 42 -8.795 8.760 -0.750 1.00 40.13 C ATOM 692 CD PRO A 42 -7.573 9.516 -0.306 1.00 71.23 C ATOM 0 HA PRO A 42 -6.744 8.724 -3.358 1.00 31.14 H new ATOM 0 HB2 PRO A 42 -9.342 8.009 -2.680 1.00 13.51 H new ATOM 0 HB3 PRO A 42 -7.972 7.192 -1.955 1.00 13.51 H new ATOM 0 HG2 PRO A 42 -9.656 9.424 -0.833 1.00 40.13 H new ATOM 0 HG3 PRO A 42 -9.058 7.986 -0.029 1.00 40.13 H new ATOM 0 HD2 PRO A 42 -7.836 10.401 0.273 1.00 71.23 H new ATOM 0 HD3 PRO A 42 -6.928 8.903 0.324 1.00 71.23 H new ATOM 700 N GLU A 43 -7.759 10.323 -4.843 1.00 15.20 N ATOM 701 CA GLU A 43 -8.403 11.203 -5.812 1.00 31.05 C ATOM 702 C GLU A 43 -8.073 10.775 -7.239 1.00 11.03 C ATOM 703 O GLU A 43 -6.950 10.363 -7.530 1.00 42.11 O ATOM 704 CB GLU A 43 -7.965 12.652 -5.588 1.00 20.13 C ATOM 705 CG GLU A 43 -8.655 13.645 -6.507 1.00 41.34 C ATOM 706 CD GLU A 43 -8.001 15.013 -6.484 1.00 12.32 C ATOM 707 OE1 GLU A 43 -7.491 15.410 -5.415 1.00 75.40 O ATOM 708 OE2 GLU A 43 -7.999 15.688 -7.535 1.00 75.52 O ATOM 0 H GLU A 43 -6.896 9.891 -5.173 1.00 15.20 H new ATOM 0 HA GLU A 43 -9.481 11.131 -5.670 1.00 31.05 H new ATOM 0 HB2 GLU A 43 -8.166 12.928 -4.553 1.00 20.13 H new ATOM 0 HB3 GLU A 43 -6.887 12.724 -5.733 1.00 20.13 H new ATOM 0 HG2 GLU A 43 -8.645 13.259 -7.526 1.00 41.34 H new ATOM 0 HG3 GLU A 43 -9.700 13.741 -6.213 1.00 41.34 H new ATOM 715 N ILE A 44 -9.060 10.875 -8.123 1.00 44.21 N ATOM 716 CA ILE A 44 -8.874 10.499 -9.519 1.00 53.41 C ATOM 717 C ILE A 44 -9.783 11.314 -10.433 1.00 52.31 C ATOM 718 O ILE A 44 -10.996 11.369 -10.232 1.00 4.23 O ATOM 719 CB ILE A 44 -9.153 9.001 -9.740 1.00 62.14 C ATOM 720 CG1 ILE A 44 -8.109 8.153 -9.012 1.00 24.35 C ATOM 721 CG2 ILE A 44 -9.162 8.678 -11.227 1.00 63.31 C ATOM 722 CD1 ILE A 44 -6.709 8.313 -9.562 1.00 61.32 C ATOM 0 H ILE A 44 -9.996 11.213 -7.898 1.00 44.21 H new ATOM 0 HA ILE A 44 -7.833 10.707 -9.766 1.00 53.41 H new ATOM 0 HB ILE A 44 -10.135 8.765 -9.331 1.00 62.14 H new ATOM 0 HG12 ILE A 44 -8.108 8.421 -7.955 1.00 24.35 H new ATOM 0 HG13 ILE A 44 -8.397 7.104 -9.075 1.00 24.35 H new ATOM 0 HG21 ILE A 44 -9.360 7.615 -11.367 1.00 63.31 H new ATOM 0 HG22 ILE A 44 -9.939 9.261 -11.721 1.00 63.31 H new ATOM 0 HG23 ILE A 44 -8.193 8.926 -11.659 1.00 63.31 H new ATOM 0 HD11 ILE A 44 -6.022 7.682 -8.998 1.00 61.32 H new ATOM 0 HD12 ILE A 44 -6.694 8.017 -10.611 1.00 61.32 H new ATOM 0 HD13 ILE A 44 -6.400 9.355 -9.474 1.00 61.32 H new ATOM 734 N GLY A 45 -9.188 11.945 -11.441 1.00 10.42 N ATOM 735 CA GLY A 45 -9.959 12.748 -12.372 1.00 60.24 C ATOM 736 C GLY A 45 -9.850 14.232 -12.087 1.00 12.52 C ATOM 737 O GLY A 45 -9.073 14.939 -12.728 1.00 14.15 O ATOM 0 H GLY A 45 -8.186 11.914 -11.629 1.00 10.42 H new ATOM 0 HA2 GLY A 45 -9.616 12.550 -13.388 1.00 60.24 H new ATOM 0 HA3 GLY A 45 -11.006 12.448 -12.325 1.00 60.24 H new ATOM 741 N ASN A 46 -10.633 14.707 -11.123 1.00 25.12 N ATOM 742 CA ASN A 46 -10.622 16.118 -10.755 1.00 52.23 C ATOM 743 C ASN A 46 -11.607 16.393 -9.623 1.00 22.44 C ATOM 744 O ASN A 46 -12.175 17.481 -9.531 1.00 32.34 O ATOM 745 CB ASN A 46 -10.968 16.985 -11.968 1.00 31.12 C ATOM 746 CG ASN A 46 -10.047 18.182 -12.105 1.00 24.51 C ATOM 747 OD1 ASN A 46 -9.821 18.918 -11.145 1.00 2.41 O ATOM 748 ND2 ASN A 46 -9.509 18.380 -13.303 1.00 54.20 N ATOM 0 H ASN A 46 -11.283 14.135 -10.583 1.00 25.12 H new ATOM 0 HA ASN A 46 -9.619 16.370 -10.410 1.00 52.23 H new ATOM 0 HB2 ASN A 46 -10.909 16.380 -12.872 1.00 31.12 H new ATOM 0 HB3 ASN A 46 -11.998 17.331 -11.882 1.00 31.12 H new ATOM 0 HD21 ASN A 46 -8.880 19.168 -13.456 1.00 54.20 H new ATOM 0 HD22 ASN A 46 -9.725 17.744 -14.070 1.00 54.20 H new ATOM 755 N ARG A 47 -11.803 15.399 -8.762 1.00 64.44 N ATOM 756 CA ARG A 47 -12.719 15.532 -7.636 1.00 44.31 C ATOM 757 C ARG A 47 -14.139 15.808 -8.120 1.00 72.43 C ATOM 758 O ARG A 47 -14.433 16.887 -8.635 1.00 74.30 O ATOM 759 CB ARG A 47 -12.258 16.657 -6.707 1.00 41.34 C ATOM 760 CG ARG A 47 -10.842 16.475 -6.186 1.00 42.31 C ATOM 761 CD ARG A 47 -9.943 17.631 -6.599 1.00 74.41 C ATOM 762 NE ARG A 47 -10.367 18.894 -6.002 1.00 11.14 N ATOM 763 CZ ARG A 47 -10.254 19.169 -4.707 1.00 13.11 C ATOM 764 NH1 ARG A 47 -9.733 18.274 -3.879 1.00 15.43 N ATOM 765 NH2 ARG A 47 -10.663 20.342 -4.238 1.00 64.55 N ATOM 0 H ARG A 47 -11.339 14.493 -8.823 1.00 64.44 H new ATOM 0 HA ARG A 47 -12.718 14.591 -7.086 1.00 44.31 H new ATOM 0 HB2 ARG A 47 -12.321 17.606 -7.240 1.00 41.34 H new ATOM 0 HB3 ARG A 47 -12.942 16.721 -5.861 1.00 41.34 H new ATOM 0 HG2 ARG A 47 -10.860 16.397 -5.099 1.00 42.31 H new ATOM 0 HG3 ARG A 47 -10.431 15.539 -6.565 1.00 42.31 H new ATOM 0 HD2 ARG A 47 -8.917 17.416 -6.302 1.00 74.41 H new ATOM 0 HD3 ARG A 47 -9.948 17.724 -7.685 1.00 74.41 H new ATOM 0 HE ARG A 47 -10.772 19.604 -6.612 1.00 11.14 H new ATOM 0 HH11 ARG A 47 -9.418 17.372 -4.236 1.00 15.43 H new ATOM 0 HH12 ARG A 47 -9.647 18.488 -2.885 1.00 15.43 H new ATOM 0 HH21 ARG A 47 -11.064 21.033 -4.872 1.00 64.55 H new ATOM 0 HH22 ARG A 47 -10.576 20.552 -3.244 1.00 64.55 H new ATOM 779 N LYS A 48 -15.017 14.824 -7.952 1.00 41.34 N ATOM 780 CA LYS A 48 -16.407 14.959 -8.371 1.00 11.21 C ATOM 781 C LYS A 48 -17.352 14.414 -7.305 1.00 23.05 C ATOM 782 O LYS A 48 -18.543 14.229 -7.554 1.00 14.53 O ATOM 783 CB LYS A 48 -16.636 14.225 -9.694 1.00 14.10 C ATOM 784 CG LYS A 48 -16.003 14.915 -10.890 1.00 21.31 C ATOM 785 CD LYS A 48 -15.684 13.926 -11.999 1.00 2.30 C ATOM 786 CE LYS A 48 -14.222 14.005 -12.413 1.00 12.44 C ATOM 787 NZ LYS A 48 -14.029 14.877 -13.605 1.00 35.33 N ATOM 0 H LYS A 48 -14.790 13.924 -7.528 1.00 41.34 H new ATOM 0 HA LYS A 48 -16.617 16.020 -8.510 1.00 11.21 H new ATOM 0 HB2 LYS A 48 -16.235 13.215 -9.614 1.00 14.10 H new ATOM 0 HB3 LYS A 48 -17.708 14.129 -9.866 1.00 14.10 H new ATOM 0 HG2 LYS A 48 -16.679 15.682 -11.268 1.00 21.31 H new ATOM 0 HG3 LYS A 48 -15.089 15.421 -10.578 1.00 21.31 H new ATOM 0 HD2 LYS A 48 -15.914 12.915 -11.663 1.00 2.30 H new ATOM 0 HD3 LYS A 48 -16.319 14.128 -12.862 1.00 2.30 H new ATOM 0 HE2 LYS A 48 -13.630 14.389 -11.582 1.00 12.44 H new ATOM 0 HE3 LYS A 48 -13.852 13.003 -12.632 1.00 12.44 H new ATOM 0 HZ1 LYS A 48 -13.020 14.905 -13.855 1.00 35.33 H new ATOM 0 HZ2 LYS A 48 -14.574 14.497 -14.405 1.00 35.33 H new ATOM 0 HZ3 LYS A 48 -14.358 15.839 -13.388 1.00 35.33 H new ATOM 801 N ILE A 49 -16.812 14.160 -6.117 1.00 74.31 N ATOM 802 CA ILE A 49 -17.609 13.638 -5.013 1.00 5.40 C ATOM 803 C ILE A 49 -18.282 14.767 -4.240 1.00 5.25 C ATOM 804 O ILE A 49 -18.960 14.530 -3.241 1.00 1.50 O ATOM 805 CB ILE A 49 -16.749 12.807 -4.042 1.00 42.42 C ATOM 806 CG1 ILE A 49 -15.724 11.977 -4.817 1.00 71.43 C ATOM 807 CG2 ILE A 49 -17.632 11.908 -3.190 1.00 3.55 C ATOM 808 CD1 ILE A 49 -14.337 12.579 -4.821 1.00 44.04 C ATOM 0 H ILE A 49 -15.827 14.307 -5.895 1.00 74.31 H new ATOM 0 HA ILE A 49 -18.373 12.995 -5.451 1.00 5.40 H new ATOM 0 HB ILE A 49 -16.212 13.488 -3.381 1.00 42.42 H new ATOM 0 HG12 ILE A 49 -15.676 10.978 -4.384 1.00 71.43 H new ATOM 0 HG13 ILE A 49 -16.065 11.863 -5.846 1.00 71.43 H new ATOM 0 HG21 ILE A 49 -17.010 11.327 -2.509 1.00 3.55 H new ATOM 0 HG22 ILE A 49 -18.327 12.520 -2.615 1.00 3.55 H new ATOM 0 HG23 ILE A 49 -18.193 11.232 -3.835 1.00 3.55 H new ATOM 0 HD11 ILE A 49 -13.663 11.937 -5.389 1.00 44.04 H new ATOM 0 HD12 ILE A 49 -14.370 13.567 -5.281 1.00 44.04 H new ATOM 0 HD13 ILE A 49 -13.976 12.668 -3.796 1.00 44.04 H new ATOM 820 N ASN A 50 -18.090 15.996 -4.710 1.00 20.54 N ATOM 821 CA ASN A 50 -18.680 17.162 -4.063 1.00 3.02 C ATOM 822 C ASN A 50 -20.177 17.241 -4.344 1.00 52.01 C ATOM 823 O ASN A 50 -20.656 16.742 -5.363 1.00 62.04 O ATOM 824 CB ASN A 50 -17.991 18.441 -4.544 1.00 61.31 C ATOM 825 CG ASN A 50 -18.527 19.681 -3.855 1.00 71.31 C ATOM 826 OD1 ASN A 50 -18.825 19.661 -2.661 1.00 3.13 O ATOM 827 ND2 ASN A 50 -18.653 20.768 -4.608 1.00 31.44 N ATOM 0 H ASN A 50 -17.531 16.210 -5.536 1.00 20.54 H new ATOM 0 HA ASN A 50 -18.535 17.062 -2.987 1.00 3.02 H new ATOM 0 HB2 ASN A 50 -16.919 18.363 -4.363 1.00 61.31 H new ATOM 0 HB3 ASN A 50 -18.126 18.540 -5.621 1.00 61.31 H new ATOM 0 HD21 ASN A 50 -19.009 21.632 -4.200 1.00 31.44 H new ATOM 0 HD22 ASN A 50 -18.393 20.738 -5.594 1.00 31.44 H new ATOM 834 N LEU A 51 -20.912 17.871 -3.434 1.00 42.44 N ATOM 835 CA LEU A 51 -22.356 18.017 -3.584 1.00 44.10 C ATOM 836 C LEU A 51 -22.691 18.991 -4.709 1.00 1.54 C ATOM 837 O LEU A 51 -23.813 19.008 -5.216 1.00 4.21 O ATOM 838 CB LEU A 51 -22.978 18.500 -2.273 1.00 1.22 C ATOM 839 CG LEU A 51 -24.506 18.498 -2.214 1.00 41.12 C ATOM 840 CD1 LEU A 51 -25.002 17.427 -1.255 1.00 2.20 C ATOM 841 CD2 LEU A 51 -25.026 19.868 -1.802 1.00 64.33 C ATOM 0 H LEU A 51 -20.532 18.289 -2.585 1.00 42.44 H new ATOM 0 HA LEU A 51 -22.771 17.042 -3.838 1.00 44.10 H new ATOM 0 HB2 LEU A 51 -22.602 17.874 -1.464 1.00 1.22 H new ATOM 0 HB3 LEU A 51 -22.628 19.514 -2.080 1.00 1.22 H new ATOM 0 HG LEU A 51 -24.888 18.271 -3.209 1.00 41.12 H new ATOM 0 HD11 LEU A 51 -26.092 17.441 -1.226 1.00 2.20 H new ATOM 0 HD12 LEU A 51 -24.660 16.449 -1.594 1.00 2.20 H new ATOM 0 HD13 LEU A 51 -24.610 17.623 -0.257 1.00 2.20 H new ATOM 0 HD21 LEU A 51 -26.115 19.848 -1.765 1.00 64.33 H new ATOM 0 HD22 LEU A 51 -24.634 20.125 -0.818 1.00 64.33 H new ATOM 0 HD23 LEU A 51 -24.701 20.614 -2.528 1.00 64.33 H new ATOM 853 N PHE A 52 -21.710 19.801 -5.095 1.00 74.13 N ATOM 854 CA PHE A 52 -21.901 20.778 -6.161 1.00 62.42 C ATOM 855 C PHE A 52 -21.415 20.225 -7.498 1.00 54.22 C ATOM 856 O PHE A 52 -21.990 20.516 -8.548 1.00 21.23 O ATOM 857 CB PHE A 52 -21.158 22.074 -5.832 1.00 40.33 C ATOM 858 CG PHE A 52 -22.011 23.303 -5.962 1.00 53.42 C ATOM 859 CD1 PHE A 52 -22.825 23.711 -4.918 1.00 11.44 C ATOM 860 CD2 PHE A 52 -21.999 24.051 -7.129 1.00 13.24 C ATOM 861 CE1 PHE A 52 -23.612 24.842 -5.035 1.00 21.40 C ATOM 862 CE2 PHE A 52 -22.784 25.183 -7.252 1.00 23.35 C ATOM 863 CZ PHE A 52 -23.590 25.579 -6.203 1.00 32.12 C ATOM 0 H PHE A 52 -20.776 19.800 -4.686 1.00 74.13 H new ATOM 0 HA PHE A 52 -22.967 20.989 -6.241 1.00 62.42 H new ATOM 0 HB2 PHE A 52 -20.773 22.014 -4.814 1.00 40.33 H new ATOM 0 HB3 PHE A 52 -20.297 22.168 -6.493 1.00 40.33 H new ATOM 0 HD1 PHE A 52 -22.845 23.139 -4.002 1.00 11.44 H new ATOM 0 HD2 PHE A 52 -21.369 23.746 -7.952 1.00 13.24 H new ATOM 0 HE1 PHE A 52 -24.243 25.149 -4.214 1.00 21.40 H new ATOM 0 HE2 PHE A 52 -22.767 25.756 -8.167 1.00 23.35 H new ATOM 0 HZ PHE A 52 -24.202 26.464 -6.296 1.00 32.12 H new ATOM 873 N TYR A 53 -20.354 19.428 -7.452 1.00 20.05 N ATOM 874 CA TYR A 53 -19.788 18.837 -8.658 1.00 75.25 C ATOM 875 C TYR A 53 -20.666 17.699 -9.171 1.00 32.15 C ATOM 876 O TYR A 53 -21.064 17.682 -10.336 1.00 64.53 O ATOM 877 CB TYR A 53 -18.374 18.322 -8.385 1.00 34.40 C ATOM 878 CG TYR A 53 -17.437 18.471 -9.562 1.00 12.40 C ATOM 879 CD1 TYR A 53 -17.802 18.028 -10.827 1.00 32.10 C ATOM 880 CD2 TYR A 53 -16.187 19.058 -9.409 1.00 24.51 C ATOM 881 CE1 TYR A 53 -16.949 18.162 -11.905 1.00 3.02 C ATOM 882 CE2 TYR A 53 -15.327 19.197 -10.481 1.00 51.24 C ATOM 883 CZ TYR A 53 -15.712 18.747 -11.727 1.00 55.41 C ATOM 884 OH TYR A 53 -14.860 18.884 -12.799 1.00 1.24 O ATOM 0 H TYR A 53 -19.868 19.176 -6.591 1.00 20.05 H new ATOM 0 HA TYR A 53 -19.743 19.611 -9.424 1.00 75.25 H new ATOM 0 HB2 TYR A 53 -17.960 18.858 -7.531 1.00 34.40 H new ATOM 0 HB3 TYR A 53 -18.427 17.270 -8.105 1.00 34.40 H new ATOM 0 HD1 TYR A 53 -18.770 17.571 -10.970 1.00 32.10 H new ATOM 0 HD2 TYR A 53 -15.882 19.412 -8.435 1.00 24.51 H new ATOM 0 HE1 TYR A 53 -17.248 17.811 -12.881 1.00 3.02 H new ATOM 0 HE2 TYR A 53 -14.359 19.655 -10.344 1.00 51.24 H new ATOM 0 HH TYR A 53 -14.031 19.316 -12.505 1.00 1.24 H new ATOM 894 N LEU A 54 -20.966 16.750 -8.291 1.00 23.23 N ATOM 895 CA LEU A 54 -21.797 15.607 -8.651 1.00 75.14 C ATOM 896 C LEU A 54 -23.194 16.059 -9.065 1.00 34.02 C ATOM 897 O LEU A 54 -23.836 15.433 -9.908 1.00 73.34 O ATOM 898 CB LEU A 54 -21.892 14.629 -7.479 1.00 4.23 C ATOM 899 CG LEU A 54 -22.930 14.964 -6.407 1.00 41.23 C ATOM 900 CD1 LEU A 54 -24.272 14.335 -6.749 1.00 43.33 C ATOM 901 CD2 LEU A 54 -22.454 14.498 -5.039 1.00 43.41 C ATOM 0 H LEU A 54 -20.646 16.750 -7.323 1.00 23.23 H new ATOM 0 HA LEU A 54 -21.331 15.104 -9.498 1.00 75.14 H new ATOM 0 HB2 LEU A 54 -22.115 13.639 -7.876 1.00 4.23 H new ATOM 0 HB3 LEU A 54 -20.914 14.568 -7.002 1.00 4.23 H new ATOM 0 HG LEU A 54 -23.056 16.046 -6.376 1.00 41.23 H new ATOM 0 HD11 LEU A 54 -24.998 14.584 -5.975 1.00 43.33 H new ATOM 0 HD12 LEU A 54 -24.619 14.717 -7.709 1.00 43.33 H new ATOM 0 HD13 LEU A 54 -24.162 13.252 -6.808 1.00 43.33 H new ATOM 0 HD21 LEU A 54 -23.205 14.745 -4.289 1.00 43.41 H new ATOM 0 HD22 LEU A 54 -22.299 13.419 -5.056 1.00 43.41 H new ATOM 0 HD23 LEU A 54 -21.516 14.996 -4.791 1.00 43.41 H new ATOM 913 N TYR A 55 -23.658 17.151 -8.467 1.00 71.20 N ATOM 914 CA TYR A 55 -24.979 17.687 -8.773 1.00 31.02 C ATOM 915 C TYR A 55 -24.979 18.400 -10.121 1.00 43.34 C ATOM 916 O TYR A 55 -25.867 18.192 -10.947 1.00 34.54 O ATOM 917 CB TYR A 55 -25.428 18.651 -7.673 1.00 52.15 C ATOM 918 CG TYR A 55 -26.721 19.370 -7.989 1.00 65.32 C ATOM 919 CD1 TYR A 55 -27.899 18.664 -8.193 1.00 35.41 C ATOM 920 CD2 TYR A 55 -26.762 20.755 -8.083 1.00 15.52 C ATOM 921 CE1 TYR A 55 -29.082 19.316 -8.482 1.00 51.23 C ATOM 922 CE2 TYR A 55 -27.941 21.417 -8.370 1.00 61.43 C ATOM 923 CZ TYR A 55 -29.098 20.693 -8.570 1.00 22.42 C ATOM 924 OH TYR A 55 -30.274 21.346 -8.856 1.00 52.55 O ATOM 0 H TYR A 55 -23.139 17.682 -7.768 1.00 71.20 H new ATOM 0 HA TYR A 55 -25.679 16.853 -8.824 1.00 31.02 H new ATOM 0 HB2 TYR A 55 -25.548 18.097 -6.742 1.00 52.15 H new ATOM 0 HB3 TYR A 55 -24.643 19.389 -7.505 1.00 52.15 H new ATOM 0 HD1 TYR A 55 -27.890 17.586 -8.125 1.00 35.41 H new ATOM 0 HD2 TYR A 55 -25.857 21.324 -7.929 1.00 15.52 H new ATOM 0 HE1 TYR A 55 -29.989 18.751 -8.638 1.00 51.23 H new ATOM 0 HE2 TYR A 55 -27.956 22.495 -8.437 1.00 61.43 H new ATOM 0 HH TYR A 55 -30.114 22.313 -8.881 1.00 52.55 H new ATOM 934 N MET A 56 -23.974 19.243 -10.337 1.00 61.13 N ATOM 935 CA MET A 56 -23.856 19.986 -11.586 1.00 44.53 C ATOM 936 C MET A 56 -23.762 19.038 -12.777 1.00 25.30 C ATOM 937 O MET A 56 -24.373 19.272 -13.820 1.00 73.22 O ATOM 938 CB MET A 56 -22.628 20.898 -11.548 1.00 3.25 C ATOM 939 CG MET A 56 -22.481 21.773 -12.782 1.00 61.42 C ATOM 940 SD MET A 56 -21.155 22.984 -12.622 1.00 14.45 S ATOM 941 CE MET A 56 -21.970 24.251 -11.652 1.00 32.10 C ATOM 0 H MET A 56 -23.230 19.428 -9.664 1.00 61.13 H new ATOM 0 HA MET A 56 -24.751 20.597 -11.701 1.00 44.53 H new ATOM 0 HB2 MET A 56 -22.687 21.536 -10.666 1.00 3.25 H new ATOM 0 HB3 MET A 56 -21.734 20.285 -11.439 1.00 3.25 H new ATOM 0 HG2 MET A 56 -22.288 21.142 -13.649 1.00 61.42 H new ATOM 0 HG3 MET A 56 -23.421 22.292 -12.968 1.00 61.42 H new ATOM 0 HE1 MET A 56 -21.288 25.087 -11.499 1.00 32.10 H new ATOM 0 HE2 MET A 56 -22.858 24.599 -12.180 1.00 32.10 H new ATOM 0 HE3 MET A 56 -22.261 23.839 -10.686 1.00 32.10 H new ATOM 951 N LEU A 57 -22.992 17.967 -12.615 1.00 72.11 N ATOM 952 CA LEU A 57 -22.818 16.982 -13.677 1.00 41.33 C ATOM 953 C LEU A 57 -24.149 16.332 -14.040 1.00 62.25 C ATOM 954 O LEU A 57 -24.504 16.234 -15.215 1.00 51.12 O ATOM 955 CB LEU A 57 -21.814 15.911 -13.247 1.00 52.21 C ATOM 956 CG LEU A 57 -20.421 16.008 -13.870 1.00 31.10 C ATOM 957 CD1 LEU A 57 -19.435 15.134 -13.111 1.00 30.23 C ATOM 958 CD2 LEU A 57 -20.465 15.613 -15.339 1.00 11.30 C ATOM 0 H LEU A 57 -22.478 17.759 -11.759 1.00 72.11 H new ATOM 0 HA LEU A 57 -22.435 17.497 -14.558 1.00 41.33 H new ATOM 0 HB2 LEU A 57 -21.709 15.954 -12.163 1.00 52.21 H new ATOM 0 HB3 LEU A 57 -22.231 14.933 -13.488 1.00 52.21 H new ATOM 0 HG LEU A 57 -20.085 17.043 -13.802 1.00 31.10 H new ATOM 0 HD11 LEU A 57 -18.449 15.216 -13.569 1.00 30.23 H new ATOM 0 HD12 LEU A 57 -19.382 15.463 -12.073 1.00 30.23 H new ATOM 0 HD13 LEU A 57 -19.766 14.096 -13.146 1.00 30.23 H new ATOM 0 HD21 LEU A 57 -19.465 15.688 -15.766 1.00 11.30 H new ATOM 0 HD22 LEU A 57 -20.822 14.587 -15.429 1.00 11.30 H new ATOM 0 HD23 LEU A 57 -21.139 16.281 -15.875 1.00 11.30 H new ATOM 970 N VAL A 58 -24.882 15.890 -13.024 1.00 35.40 N ATOM 971 CA VAL A 58 -26.176 15.251 -13.236 1.00 12.44 C ATOM 972 C VAL A 58 -27.136 16.184 -13.966 1.00 60.43 C ATOM 973 O VAL A 58 -27.804 15.780 -14.917 1.00 74.14 O ATOM 974 CB VAL A 58 -26.814 14.819 -11.902 1.00 4.03 C ATOM 975 CG1 VAL A 58 -28.184 14.203 -12.139 1.00 63.44 C ATOM 976 CG2 VAL A 58 -25.903 13.847 -11.167 1.00 2.22 C ATOM 0 H VAL A 58 -24.603 15.962 -12.046 1.00 35.40 H new ATOM 0 HA VAL A 58 -25.996 14.367 -13.848 1.00 12.44 H new ATOM 0 HB VAL A 58 -26.944 15.703 -11.278 1.00 4.03 H new ATOM 0 HG11 VAL A 58 -28.619 13.904 -11.185 1.00 63.44 H new ATOM 0 HG12 VAL A 58 -28.833 14.934 -12.620 1.00 63.44 H new ATOM 0 HG13 VAL A 58 -28.083 13.328 -12.782 1.00 63.44 H new ATOM 0 HG21 VAL A 58 -26.369 13.552 -10.227 1.00 2.22 H new ATOM 0 HG22 VAL A 58 -25.740 12.963 -11.784 1.00 2.22 H new ATOM 0 HG23 VAL A 58 -24.947 14.328 -10.963 1.00 2.22 H new ATOM 986 N GLN A 59 -27.198 17.432 -13.515 1.00 42.31 N ATOM 987 CA GLN A 59 -28.077 18.422 -14.127 1.00 5.34 C ATOM 988 C GLN A 59 -27.752 18.598 -15.606 1.00 44.53 C ATOM 989 O GLN A 59 -28.642 18.825 -16.426 1.00 1.21 O ATOM 990 CB GLN A 59 -27.951 19.763 -13.402 1.00 14.35 C ATOM 991 CG GLN A 59 -29.284 20.458 -13.173 1.00 40.35 C ATOM 992 CD GLN A 59 -29.679 21.356 -14.329 1.00 74.14 C ATOM 993 OE1 GLN A 59 -28.965 22.299 -14.671 1.00 31.02 O ATOM 994 NE2 GLN A 59 -30.823 21.067 -14.939 1.00 61.35 N ATOM 0 H GLN A 59 -26.651 17.782 -12.729 1.00 42.31 H new ATOM 0 HA GLN A 59 -29.103 18.064 -14.040 1.00 5.34 H new ATOM 0 HB2 GLN A 59 -27.464 19.602 -12.440 1.00 14.35 H new ATOM 0 HB3 GLN A 59 -27.303 20.420 -13.981 1.00 14.35 H new ATOM 0 HG2 GLN A 59 -30.059 19.707 -13.019 1.00 40.35 H new ATOM 0 HG3 GLN A 59 -29.229 21.051 -12.260 1.00 40.35 H new ATOM 0 HE21 GLN A 59 -31.384 20.276 -14.623 1.00 61.35 H new ATOM 0 HE22 GLN A 59 -31.141 21.636 -15.724 1.00 61.35 H new ATOM 1003 N LYS A 60 -26.470 18.493 -15.942 1.00 53.31 N ATOM 1004 CA LYS A 60 -26.026 18.640 -17.323 1.00 74.02 C ATOM 1005 C LYS A 60 -26.372 17.399 -18.140 1.00 42.24 C ATOM 1006 O LYS A 60 -26.646 17.489 -19.337 1.00 63.44 O ATOM 1007 CB LYS A 60 -24.518 18.892 -17.372 1.00 24.35 C ATOM 1008 CG LYS A 60 -23.937 18.842 -18.774 1.00 53.13 C ATOM 1009 CD LYS A 60 -24.579 19.880 -19.680 1.00 62.21 C ATOM 1010 CE LYS A 60 -23.938 19.888 -21.059 1.00 42.15 C ATOM 1011 NZ LYS A 60 -23.797 21.270 -21.597 1.00 70.43 N ATOM 0 H LYS A 60 -25.720 18.307 -15.276 1.00 53.31 H new ATOM 0 HA LYS A 60 -26.545 19.495 -17.756 1.00 74.02 H new ATOM 0 HB2 LYS A 60 -24.307 19.868 -16.935 1.00 24.35 H new ATOM 0 HB3 LYS A 60 -24.014 18.150 -16.753 1.00 24.35 H new ATOM 0 HG2 LYS A 60 -22.861 19.012 -18.729 1.00 53.13 H new ATOM 0 HG3 LYS A 60 -24.086 17.848 -19.195 1.00 53.13 H new ATOM 0 HD2 LYS A 60 -25.645 19.673 -19.774 1.00 62.21 H new ATOM 0 HD3 LYS A 60 -24.485 20.867 -19.228 1.00 62.21 H new ATOM 0 HE2 LYS A 60 -22.956 19.417 -21.006 1.00 42.15 H new ATOM 0 HE3 LYS A 60 -24.541 19.292 -21.743 1.00 42.15 H new ATOM 0 HZ1 LYS A 60 -23.356 21.233 -22.538 1.00 70.43 H new ATOM 0 HZ2 LYS A 60 -24.736 21.711 -21.672 1.00 70.43 H new ATOM 0 HZ3 LYS A 60 -23.200 21.832 -20.957 1.00 70.43 H new ATOM 1025 N PHE A 61 -26.359 16.243 -17.486 1.00 65.31 N ATOM 1026 CA PHE A 61 -26.671 14.984 -18.152 1.00 70.33 C ATOM 1027 C PHE A 61 -28.173 14.849 -18.384 1.00 13.12 C ATOM 1028 O PHE A 61 -28.628 13.930 -19.064 1.00 42.52 O ATOM 1029 CB PHE A 61 -26.164 13.803 -17.322 1.00 2.03 C ATOM 1030 CG PHE A 61 -24.864 13.237 -17.817 1.00 22.53 C ATOM 1031 CD1 PHE A 61 -23.676 13.925 -17.628 1.00 13.01 C ATOM 1032 CD2 PHE A 61 -24.829 12.015 -18.470 1.00 51.33 C ATOM 1033 CE1 PHE A 61 -22.479 13.406 -18.083 1.00 41.22 C ATOM 1034 CE2 PHE A 61 -23.635 11.491 -18.927 1.00 44.35 C ATOM 1035 CZ PHE A 61 -22.458 12.187 -18.733 1.00 2.34 C ATOM 0 H PHE A 61 -26.136 16.152 -16.495 1.00 65.31 H new ATOM 0 HA PHE A 61 -26.169 14.981 -19.120 1.00 70.33 H new ATOM 0 HB2 PHE A 61 -26.041 14.123 -16.287 1.00 2.03 H new ATOM 0 HB3 PHE A 61 -26.918 13.016 -17.325 1.00 2.03 H new ATOM 0 HD1 PHE A 61 -23.686 14.878 -17.119 1.00 13.01 H new ATOM 0 HD2 PHE A 61 -25.746 11.466 -18.623 1.00 51.33 H new ATOM 0 HE1 PHE A 61 -21.560 13.953 -17.931 1.00 41.22 H new ATOM 0 HE2 PHE A 61 -23.622 10.538 -19.435 1.00 44.35 H new ATOM 0 HZ PHE A 61 -21.523 11.779 -19.089 1.00 2.34 H new ATOM 1045 N GLY A 62 -28.939 15.773 -17.811 1.00 75.22 N ATOM 1046 CA GLY A 62 -30.382 15.740 -17.966 1.00 31.34 C ATOM 1047 C GLY A 62 -31.083 15.177 -16.745 1.00 11.42 C ATOM 1048 O GLY A 62 -32.223 14.722 -16.830 1.00 2.15 O ATOM 0 H GLY A 62 -28.586 16.543 -17.243 1.00 75.22 H new ATOM 0 HA2 GLY A 62 -30.747 16.749 -18.158 1.00 31.34 H new ATOM 0 HA3 GLY A 62 -30.637 15.138 -18.838 1.00 31.34 H new ATOM 1052 N GLY A 63 -30.399 15.207 -15.605 1.00 0.40 N ATOM 1053 CA GLY A 63 -30.978 14.692 -14.378 1.00 54.13 C ATOM 1054 C GLY A 63 -30.553 13.266 -14.090 1.00 44.13 C ATOM 1055 O GLY A 63 -30.014 12.584 -14.962 1.00 2.25 O ATOM 0 H GLY A 63 -29.454 15.579 -15.510 1.00 0.40 H new ATOM 0 HA2 GLY A 63 -30.684 15.331 -13.545 1.00 54.13 H new ATOM 0 HA3 GLY A 63 -32.065 14.737 -14.446 1.00 54.13 H new ATOM 1059 N ALA A 64 -30.793 12.815 -12.864 1.00 32.33 N ATOM 1060 CA ALA A 64 -30.431 11.461 -12.463 1.00 72.34 C ATOM 1061 C ALA A 64 -31.134 10.424 -13.334 1.00 11.42 C ATOM 1062 O ALA A 64 -30.594 9.349 -13.594 1.00 42.33 O ATOM 1063 CB ALA A 64 -30.768 11.236 -10.997 1.00 4.34 C ATOM 0 H ALA A 64 -31.237 13.368 -12.130 1.00 32.33 H new ATOM 0 HA ALA A 64 -29.356 11.344 -12.599 1.00 72.34 H new ATOM 0 HB1 ALA A 64 -30.492 10.221 -10.712 1.00 4.34 H new ATOM 0 HB2 ALA A 64 -30.216 11.948 -10.383 1.00 4.34 H new ATOM 0 HB3 ALA A 64 -31.838 11.378 -10.844 1.00 4.34 H new ATOM 1069 N ASP A 65 -32.341 10.754 -13.780 1.00 11.31 N ATOM 1070 CA ASP A 65 -33.118 9.852 -14.622 1.00 31.13 C ATOM 1071 C ASP A 65 -32.445 9.658 -15.977 1.00 10.40 C ATOM 1072 O ASP A 65 -32.464 8.564 -16.539 1.00 21.43 O ATOM 1073 CB ASP A 65 -34.535 10.394 -14.815 1.00 32.31 C ATOM 1074 CG ASP A 65 -35.340 10.380 -13.530 1.00 74.24 C ATOM 1075 OD1 ASP A 65 -34.780 9.993 -12.484 1.00 12.33 O ATOM 1076 OD2 ASP A 65 -36.531 10.755 -13.572 1.00 72.21 O ATOM 0 H ASP A 65 -32.803 11.640 -13.572 1.00 11.31 H new ATOM 0 HA ASP A 65 -33.172 8.885 -14.122 1.00 31.13 H new ATOM 0 HB2 ASP A 65 -34.482 11.414 -15.196 1.00 32.31 H new ATOM 0 HB3 ASP A 65 -35.049 9.798 -15.569 1.00 32.31 H new ATOM 1081 N GLN A 66 -31.853 10.729 -16.496 1.00 25.00 N ATOM 1082 CA GLN A 66 -31.175 10.677 -17.786 1.00 74.52 C ATOM 1083 C GLN A 66 -29.891 9.860 -17.694 1.00 62.31 C ATOM 1084 O GLN A 66 -29.546 9.119 -18.615 1.00 53.12 O ATOM 1085 CB GLN A 66 -30.861 12.090 -18.279 1.00 3.24 C ATOM 1086 CG GLN A 66 -30.897 12.229 -19.792 1.00 3.40 C ATOM 1087 CD GLN A 66 -31.732 13.409 -20.250 1.00 32.42 C ATOM 1088 OE1 GLN A 66 -32.731 13.758 -19.621 1.00 33.14 O ATOM 1089 NE2 GLN A 66 -31.327 14.030 -21.351 1.00 64.32 N ATOM 0 H GLN A 66 -31.829 11.643 -16.043 1.00 25.00 H new ATOM 0 HA GLN A 66 -31.842 10.192 -18.499 1.00 74.52 H new ATOM 0 HB2 GLN A 66 -31.577 12.786 -17.842 1.00 3.24 H new ATOM 0 HB3 GLN A 66 -29.874 12.380 -17.919 1.00 3.24 H new ATOM 0 HG2 GLN A 66 -29.880 12.341 -20.167 1.00 3.40 H new ATOM 0 HG3 GLN A 66 -31.298 11.314 -20.228 1.00 3.40 H new ATOM 0 HE21 GLN A 66 -30.493 13.707 -21.841 1.00 64.32 H new ATOM 0 HE22 GLN A 66 -31.850 14.830 -21.707 1.00 64.32 H new ATOM 1098 N VAL A 67 -29.185 10.000 -16.576 1.00 70.13 N ATOM 1099 CA VAL A 67 -27.938 9.274 -16.363 1.00 54.43 C ATOM 1100 C VAL A 67 -28.191 7.778 -16.222 1.00 61.53 C ATOM 1101 O VAL A 67 -27.375 6.956 -16.642 1.00 2.11 O ATOM 1102 CB VAL A 67 -27.202 9.780 -15.108 1.00 52.15 C ATOM 1103 CG1 VAL A 67 -25.883 9.044 -14.930 1.00 33.31 C ATOM 1104 CG2 VAL A 67 -26.976 11.282 -15.193 1.00 14.12 C ATOM 0 H VAL A 67 -29.455 10.609 -15.804 1.00 70.13 H new ATOM 0 HA VAL A 67 -27.313 9.453 -17.238 1.00 54.43 H new ATOM 0 HB VAL A 67 -27.824 9.578 -14.236 1.00 52.15 H new ATOM 0 HG11 VAL A 67 -25.377 9.415 -14.039 1.00 33.31 H new ATOM 0 HG12 VAL A 67 -26.074 7.976 -14.822 1.00 33.31 H new ATOM 0 HG13 VAL A 67 -25.252 9.213 -15.802 1.00 33.31 H new ATOM 0 HG21 VAL A 67 -26.455 11.623 -14.298 1.00 14.12 H new ATOM 0 HG22 VAL A 67 -26.374 11.510 -16.073 1.00 14.12 H new ATOM 0 HG23 VAL A 67 -27.937 11.791 -15.269 1.00 14.12 H new ATOM 1114 N THR A 68 -29.328 7.428 -15.629 1.00 20.12 N ATOM 1115 CA THR A 68 -29.689 6.030 -15.431 1.00 63.34 C ATOM 1116 C THR A 68 -30.426 5.475 -16.645 1.00 44.43 C ATOM 1117 O THR A 68 -30.403 4.271 -16.900 1.00 52.23 O ATOM 1118 CB THR A 68 -30.571 5.848 -14.182 1.00 54.22 C ATOM 1119 OG1 THR A 68 -30.806 4.455 -13.946 1.00 43.41 O ATOM 1120 CG2 THR A 68 -31.900 6.570 -14.349 1.00 10.11 C ATOM 0 H THR A 68 -30.015 8.094 -15.277 1.00 20.12 H new ATOM 0 HA THR A 68 -28.758 5.481 -15.292 1.00 63.34 H new ATOM 0 HB THR A 68 -30.046 6.277 -13.328 1.00 54.22 H new ATOM 0 HG1 THR A 68 -31.366 4.348 -13.149 1.00 43.41 H new ATOM 0 HG21 THR A 68 -32.506 6.427 -13.455 1.00 10.11 H new ATOM 0 HG22 THR A 68 -31.719 7.634 -14.499 1.00 10.11 H new ATOM 0 HG23 THR A 68 -32.427 6.166 -15.213 1.00 10.11 H new ATOM 1128 N ARG A 69 -31.077 6.361 -17.391 1.00 54.34 N ATOM 1129 CA ARG A 69 -31.822 5.960 -18.579 1.00 23.41 C ATOM 1130 C ARG A 69 -30.882 5.421 -19.653 1.00 63.33 C ATOM 1131 O ARG A 69 -31.210 4.466 -20.359 1.00 44.55 O ATOM 1132 CB ARG A 69 -32.620 7.142 -19.131 1.00 3.31 C ATOM 1133 CG ARG A 69 -33.361 6.828 -20.420 1.00 13.10 C ATOM 1134 CD ARG A 69 -34.440 5.779 -20.201 1.00 21.14 C ATOM 1135 NE ARG A 69 -35.574 6.309 -19.449 1.00 54.11 N ATOM 1136 CZ ARG A 69 -36.500 7.102 -19.978 1.00 32.53 C ATOM 1137 NH1 ARG A 69 -36.426 7.453 -21.254 1.00 14.31 N ATOM 1138 NH2 ARG A 69 -37.503 7.543 -19.229 1.00 41.53 N ATOM 0 H ARG A 69 -31.104 7.361 -17.194 1.00 54.34 H new ATOM 0 HA ARG A 69 -32.513 5.167 -18.293 1.00 23.41 H new ATOM 0 HB2 ARG A 69 -33.339 7.467 -18.379 1.00 3.31 H new ATOM 0 HB3 ARG A 69 -31.942 7.977 -19.306 1.00 3.31 H new ATOM 0 HG2 ARG A 69 -33.812 7.739 -20.813 1.00 13.10 H new ATOM 0 HG3 ARG A 69 -32.654 6.473 -21.170 1.00 13.10 H new ATOM 0 HD2 ARG A 69 -34.786 5.408 -21.166 1.00 21.14 H new ATOM 0 HD3 ARG A 69 -34.016 4.929 -19.666 1.00 21.14 H new ATOM 0 HE ARG A 69 -35.660 6.057 -18.464 1.00 54.11 H new ATOM 0 HH11 ARG A 69 -35.657 7.114 -21.832 1.00 14.31 H new ATOM 0 HH12 ARG A 69 -37.138 8.062 -21.658 1.00 14.31 H new ATOM 0 HH21 ARG A 69 -37.563 7.273 -18.247 1.00 41.53 H new ATOM 0 HH22 ARG A 69 -38.214 8.152 -19.635 1.00 41.53 H new ATOM 1152 N THR A 70 -29.711 6.039 -19.772 1.00 64.31 N ATOM 1153 CA THR A 70 -28.724 5.623 -20.761 1.00 22.03 C ATOM 1154 C THR A 70 -27.567 4.879 -20.104 1.00 30.24 C ATOM 1155 O THR A 70 -26.576 4.554 -20.757 1.00 32.41 O ATOM 1156 CB THR A 70 -28.167 6.829 -21.540 1.00 43.21 C ATOM 1157 OG1 THR A 70 -27.900 7.912 -20.642 1.00 11.02 O ATOM 1158 CG2 THR A 70 -29.148 7.282 -22.611 1.00 31.42 C ATOM 0 H THR A 70 -29.423 6.830 -19.196 1.00 64.31 H new ATOM 0 HA THR A 70 -29.234 4.955 -21.455 1.00 22.03 H new ATOM 0 HB THR A 70 -27.240 6.523 -22.025 1.00 43.21 H new ATOM 0 HG1 THR A 70 -27.545 8.674 -21.145 1.00 11.02 H new ATOM 0 HG21 THR A 70 -28.732 8.135 -23.148 1.00 31.42 H new ATOM 0 HG22 THR A 70 -29.326 6.465 -23.310 1.00 31.42 H new ATOM 0 HG23 THR A 70 -30.089 7.571 -22.143 1.00 31.42 H new ATOM 1166 N GLN A 71 -27.701 4.612 -18.808 1.00 43.14 N ATOM 1167 CA GLN A 71 -26.665 3.906 -18.064 1.00 31.43 C ATOM 1168 C GLN A 71 -25.311 4.586 -18.235 1.00 11.42 C ATOM 1169 O GLN A 71 -24.305 3.929 -18.497 1.00 63.33 O ATOM 1170 CB GLN A 71 -26.579 2.450 -18.525 1.00 30.42 C ATOM 1171 CG GLN A 71 -27.841 1.648 -18.248 1.00 41.32 C ATOM 1172 CD GLN A 71 -28.176 0.683 -19.368 1.00 15.10 C ATOM 1173 OE1 GLN A 71 -27.686 -0.446 -19.398 1.00 44.32 O ATOM 1174 NE2 GLN A 71 -29.017 1.123 -20.297 1.00 14.02 N ATOM 0 H GLN A 71 -28.516 4.874 -18.253 1.00 43.14 H new ATOM 0 HA GLN A 71 -26.932 3.931 -17.008 1.00 31.43 H new ATOM 0 HB2 GLN A 71 -26.372 2.428 -19.595 1.00 30.42 H new ATOM 0 HB3 GLN A 71 -25.737 1.969 -18.028 1.00 30.42 H new ATOM 0 HG2 GLN A 71 -27.717 1.092 -17.319 1.00 41.32 H new ATOM 0 HG3 GLN A 71 -28.677 2.332 -18.101 1.00 41.32 H new ATOM 0 HE21 GLN A 71 -29.400 2.066 -20.233 1.00 14.02 H new ATOM 0 HE22 GLN A 71 -29.280 0.518 -21.074 1.00 14.02 H new ATOM 1183 N GLN A 72 -25.295 5.907 -18.085 1.00 31.14 N ATOM 1184 CA GLN A 72 -24.064 6.676 -18.224 1.00 13.22 C ATOM 1185 C GLN A 72 -23.301 6.725 -16.905 1.00 3.15 C ATOM 1186 O GLN A 72 -22.154 7.170 -16.856 1.00 63.54 O ATOM 1187 CB GLN A 72 -24.377 8.096 -18.699 1.00 5.30 C ATOM 1188 CG GLN A 72 -24.595 8.201 -20.200 1.00 12.44 C ATOM 1189 CD GLN A 72 -23.350 7.864 -20.996 1.00 32.41 C ATOM 1190 OE1 GLN A 72 -23.413 6.782 -21.763 1.00 53.12 O flip ATOM 1191 NE2 GLN A 72 -22.342 8.567 -20.922 1.00 73.32 N flip ATOM 0 H GLN A 72 -26.120 6.466 -17.867 1.00 31.14 H new ATOM 0 HA GLN A 72 -23.438 6.181 -18.966 1.00 13.22 H new ATOM 0 HB2 GLN A 72 -25.269 8.454 -18.185 1.00 5.30 H new ATOM 0 HB3 GLN A 72 -23.558 8.755 -18.412 1.00 5.30 H new ATOM 0 HG2 GLN A 72 -25.402 7.530 -20.494 1.00 12.44 H new ATOM 0 HG3 GLN A 72 -24.916 9.213 -20.447 1.00 12.44 H new ATOM 0 HE21 GLN A 72 -22.337 9.390 -20.320 1.00 73.32 H new ATOM 0 HE22 GLN A 72 -21.512 8.326 -21.463 1.00 73.32 H new ATOM 1200 N TRP A 73 -23.944 6.266 -15.837 1.00 51.33 N ATOM 1201 CA TRP A 73 -23.325 6.258 -14.517 1.00 10.34 C ATOM 1202 C TRP A 73 -21.953 5.596 -14.563 1.00 23.42 C ATOM 1203 O TRP A 73 -21.003 6.071 -13.941 1.00 24.31 O ATOM 1204 CB TRP A 73 -24.223 5.531 -13.514 1.00 42.13 C ATOM 1205 CG TRP A 73 -23.574 5.319 -12.180 1.00 44.31 C ATOM 1206 CD1 TRP A 73 -23.434 4.135 -11.515 1.00 73.53 C ATOM 1207 CD2 TRP A 73 -22.978 6.321 -11.348 1.00 63.24 C ATOM 1208 NE1 TRP A 73 -22.788 4.339 -10.320 1.00 43.23 N ATOM 1209 CE2 TRP A 73 -22.496 5.672 -10.195 1.00 31.33 C ATOM 1210 CE3 TRP A 73 -22.802 7.702 -11.467 1.00 11.12 C ATOM 1211 CZ2 TRP A 73 -21.853 6.358 -9.168 1.00 41.44 C ATOM 1212 CZ3 TRP A 73 -22.164 8.382 -10.447 1.00 42.21 C ATOM 1213 CH2 TRP A 73 -21.695 7.710 -9.311 1.00 3.15 C ATOM 0 H TRP A 73 -24.894 5.895 -15.860 1.00 51.33 H new ATOM 0 HA TRP A 73 -23.198 7.292 -14.197 1.00 10.34 H new ATOM 0 HB2 TRP A 73 -25.140 6.104 -13.377 1.00 42.13 H new ATOM 0 HB3 TRP A 73 -24.510 4.564 -13.928 1.00 42.13 H new ATOM 0 HD1 TRP A 73 -23.781 3.178 -11.876 1.00 73.53 H new ATOM 0 HE1 TRP A 73 -22.562 3.616 -9.637 1.00 43.23 H new ATOM 0 HE3 TRP A 73 -23.158 8.228 -12.340 1.00 11.12 H new ATOM 0 HZ2 TRP A 73 -21.492 5.842 -8.291 1.00 41.44 H new ATOM 0 HZ3 TRP A 73 -22.025 9.450 -10.527 1.00 42.21 H new ATOM 0 HH2 TRP A 73 -21.199 8.270 -8.532 1.00 3.15 H new ATOM 1224 N SER A 74 -21.856 4.496 -15.303 1.00 43.14 N ATOM 1225 CA SER A 74 -20.599 3.766 -15.427 1.00 54.33 C ATOM 1226 C SER A 74 -19.551 4.608 -16.150 1.00 35.52 C ATOM 1227 O SER A 74 -18.366 4.558 -15.822 1.00 73.41 O ATOM 1228 CB SER A 74 -20.821 2.452 -16.178 1.00 64.21 C ATOM 1229 OG SER A 74 -21.942 1.754 -15.665 1.00 53.00 O ATOM 0 H SER A 74 -22.632 4.091 -15.826 1.00 43.14 H new ATOM 0 HA SER A 74 -20.234 3.546 -14.424 1.00 54.33 H new ATOM 0 HB2 SER A 74 -20.970 2.656 -17.238 1.00 64.21 H new ATOM 0 HB3 SER A 74 -19.931 1.828 -16.096 1.00 64.21 H new ATOM 0 HG SER A 74 -22.063 0.919 -16.163 1.00 53.00 H new ATOM 1235 N MET A 75 -19.998 5.380 -17.135 1.00 32.23 N ATOM 1236 CA MET A 75 -19.100 6.233 -17.904 1.00 2.45 C ATOM 1237 C MET A 75 -18.632 7.422 -17.069 1.00 72.42 C ATOM 1238 O MET A 75 -17.441 7.729 -17.022 1.00 11.32 O ATOM 1239 CB MET A 75 -19.795 6.729 -19.173 1.00 63.23 C ATOM 1240 CG MET A 75 -18.894 7.556 -20.076 1.00 25.30 C ATOM 1241 SD MET A 75 -19.347 7.426 -21.816 1.00 44.34 S ATOM 1242 CE MET A 75 -18.093 6.293 -22.409 1.00 63.13 C ATOM 0 H MET A 75 -20.976 5.432 -17.419 1.00 32.23 H new ATOM 0 HA MET A 75 -18.228 5.642 -18.183 1.00 2.45 H new ATOM 0 HB2 MET A 75 -20.167 5.871 -19.733 1.00 63.23 H new ATOM 0 HB3 MET A 75 -20.662 7.327 -18.892 1.00 63.23 H new ATOM 0 HG2 MET A 75 -18.940 8.601 -19.770 1.00 25.30 H new ATOM 0 HG3 MET A 75 -17.861 7.231 -19.948 1.00 25.30 H new ATOM 0 HE1 MET A 75 -18.240 6.113 -23.474 1.00 63.13 H new ATOM 0 HE2 MET A 75 -17.106 6.726 -22.247 1.00 63.13 H new ATOM 0 HE3 MET A 75 -18.169 5.350 -21.867 1.00 63.13 H new ATOM 1252 N VAL A 76 -19.578 8.087 -16.412 1.00 65.54 N ATOM 1253 CA VAL A 76 -19.262 9.241 -15.579 1.00 61.42 C ATOM 1254 C VAL A 76 -18.446 8.830 -14.358 1.00 54.42 C ATOM 1255 O VAL A 76 -17.385 9.393 -14.090 1.00 71.34 O ATOM 1256 CB VAL A 76 -20.540 9.961 -15.111 1.00 11.12 C ATOM 1257 CG1 VAL A 76 -20.189 11.176 -14.266 1.00 12.14 C ATOM 1258 CG2 VAL A 76 -21.394 10.361 -16.305 1.00 20.53 C ATOM 0 H VAL A 76 -20.569 7.846 -16.441 1.00 65.54 H new ATOM 0 HA VAL A 76 -18.674 9.923 -16.192 1.00 61.42 H new ATOM 0 HB VAL A 76 -21.118 9.273 -14.494 1.00 11.12 H new ATOM 0 HG11 VAL A 76 -21.105 11.672 -13.944 1.00 12.14 H new ATOM 0 HG12 VAL A 76 -19.621 10.859 -13.391 1.00 12.14 H new ATOM 0 HG13 VAL A 76 -19.589 11.869 -14.856 1.00 12.14 H new ATOM 0 HG21 VAL A 76 -22.293 10.869 -15.956 1.00 20.53 H new ATOM 0 HG22 VAL A 76 -20.826 11.032 -16.950 1.00 20.53 H new ATOM 0 HG23 VAL A 76 -21.675 9.470 -16.866 1.00 20.53 H new ATOM 1268 N ALA A 77 -18.950 7.846 -13.621 1.00 22.21 N ATOM 1269 CA ALA A 77 -18.267 7.358 -12.429 1.00 61.12 C ATOM 1270 C ALA A 77 -16.853 6.891 -12.759 1.00 73.31 C ATOM 1271 O ALA A 77 -15.928 7.081 -11.971 1.00 22.24 O ATOM 1272 CB ALA A 77 -19.062 6.229 -11.790 1.00 12.31 C ATOM 0 H ALA A 77 -19.829 7.371 -13.828 1.00 22.21 H new ATOM 0 HA ALA A 77 -18.193 8.182 -11.720 1.00 61.12 H new ATOM 0 HB1 ALA A 77 -18.540 5.874 -10.901 1.00 12.31 H new ATOM 0 HB2 ALA A 77 -20.050 6.593 -11.510 1.00 12.31 H new ATOM 0 HB3 ALA A 77 -19.166 5.409 -12.501 1.00 12.31 H new ATOM 1278 N GLN A 78 -16.695 6.278 -13.928 1.00 51.52 N ATOM 1279 CA GLN A 78 -15.394 5.783 -14.361 1.00 23.05 C ATOM 1280 C GLN A 78 -14.389 6.924 -14.478 1.00 65.13 C ATOM 1281 O GLN A 78 -13.195 6.740 -14.238 1.00 52.00 O ATOM 1282 CB GLN A 78 -15.520 5.058 -15.702 1.00 12.43 C ATOM 1283 CG GLN A 78 -14.183 4.670 -16.312 1.00 31.12 C ATOM 1284 CD GLN A 78 -13.893 5.411 -17.602 1.00 71.01 C ATOM 1285 OE1 GLN A 78 -13.761 6.635 -17.612 1.00 44.11 O ATOM 1286 NE2 GLN A 78 -13.792 4.671 -18.700 1.00 54.22 N ATOM 0 H GLN A 78 -17.452 6.112 -14.592 1.00 51.52 H new ATOM 0 HA GLN A 78 -15.033 5.081 -13.610 1.00 23.05 H new ATOM 0 HB2 GLN A 78 -16.122 4.160 -15.565 1.00 12.43 H new ATOM 0 HB3 GLN A 78 -16.057 5.698 -16.402 1.00 12.43 H new ATOM 0 HG2 GLN A 78 -13.388 4.873 -15.594 1.00 31.12 H new ATOM 0 HG3 GLN A 78 -14.173 3.597 -16.504 1.00 31.12 H new ATOM 0 HE21 GLN A 78 -13.909 3.659 -18.646 1.00 54.22 H new ATOM 0 HE22 GLN A 78 -13.598 5.114 -19.598 1.00 54.22 H new ATOM 1295 N ARG A 79 -14.879 8.102 -14.850 1.00 21.10 N ATOM 1296 CA ARG A 79 -14.023 9.272 -15.001 1.00 50.42 C ATOM 1297 C ARG A 79 -13.295 9.586 -13.697 1.00 60.33 C ATOM 1298 O ARG A 79 -12.103 9.898 -13.699 1.00 14.04 O ATOM 1299 CB ARG A 79 -14.850 10.482 -15.439 1.00 53.44 C ATOM 1300 CG ARG A 79 -14.312 11.170 -16.683 1.00 44.40 C ATOM 1301 CD ARG A 79 -15.409 11.913 -17.429 1.00 35.33 C ATOM 1302 NE ARG A 79 -14.872 12.780 -18.473 1.00 44.22 N ATOM 1303 CZ ARG A 79 -14.427 12.334 -19.643 1.00 34.32 C ATOM 1304 NH1 ARG A 79 -14.457 11.037 -19.916 1.00 31.44 N ATOM 1305 NH2 ARG A 79 -13.952 13.186 -20.543 1.00 35.45 N ATOM 0 H ARG A 79 -15.864 8.271 -15.052 1.00 21.10 H new ATOM 0 HA ARG A 79 -13.280 9.051 -15.767 1.00 50.42 H new ATOM 0 HB2 ARG A 79 -15.875 10.162 -15.626 1.00 53.44 H new ATOM 0 HB3 ARG A 79 -14.885 11.203 -14.622 1.00 53.44 H new ATOM 0 HG2 ARG A 79 -13.525 11.869 -16.401 1.00 44.40 H new ATOM 0 HG3 ARG A 79 -13.860 10.429 -17.343 1.00 44.40 H new ATOM 0 HD2 ARG A 79 -16.096 11.193 -17.874 1.00 35.33 H new ATOM 0 HD3 ARG A 79 -15.986 12.510 -16.723 1.00 35.33 H new ATOM 0 HE ARG A 79 -14.836 13.784 -18.295 1.00 44.22 H new ATOM 0 HH11 ARG A 79 -14.822 10.379 -19.227 1.00 31.44 H new ATOM 0 HH12 ARG A 79 -14.115 10.697 -20.815 1.00 31.44 H new ATOM 0 HH21 ARG A 79 -13.928 14.185 -20.337 1.00 35.45 H new ATOM 0 HH22 ARG A 79 -13.611 12.842 -21.441 1.00 35.45 H new ATOM 1319 N LEU A 80 -14.019 9.501 -12.587 1.00 22.13 N ATOM 1320 CA LEU A 80 -13.442 9.776 -11.275 1.00 74.30 C ATOM 1321 C LEU A 80 -13.051 8.481 -10.570 1.00 34.21 C ATOM 1322 O LEU A 80 -12.568 8.501 -9.438 1.00 54.42 O ATOM 1323 CB LEU A 80 -14.435 10.559 -10.414 1.00 41.00 C ATOM 1324 CG LEU A 80 -13.844 11.299 -9.213 1.00 61.33 C ATOM 1325 CD1 LEU A 80 -13.397 12.696 -9.614 1.00 63.14 C ATOM 1326 CD2 LEU A 80 -14.855 11.366 -8.078 1.00 23.32 C ATOM 0 H LEU A 80 -15.006 9.244 -12.568 1.00 22.13 H new ATOM 0 HA LEU A 80 -12.543 10.375 -11.419 1.00 74.30 H new ATOM 0 HB2 LEU A 80 -14.942 11.285 -11.049 1.00 41.00 H new ATOM 0 HB3 LEU A 80 -15.195 9.867 -10.051 1.00 41.00 H new ATOM 0 HG LEU A 80 -12.971 10.747 -8.864 1.00 61.33 H new ATOM 0 HD11 LEU A 80 -12.979 13.207 -8.747 1.00 63.14 H new ATOM 0 HD12 LEU A 80 -12.639 12.626 -10.394 1.00 63.14 H new ATOM 0 HD13 LEU A 80 -14.252 13.258 -9.989 1.00 63.14 H new ATOM 0 HD21 LEU A 80 -14.418 11.896 -7.232 1.00 23.32 H new ATOM 0 HD22 LEU A 80 -15.746 11.895 -8.416 1.00 23.32 H new ATOM 0 HD23 LEU A 80 -15.126 10.356 -7.772 1.00 23.32 H new ATOM 1338 N GLN A 81 -13.262 7.357 -11.248 1.00 0.13 N ATOM 1339 CA GLN A 81 -12.930 6.053 -10.686 1.00 42.20 C ATOM 1340 C GLN A 81 -13.813 5.737 -9.484 1.00 14.32 C ATOM 1341 O GLN A 81 -13.371 5.103 -8.525 1.00 45.54 O ATOM 1342 CB GLN A 81 -11.457 6.011 -10.276 1.00 44.13 C ATOM 1343 CG GLN A 81 -10.904 4.602 -10.136 1.00 33.22 C ATOM 1344 CD GLN A 81 -9.519 4.577 -9.521 1.00 63.32 C ATOM 1345 OE1 GLN A 81 -9.368 4.620 -8.300 1.00 22.21 O ATOM 1346 NE2 GLN A 81 -8.497 4.506 -10.367 1.00 10.44 N ATOM 0 H GLN A 81 -13.661 7.323 -12.186 1.00 0.13 H new ATOM 0 HA GLN A 81 -13.108 5.299 -11.453 1.00 42.20 H new ATOM 0 HB2 GLN A 81 -10.867 6.552 -11.016 1.00 44.13 H new ATOM 0 HB3 GLN A 81 -11.337 6.535 -9.328 1.00 44.13 H new ATOM 0 HG2 GLN A 81 -11.581 4.010 -9.521 1.00 33.22 H new ATOM 0 HG3 GLN A 81 -10.870 4.130 -11.118 1.00 33.22 H new ATOM 0 HE21 GLN A 81 -8.668 4.472 -11.372 1.00 10.44 H new ATOM 0 HE22 GLN A 81 -7.541 4.485 -10.012 1.00 10.44 H new ATOM 1355 N ILE A 82 -15.064 6.183 -9.541 1.00 43.23 N ATOM 1356 CA ILE A 82 -16.009 5.947 -8.457 1.00 51.13 C ATOM 1357 C ILE A 82 -16.643 4.565 -8.572 1.00 55.24 C ATOM 1358 O ILE A 82 -16.732 3.828 -7.591 1.00 31.13 O ATOM 1359 CB ILE A 82 -17.123 7.011 -8.440 1.00 24.14 C ATOM 1360 CG1 ILE A 82 -16.529 8.398 -8.183 1.00 71.31 C ATOM 1361 CG2 ILE A 82 -18.163 6.671 -7.384 1.00 35.35 C ATOM 1362 CD1 ILE A 82 -17.408 9.530 -8.667 1.00 63.11 C ATOM 0 H ILE A 82 -15.446 6.710 -10.327 1.00 43.23 H new ATOM 0 HA ILE A 82 -15.444 6.009 -7.527 1.00 51.13 H new ATOM 0 HB ILE A 82 -17.612 7.020 -9.414 1.00 24.14 H new ATOM 0 HG12 ILE A 82 -16.353 8.517 -7.114 1.00 71.31 H new ATOM 0 HG13 ILE A 82 -15.559 8.466 -8.675 1.00 71.31 H new ATOM 0 HG21 ILE A 82 -18.944 7.432 -7.384 1.00 35.35 H new ATOM 0 HG22 ILE A 82 -18.603 5.699 -7.607 1.00 35.35 H new ATOM 0 HG23 ILE A 82 -17.688 6.638 -6.403 1.00 35.35 H new ATOM 0 HD11 ILE A 82 -16.925 10.483 -8.452 1.00 63.11 H new ATOM 0 HD12 ILE A 82 -17.563 9.436 -9.742 1.00 63.11 H new ATOM 0 HD13 ILE A 82 -18.370 9.488 -8.156 1.00 63.11 H new ATOM 1374 N SER A 83 -17.082 4.220 -9.779 1.00 30.03 N ATOM 1375 CA SER A 83 -17.710 2.927 -10.023 1.00 32.25 C ATOM 1376 C SER A 83 -16.740 1.973 -10.712 1.00 24.42 C ATOM 1377 O SER A 83 -16.882 1.674 -11.897 1.00 74.45 O ATOM 1378 CB SER A 83 -18.967 3.100 -10.878 1.00 21.32 C ATOM 1379 OG SER A 83 -19.684 1.882 -10.982 1.00 14.11 O ATOM 0 H SER A 83 -17.014 4.818 -10.602 1.00 30.03 H new ATOM 0 HA SER A 83 -17.990 2.500 -9.060 1.00 32.25 H new ATOM 0 HB2 SER A 83 -19.607 3.866 -10.439 1.00 21.32 H new ATOM 0 HB3 SER A 83 -18.689 3.448 -11.873 1.00 21.32 H new ATOM 0 HG SER A 83 -20.484 2.019 -11.532 1.00 14.11 H new ATOM 1385 N ASP A 84 -15.752 1.498 -9.960 1.00 53.30 N ATOM 1386 CA ASP A 84 -14.757 0.577 -10.497 1.00 15.03 C ATOM 1387 C ASP A 84 -15.227 -0.868 -10.363 1.00 30.23 C ATOM 1388 O ASP A 84 -14.564 -1.691 -9.731 1.00 63.11 O ATOM 1389 CB ASP A 84 -13.420 0.761 -9.777 1.00 74.31 C ATOM 1390 CG ASP A 84 -12.575 1.855 -10.398 1.00 4.35 C ATOM 1391 OD1 ASP A 84 -13.152 2.863 -10.855 1.00 11.42 O ATOM 1392 OD2 ASP A 84 -11.335 1.703 -10.427 1.00 12.34 O ATOM 0 H ASP A 84 -15.619 1.736 -8.977 1.00 53.30 H new ATOM 0 HA ASP A 84 -14.624 0.800 -11.556 1.00 15.03 H new ATOM 0 HB2 ASP A 84 -13.604 0.999 -8.729 1.00 74.31 H new ATOM 0 HB3 ASP A 84 -12.867 -0.178 -9.798 1.00 74.31 H new ATOM 1397 N TYR A 85 -16.375 -1.170 -10.960 1.00 3.42 N ATOM 1398 CA TYR A 85 -16.935 -2.515 -10.904 1.00 50.42 C ATOM 1399 C TYR A 85 -17.435 -2.839 -9.500 1.00 3.13 C ATOM 1400 O TYR A 85 -18.045 -2.000 -8.838 1.00 34.10 O ATOM 1401 CB TYR A 85 -15.889 -3.544 -11.336 1.00 0.22 C ATOM 1402 CG TYR A 85 -15.062 -3.105 -12.523 1.00 62.21 C ATOM 1403 CD1 TYR A 85 -15.668 -2.611 -13.672 1.00 24.30 C ATOM 1404 CD2 TYR A 85 -13.675 -3.185 -12.497 1.00 31.44 C ATOM 1405 CE1 TYR A 85 -14.916 -2.210 -14.760 1.00 32.04 C ATOM 1406 CE2 TYR A 85 -12.916 -2.785 -13.579 1.00 23.02 C ATOM 1407 CZ TYR A 85 -13.541 -2.298 -14.708 1.00 23.31 C ATOM 1408 OH TYR A 85 -12.788 -1.900 -15.789 1.00 3.24 O ATOM 0 H TYR A 85 -16.936 -0.501 -11.488 1.00 3.42 H new ATOM 0 HA TYR A 85 -17.781 -2.558 -11.590 1.00 50.42 H new ATOM 0 HB2 TYR A 85 -15.224 -3.749 -10.497 1.00 0.22 H new ATOM 0 HB3 TYR A 85 -16.391 -4.480 -11.580 1.00 0.22 H new ATOM 0 HD1 TYR A 85 -16.745 -2.539 -13.715 1.00 24.30 H new ATOM 0 HD2 TYR A 85 -13.182 -3.567 -11.615 1.00 31.44 H new ATOM 0 HE1 TYR A 85 -15.403 -1.830 -15.646 1.00 32.04 H new ATOM 0 HE2 TYR A 85 -11.839 -2.853 -13.541 1.00 23.02 H new ATOM 0 HH TYR A 85 -11.837 -2.026 -15.589 1.00 3.24 H new ATOM 1418 N GLN A 86 -17.169 -4.062 -9.052 1.00 74.01 N ATOM 1419 CA GLN A 86 -17.592 -4.498 -7.726 1.00 62.15 C ATOM 1420 C GLN A 86 -17.175 -3.488 -6.663 1.00 14.24 C ATOM 1421 O GLN A 86 -17.877 -3.293 -5.671 1.00 14.31 O ATOM 1422 CB GLN A 86 -16.997 -5.870 -7.404 1.00 72.13 C ATOM 1423 CG GLN A 86 -15.482 -5.864 -7.287 1.00 4.13 C ATOM 1424 CD GLN A 86 -14.857 -7.174 -7.725 1.00 2.20 C ATOM 1425 OE1 GLN A 86 -15.094 -7.647 -8.837 1.00 1.50 O ATOM 1426 NE2 GLN A 86 -14.053 -7.768 -6.851 1.00 61.21 N ATOM 0 H GLN A 86 -16.663 -4.768 -9.587 1.00 74.01 H new ATOM 0 HA GLN A 86 -18.680 -4.572 -7.724 1.00 62.15 H new ATOM 0 HB2 GLN A 86 -17.424 -6.231 -6.468 1.00 72.13 H new ATOM 0 HB3 GLN A 86 -17.290 -6.575 -8.182 1.00 72.13 H new ATOM 0 HG2 GLN A 86 -15.078 -5.053 -7.893 1.00 4.13 H new ATOM 0 HG3 GLN A 86 -15.202 -5.660 -6.253 1.00 4.13 H new ATOM 0 HE21 GLN A 86 -13.885 -7.340 -5.940 1.00 61.21 H new ATOM 0 HE22 GLN A 86 -13.604 -8.652 -7.090 1.00 61.21 H new ATOM 1435 N GLN A 87 -16.030 -2.849 -6.876 1.00 65.24 N ATOM 1436 CA GLN A 87 -15.520 -1.860 -5.935 1.00 2.35 C ATOM 1437 C GLN A 87 -16.544 -0.754 -5.699 1.00 64.11 C ATOM 1438 O GLN A 87 -16.595 -0.160 -4.621 1.00 44.35 O ATOM 1439 CB GLN A 87 -14.212 -1.258 -6.452 1.00 70.21 C ATOM 1440 CG GLN A 87 -13.075 -1.315 -5.444 1.00 54.22 C ATOM 1441 CD GLN A 87 -12.460 0.045 -5.182 1.00 1.43 C ATOM 1442 OE1 GLN A 87 -12.488 0.476 -3.926 1.00 34.35 O flip ATOM 1443 NE2 GLN A 87 -11.964 0.703 -6.098 1.00 31.12 N flip ATOM 0 H GLN A 87 -15.437 -2.999 -7.693 1.00 65.24 H new ATOM 0 HA GLN A 87 -15.330 -2.363 -4.987 1.00 2.35 H new ATOM 0 HB2 GLN A 87 -13.911 -1.786 -7.357 1.00 70.21 H new ATOM 0 HB3 GLN A 87 -14.386 -0.219 -6.733 1.00 70.21 H new ATOM 0 HG2 GLN A 87 -13.446 -1.729 -4.506 1.00 54.22 H new ATOM 0 HG3 GLN A 87 -12.304 -1.994 -5.809 1.00 54.22 H new ATOM 0 HE21 GLN A 87 -11.964 0.334 -7.049 1.00 31.12 H new ATOM 0 HE22 GLN A 87 -11.554 1.617 -5.905 1.00 31.12 H new ATOM 1452 N LEU A 88 -17.357 -0.483 -6.713 1.00 54.34 N ATOM 1453 CA LEU A 88 -18.381 0.552 -6.617 1.00 41.53 C ATOM 1454 C LEU A 88 -19.269 0.328 -5.398 1.00 13.31 C ATOM 1455 O LEU A 88 -19.799 1.278 -4.822 1.00 32.22 O ATOM 1456 CB LEU A 88 -19.234 0.573 -7.887 1.00 2.40 C ATOM 1457 CG LEU A 88 -20.407 -0.406 -7.924 1.00 32.34 C ATOM 1458 CD1 LEU A 88 -21.658 0.237 -7.346 1.00 11.22 C ATOM 1459 CD2 LEU A 88 -20.659 -0.884 -9.346 1.00 53.33 C ATOM 0 H LEU A 88 -17.328 -0.965 -7.611 1.00 54.34 H new ATOM 0 HA LEU A 88 -17.881 1.514 -6.507 1.00 41.53 H new ATOM 0 HB2 LEU A 88 -19.624 1.582 -8.022 1.00 2.40 H new ATOM 0 HB3 LEU A 88 -18.587 0.365 -8.739 1.00 2.40 H new ATOM 0 HG LEU A 88 -20.152 -1.271 -7.312 1.00 32.34 H new ATOM 0 HD11 LEU A 88 -22.482 -0.475 -7.381 1.00 11.22 H new ATOM 0 HD12 LEU A 88 -21.473 0.528 -6.312 1.00 11.22 H new ATOM 0 HD13 LEU A 88 -21.916 1.120 -7.930 1.00 11.22 H new ATOM 0 HD21 LEU A 88 -21.498 -1.580 -9.353 1.00 53.33 H new ATOM 0 HD22 LEU A 88 -20.892 -0.029 -9.981 1.00 53.33 H new ATOM 0 HD23 LEU A 88 -19.768 -1.385 -9.725 1.00 53.33 H new ATOM 1471 N GLU A 89 -19.425 -0.933 -5.009 1.00 72.45 N ATOM 1472 CA GLU A 89 -20.248 -1.281 -3.857 1.00 74.12 C ATOM 1473 C GLU A 89 -19.608 -0.788 -2.563 1.00 15.23 C ATOM 1474 O GLU A 89 -20.294 -0.294 -1.667 1.00 73.44 O ATOM 1475 CB GLU A 89 -20.458 -2.795 -3.790 1.00 72.35 C ATOM 1476 CG GLU A 89 -21.902 -3.199 -3.543 1.00 22.51 C ATOM 1477 CD GLU A 89 -22.144 -4.676 -3.788 1.00 74.11 C ATOM 1478 OE1 GLU A 89 -21.167 -5.397 -4.077 1.00 64.34 O ATOM 1479 OE2 GLU A 89 -23.311 -5.110 -3.691 1.00 71.40 O ATOM 0 H GLU A 89 -18.992 -1.731 -5.475 1.00 72.45 H new ATOM 0 HA GLU A 89 -21.215 -0.792 -3.973 1.00 74.12 H new ATOM 0 HB2 GLU A 89 -20.119 -3.242 -4.725 1.00 72.35 H new ATOM 0 HB3 GLU A 89 -19.834 -3.205 -2.996 1.00 72.35 H new ATOM 0 HG2 GLU A 89 -22.173 -2.956 -2.516 1.00 22.51 H new ATOM 0 HG3 GLU A 89 -22.555 -2.615 -4.192 1.00 22.51 H new ATOM 1486 N SER A 90 -18.290 -0.926 -2.471 1.00 44.55 N ATOM 1487 CA SER A 90 -17.557 -0.498 -1.285 1.00 64.35 C ATOM 1488 C SER A 90 -17.542 1.023 -1.175 1.00 2.23 C ATOM 1489 O SER A 90 -17.742 1.580 -0.095 1.00 21.34 O ATOM 1490 CB SER A 90 -16.123 -1.032 -1.326 1.00 74.01 C ATOM 1491 OG SER A 90 -15.519 -0.967 -0.046 1.00 64.22 O ATOM 0 H SER A 90 -17.707 -1.331 -3.204 1.00 44.55 H new ATOM 0 HA SER A 90 -18.064 -0.903 -0.409 1.00 64.35 H new ATOM 0 HB2 SER A 90 -16.125 -2.063 -1.679 1.00 74.01 H new ATOM 0 HB3 SER A 90 -15.536 -0.453 -2.039 1.00 74.01 H new ATOM 0 HG SER A 90 -16.117 -1.369 0.619 1.00 64.22 H new ATOM 1497 N ILE A 91 -17.303 1.690 -2.299 1.00 73.43 N ATOM 1498 CA ILE A 91 -17.263 3.146 -2.330 1.00 13.34 C ATOM 1499 C ILE A 91 -18.638 3.740 -2.041 1.00 40.24 C ATOM 1500 O ILE A 91 -18.761 4.719 -1.305 1.00 1.13 O ATOM 1501 CB ILE A 91 -16.766 3.668 -3.691 1.00 35.31 C ATOM 1502 CG1 ILE A 91 -15.475 2.954 -4.095 1.00 21.54 C ATOM 1503 CG2 ILE A 91 -16.551 5.173 -3.635 1.00 62.41 C ATOM 1504 CD1 ILE A 91 -14.345 3.144 -3.107 1.00 11.01 C ATOM 0 H ILE A 91 -17.134 1.244 -3.201 1.00 73.43 H new ATOM 0 HA ILE A 91 -16.564 3.459 -1.554 1.00 13.34 H new ATOM 0 HB ILE A 91 -17.526 3.458 -4.444 1.00 35.31 H new ATOM 0 HG12 ILE A 91 -15.677 1.888 -4.203 1.00 21.54 H new ATOM 0 HG13 ILE A 91 -15.158 3.319 -5.072 1.00 21.54 H new ATOM 0 HG21 ILE A 91 -16.200 5.527 -4.604 1.00 62.41 H new ATOM 0 HG22 ILE A 91 -17.491 5.666 -3.388 1.00 62.41 H new ATOM 0 HG23 ILE A 91 -15.808 5.406 -2.873 1.00 62.41 H new ATOM 0 HD11 ILE A 91 -13.462 2.610 -3.458 1.00 11.01 H new ATOM 0 HD12 ILE A 91 -14.115 4.206 -3.017 1.00 11.01 H new ATOM 0 HD13 ILE A 91 -14.643 2.753 -2.134 1.00 11.01 H new ATOM 1516 N TYR A 92 -19.669 3.141 -2.625 1.00 74.44 N ATOM 1517 CA TYR A 92 -21.036 3.610 -2.432 1.00 51.21 C ATOM 1518 C TYR A 92 -21.490 3.389 -0.992 1.00 44.23 C ATOM 1519 O TYR A 92 -22.176 4.229 -0.409 1.00 61.13 O ATOM 1520 CB TYR A 92 -21.985 2.892 -3.393 1.00 51.43 C ATOM 1521 CG TYR A 92 -23.380 3.475 -3.414 1.00 74.32 C ATOM 1522 CD1 TYR A 92 -23.643 4.677 -4.059 1.00 73.10 C ATOM 1523 CD2 TYR A 92 -24.436 2.822 -2.790 1.00 30.33 C ATOM 1524 CE1 TYR A 92 -24.916 5.213 -4.080 1.00 34.32 C ATOM 1525 CE2 TYR A 92 -25.713 3.349 -2.807 1.00 3.43 C ATOM 1526 CZ TYR A 92 -25.948 4.545 -3.453 1.00 3.25 C ATOM 1527 OH TYR A 92 -27.218 5.075 -3.472 1.00 65.02 O ATOM 0 H TYR A 92 -19.584 2.329 -3.236 1.00 74.44 H new ATOM 0 HA TYR A 92 -21.058 4.680 -2.641 1.00 51.21 H new ATOM 0 HB2 TYR A 92 -21.568 2.932 -4.399 1.00 51.43 H new ATOM 0 HB3 TYR A 92 -22.044 1.840 -3.114 1.00 51.43 H new ATOM 0 HD1 TYR A 92 -22.838 5.201 -4.553 1.00 73.10 H new ATOM 0 HD2 TYR A 92 -24.255 1.886 -2.283 1.00 30.33 H new ATOM 0 HE1 TYR A 92 -25.103 6.150 -4.584 1.00 34.32 H new ATOM 0 HE2 TYR A 92 -26.522 2.828 -2.317 1.00 3.43 H new ATOM 0 HH TYR A 92 -27.828 4.481 -2.986 1.00 65.02 H new ATOM 1537 N PHE A 93 -21.100 2.253 -0.424 1.00 72.21 N ATOM 1538 CA PHE A 93 -21.466 1.919 0.948 1.00 41.24 C ATOM 1539 C PHE A 93 -20.814 2.884 1.934 1.00 34.11 C ATOM 1540 O PHE A 93 -21.483 3.448 2.800 1.00 0.32 O ATOM 1541 CB PHE A 93 -21.052 0.483 1.273 1.00 33.51 C ATOM 1542 CG PHE A 93 -21.768 -0.092 2.462 1.00 24.42 C ATOM 1543 CD1 PHE A 93 -21.536 0.405 3.734 1.00 5.32 C ATOM 1544 CD2 PHE A 93 -22.672 -1.131 2.308 1.00 43.12 C ATOM 1545 CE1 PHE A 93 -22.192 -0.121 4.831 1.00 74.25 C ATOM 1546 CE2 PHE A 93 -23.332 -1.661 3.400 1.00 22.12 C ATOM 1547 CZ PHE A 93 -23.091 -1.157 4.663 1.00 1.52 C ATOM 0 H PHE A 93 -20.531 1.548 -0.892 1.00 72.21 H new ATOM 0 HA PHE A 93 -22.548 2.007 1.041 1.00 41.24 H new ATOM 0 HB2 PHE A 93 -21.243 -0.147 0.404 1.00 33.51 H new ATOM 0 HB3 PHE A 93 -19.978 0.456 1.457 1.00 33.51 H new ATOM 0 HD1 PHE A 93 -20.834 1.214 3.870 1.00 5.32 H new ATOM 0 HD2 PHE A 93 -22.863 -1.531 1.323 1.00 43.12 H new ATOM 0 HE1 PHE A 93 -22.002 0.277 5.817 1.00 74.25 H new ATOM 0 HE2 PHE A 93 -24.036 -2.469 3.266 1.00 22.12 H new ATOM 0 HZ PHE A 93 -23.604 -1.572 5.518 1.00 1.52 H new ATOM 1557 N ARG A 94 -19.505 3.067 1.796 1.00 14.32 N ATOM 1558 CA ARG A 94 -18.762 3.962 2.676 1.00 74.23 C ATOM 1559 C ARG A 94 -19.235 5.403 2.510 1.00 43.21 C ATOM 1560 O ARG A 94 -19.267 6.171 3.472 1.00 31.44 O ATOM 1561 CB ARG A 94 -17.263 3.868 2.385 1.00 54.30 C ATOM 1562 CG ARG A 94 -16.536 2.857 3.256 1.00 71.24 C ATOM 1563 CD ARG A 94 -17.128 1.464 3.104 1.00 2.14 C ATOM 1564 NE ARG A 94 -17.968 1.100 4.242 1.00 51.00 N ATOM 1565 CZ ARG A 94 -18.382 -0.139 4.483 1.00 12.10 C ATOM 1566 NH1 ARG A 94 -18.035 -1.127 3.670 1.00 21.45 N ATOM 1567 NH2 ARG A 94 -19.145 -0.391 5.539 1.00 22.21 N ATOM 0 H ARG A 94 -18.937 2.608 1.084 1.00 14.32 H new ATOM 0 HA ARG A 94 -18.945 3.655 3.706 1.00 74.23 H new ATOM 0 HB2 ARG A 94 -17.121 3.601 1.338 1.00 54.30 H new ATOM 0 HB3 ARG A 94 -16.811 4.850 2.528 1.00 54.30 H new ATOM 0 HG2 ARG A 94 -15.480 2.836 2.987 1.00 71.24 H new ATOM 0 HG3 ARG A 94 -16.593 3.166 4.300 1.00 71.24 H new ATOM 0 HD2 ARG A 94 -17.718 1.419 2.189 1.00 2.14 H new ATOM 0 HD3 ARG A 94 -16.323 0.737 3.001 1.00 2.14 H new ATOM 0 HE ARG A 94 -18.252 1.837 4.887 1.00 51.00 H new ATOM 0 HH11 ARG A 94 -17.449 -0.937 2.857 1.00 21.45 H new ATOM 0 HH12 ARG A 94 -18.354 -2.078 3.857 1.00 21.45 H new ATOM 0 HH21 ARG A 94 -19.414 0.367 6.166 1.00 22.21 H new ATOM 0 HH22 ARG A 94 -19.462 -1.343 5.723 1.00 22.21 H new ATOM 1581 N ILE A 95 -19.599 5.764 1.284 1.00 60.30 N ATOM 1582 CA ILE A 95 -20.070 7.112 0.993 1.00 44.11 C ATOM 1583 C ILE A 95 -21.510 7.304 1.457 1.00 64.12 C ATOM 1584 O ILE A 95 -21.937 8.423 1.746 1.00 64.52 O ATOM 1585 CB ILE A 95 -19.981 7.427 -0.512 1.00 62.21 C ATOM 1586 CG1 ILE A 95 -18.519 7.574 -0.939 1.00 41.21 C ATOM 1587 CG2 ILE A 95 -20.763 8.691 -0.836 1.00 20.10 C ATOM 1588 CD1 ILE A 95 -18.323 7.561 -2.439 1.00 53.10 C ATOM 0 H ILE A 95 -19.577 5.141 0.476 1.00 60.30 H new ATOM 0 HA ILE A 95 -19.421 7.797 1.538 1.00 44.11 H new ATOM 0 HB ILE A 95 -20.421 6.599 -1.068 1.00 62.21 H new ATOM 0 HG12 ILE A 95 -18.124 8.507 -0.537 1.00 41.21 H new ATOM 0 HG13 ILE A 95 -17.937 6.765 -0.498 1.00 41.21 H new ATOM 0 HG21 ILE A 95 -20.690 8.900 -1.903 1.00 20.10 H new ATOM 0 HG22 ILE A 95 -21.809 8.551 -0.564 1.00 20.10 H new ATOM 0 HG23 ILE A 95 -20.350 9.528 -0.273 1.00 20.10 H new ATOM 0 HD11 ILE A 95 -17.263 7.669 -2.668 1.00 53.10 H new ATOM 0 HD12 ILE A 95 -18.688 6.618 -2.845 1.00 53.10 H new ATOM 0 HD13 ILE A 95 -18.877 8.387 -2.886 1.00 53.10 H new ATOM 1600 N LEU A 96 -22.254 6.206 1.528 1.00 64.35 N ATOM 1601 CA LEU A 96 -23.646 6.252 1.959 1.00 75.33 C ATOM 1602 C LEU A 96 -23.757 6.044 3.466 1.00 71.22 C ATOM 1603 O LEU A 96 -24.829 6.210 4.049 1.00 11.13 O ATOM 1604 CB LEU A 96 -24.464 5.187 1.224 1.00 3.43 C ATOM 1605 CG LEU A 96 -25.978 5.245 1.428 1.00 20.44 C ATOM 1606 CD1 LEU A 96 -26.702 5.095 0.099 1.00 22.14 C ATOM 1607 CD2 LEU A 96 -26.425 4.167 2.406 1.00 54.42 C ATOM 0 H LEU A 96 -21.916 5.273 1.293 1.00 64.35 H new ATOM 0 HA LEU A 96 -24.043 7.238 1.717 1.00 75.33 H new ATOM 0 HB2 LEU A 96 -24.258 5.271 0.157 1.00 3.43 H new ATOM 0 HB3 LEU A 96 -24.112 4.205 1.540 1.00 3.43 H new ATOM 0 HG LEU A 96 -26.232 6.218 1.848 1.00 20.44 H new ATOM 0 HD11 LEU A 96 -27.779 5.139 0.264 1.00 22.14 H new ATOM 0 HD12 LEU A 96 -26.405 5.902 -0.571 1.00 22.14 H new ATOM 0 HD13 LEU A 96 -26.443 4.136 -0.351 1.00 22.14 H new ATOM 0 HD21 LEU A 96 -27.505 4.222 2.540 1.00 54.42 H new ATOM 0 HD22 LEU A 96 -26.158 3.186 2.013 1.00 54.42 H new ATOM 0 HD23 LEU A 96 -25.932 4.320 3.366 1.00 54.42 H new ATOM 1619 N LEU A 97 -22.642 5.681 4.091 1.00 15.51 N ATOM 1620 CA LEU A 97 -22.613 5.453 5.532 1.00 50.14 C ATOM 1621 C LEU A 97 -23.361 6.556 6.273 1.00 13.12 C ATOM 1622 O LEU A 97 -23.567 7.655 5.758 1.00 52.20 O ATOM 1623 CB LEU A 97 -21.168 5.380 6.027 1.00 65.23 C ATOM 1624 CG LEU A 97 -20.478 4.022 5.887 1.00 13.01 C ATOM 1625 CD1 LEU A 97 -19.004 4.132 6.246 1.00 55.23 C ATOM 1626 CD2 LEU A 97 -21.165 2.983 6.761 1.00 74.31 C ATOM 0 H LEU A 97 -21.747 5.538 3.623 1.00 15.51 H new ATOM 0 HA LEU A 97 -23.109 4.504 5.735 1.00 50.14 H new ATOM 0 HB2 LEU A 97 -20.581 6.121 5.484 1.00 65.23 H new ATOM 0 HB3 LEU A 97 -21.150 5.667 7.078 1.00 65.23 H new ATOM 0 HG LEU A 97 -20.555 3.702 4.848 1.00 13.01 H new ATOM 0 HD11 LEU A 97 -18.530 3.156 6.140 1.00 55.23 H new ATOM 0 HD12 LEU A 97 -18.519 4.845 5.579 1.00 55.23 H new ATOM 0 HD13 LEU A 97 -18.905 4.474 7.276 1.00 55.23 H new ATOM 0 HD21 LEU A 97 -20.661 2.023 6.649 1.00 74.31 H new ATOM 0 HD22 LEU A 97 -21.120 3.297 7.804 1.00 74.31 H new ATOM 0 HD23 LEU A 97 -22.207 2.884 6.457 1.00 74.31 H new ATOM 1638 N PRO A 98 -23.777 6.259 7.513 1.00 22.04 N ATOM 1639 CA PRO A 98 -24.506 7.213 8.354 1.00 52.32 C ATOM 1640 C PRO A 98 -23.625 8.367 8.820 1.00 23.10 C ATOM 1641 O PRO A 98 -24.064 9.516 8.870 1.00 72.03 O ATOM 1642 CB PRO A 98 -24.953 6.366 9.547 1.00 20.55 C ATOM 1643 CG PRO A 98 -23.965 5.253 9.613 1.00 63.21 C ATOM 1644 CD PRO A 98 -23.566 4.969 8.191 1.00 32.30 C ATOM 0 HA PRO A 98 -25.329 7.684 7.816 1.00 52.32 H new ATOM 0 HB2 PRO A 98 -24.955 6.949 10.468 1.00 20.55 H new ATOM 0 HB3 PRO A 98 -25.966 5.988 9.407 1.00 20.55 H new ATOM 0 HG2 PRO A 98 -23.099 5.535 10.212 1.00 63.21 H new ATOM 0 HG3 PRO A 98 -24.402 4.370 10.079 1.00 63.21 H new ATOM 0 HD2 PRO A 98 -22.528 4.644 8.122 1.00 32.30 H new ATOM 0 HD3 PRO A 98 -24.177 4.180 7.752 1.00 32.30 H new ATOM 1652 N TYR A 99 -22.379 8.054 9.160 1.00 35.42 N ATOM 1653 CA TYR A 99 -21.437 9.064 9.624 1.00 4.43 C ATOM 1654 C TYR A 99 -21.053 10.012 8.492 1.00 25.10 C ATOM 1655 O TYR A 99 -21.002 11.227 8.676 1.00 4.54 O ATOM 1656 CB TYR A 99 -20.183 8.399 10.195 1.00 71.12 C ATOM 1657 CG TYR A 99 -19.482 9.229 11.246 1.00 43.31 C ATOM 1658 CD1 TYR A 99 -18.992 10.495 10.947 1.00 32.24 C ATOM 1659 CD2 TYR A 99 -19.310 8.748 12.538 1.00 4.42 C ATOM 1660 CE1 TYR A 99 -18.350 11.256 11.904 1.00 12.44 C ATOM 1661 CE2 TYR A 99 -18.670 9.504 13.502 1.00 31.31 C ATOM 1662 CZ TYR A 99 -18.192 10.757 13.180 1.00 22.32 C ATOM 1663 OH TYR A 99 -17.554 11.513 14.137 1.00 70.12 O ATOM 0 H TYR A 99 -21.999 7.108 9.123 1.00 35.42 H new ATOM 0 HA TYR A 99 -21.923 9.643 10.410 1.00 4.43 H new ATOM 0 HB2 TYR A 99 -20.457 7.437 10.628 1.00 71.12 H new ATOM 0 HB3 TYR A 99 -19.487 8.196 9.381 1.00 71.12 H new ATOM 0 HD1 TYR A 99 -19.115 10.890 9.949 1.00 32.24 H new ATOM 0 HD2 TYR A 99 -19.683 7.767 12.793 1.00 4.42 H new ATOM 0 HE1 TYR A 99 -17.974 12.237 11.654 1.00 12.44 H new ATOM 0 HE2 TYR A 99 -18.545 9.116 14.502 1.00 31.31 H new ATOM 0 HH TYR A 99 -17.527 11.017 14.982 1.00 70.12 H new ATOM 1673 N GLU A 100 -20.784 9.445 7.320 1.00 22.10 N ATOM 1674 CA GLU A 100 -20.404 10.239 6.157 1.00 31.33 C ATOM 1675 C GLU A 100 -21.553 11.141 5.716 1.00 70.23 C ATOM 1676 O GLU A 100 -21.367 12.337 5.493 1.00 4.24 O ATOM 1677 CB GLU A 100 -19.986 9.325 5.003 1.00 3.51 C ATOM 1678 CG GLU A 100 -19.830 10.052 3.678 1.00 45.12 C ATOM 1679 CD GLU A 100 -19.200 11.423 3.835 1.00 60.34 C ATOM 1680 OE1 GLU A 100 -18.106 11.509 4.431 1.00 54.20 O ATOM 1681 OE2 GLU A 100 -19.802 12.409 3.360 1.00 23.02 O ATOM 0 H GLU A 100 -20.822 8.440 7.151 1.00 22.10 H new ATOM 0 HA GLU A 100 -19.559 10.867 6.438 1.00 31.33 H new ATOM 0 HB2 GLU A 100 -19.042 8.842 5.256 1.00 3.51 H new ATOM 0 HB3 GLU A 100 -20.728 8.535 4.889 1.00 3.51 H new ATOM 0 HG2 GLU A 100 -19.217 9.450 3.007 1.00 45.12 H new ATOM 0 HG3 GLU A 100 -20.808 10.157 3.208 1.00 45.12 H new ATOM 1688 N ARG A 101 -22.741 10.558 5.590 1.00 23.23 N ATOM 1689 CA ARG A 101 -23.920 11.307 5.174 1.00 44.54 C ATOM 1690 C ARG A 101 -24.273 12.379 6.200 1.00 12.45 C ATOM 1691 O ARG A 101 -24.743 13.462 5.847 1.00 23.33 O ATOM 1692 CB ARG A 101 -25.107 10.364 4.976 1.00 32.54 C ATOM 1693 CG ARG A 101 -25.670 9.813 6.277 1.00 52.24 C ATOM 1694 CD ARG A 101 -26.890 8.940 6.030 1.00 73.32 C ATOM 1695 NE ARG A 101 -28.036 9.718 5.565 1.00 25.21 N ATOM 1696 CZ ARG A 101 -29.141 9.174 5.068 1.00 22.43 C ATOM 1697 NH1 ARG A 101 -29.250 7.856 4.973 1.00 63.33 N ATOM 1698 NH2 ARG A 101 -30.140 9.948 4.666 1.00 13.33 N ATOM 0 H ARG A 101 -22.912 9.569 5.770 1.00 23.23 H new ATOM 0 HA ARG A 101 -23.693 11.796 4.227 1.00 44.54 H new ATOM 0 HB2 ARG A 101 -25.897 10.894 4.444 1.00 32.54 H new ATOM 0 HB3 ARG A 101 -24.798 9.533 4.342 1.00 32.54 H new ATOM 0 HG2 ARG A 101 -24.903 9.232 6.789 1.00 52.24 H new ATOM 0 HG3 ARG A 101 -25.939 10.638 6.937 1.00 52.24 H new ATOM 0 HD2 ARG A 101 -26.646 8.177 5.291 1.00 73.32 H new ATOM 0 HD3 ARG A 101 -27.155 8.419 6.950 1.00 73.32 H new ATOM 0 HE ARG A 101 -27.985 10.735 5.625 1.00 25.21 H new ATOM 0 HH11 ARG A 101 -28.484 7.257 5.282 1.00 63.33 H new ATOM 0 HH12 ARG A 101 -30.100 7.441 4.591 1.00 63.33 H new ATOM 0 HH21 ARG A 101 -30.060 10.962 4.738 1.00 13.33 H new ATOM 0 HH22 ARG A 101 -30.988 9.529 4.284 1.00 13.33 H new ATOM 1712 N HIS A 102 -24.045 12.071 7.473 1.00 31.31 N ATOM 1713 CA HIS A 102 -24.339 13.007 8.552 1.00 54.53 C ATOM 1714 C HIS A 102 -23.395 14.205 8.504 1.00 31.11 C ATOM 1715 O HIS A 102 -23.816 15.347 8.686 1.00 30.24 O ATOM 1716 CB HIS A 102 -24.228 12.309 9.907 1.00 21.21 C ATOM 1717 CG HIS A 102 -25.490 11.623 10.333 1.00 4.32 C ATOM 1718 ND1 HIS A 102 -25.618 10.965 11.538 1.00 73.32 N ATOM 1719 CD2 HIS A 102 -26.684 11.498 9.708 1.00 24.01 C ATOM 1720 CE1 HIS A 102 -26.836 10.462 11.634 1.00 13.45 C ATOM 1721 NE2 HIS A 102 -27.503 10.772 10.537 1.00 11.42 N ATOM 0 H HIS A 102 -23.657 11.180 7.782 1.00 31.31 H new ATOM 0 HA HIS A 102 -25.360 13.365 8.420 1.00 54.53 H new ATOM 0 HB2 HIS A 102 -23.423 11.576 9.864 1.00 21.21 H new ATOM 0 HB3 HIS A 102 -23.950 13.043 10.663 1.00 21.21 H new ATOM 0 HD2 HIS A 102 -26.944 11.895 8.738 1.00 24.01 H new ATOM 0 HE1 HIS A 102 -27.221 9.894 12.468 1.00 13.45 H new ATOM 0 HE2 HIS A 102 -28.470 10.514 10.338 1.00 11.42 H new ATOM 1729 N MET A 103 -22.117 13.935 8.259 1.00 51.13 N ATOM 1730 CA MET A 103 -21.114 14.991 8.187 1.00 62.01 C ATOM 1731 C MET A 103 -21.462 15.999 7.096 1.00 30.31 C ATOM 1732 O MET A 103 -21.371 17.209 7.304 1.00 20.15 O ATOM 1733 CB MET A 103 -19.731 14.393 7.922 1.00 21.41 C ATOM 1734 CG MET A 103 -19.085 13.785 9.157 1.00 42.52 C ATOM 1735 SD MET A 103 -17.539 14.600 9.604 1.00 73.34 S ATOM 1736 CE MET A 103 -16.362 13.286 9.293 1.00 34.44 C ATOM 0 H MET A 103 -21.752 12.995 8.107 1.00 51.13 H new ATOM 0 HA MET A 103 -21.100 15.510 9.145 1.00 62.01 H new ATOM 0 HB2 MET A 103 -19.817 13.626 7.152 1.00 21.41 H new ATOM 0 HB3 MET A 103 -19.078 15.170 7.526 1.00 21.41 H new ATOM 0 HG2 MET A 103 -19.780 13.848 9.994 1.00 42.52 H new ATOM 0 HG3 MET A 103 -18.895 12.726 8.979 1.00 42.52 H new ATOM 0 HE1 MET A 103 -15.386 13.571 9.687 1.00 34.44 H new ATOM 0 HE2 MET A 103 -16.699 12.372 9.783 1.00 34.44 H new ATOM 0 HE3 MET A 103 -16.284 13.114 8.219 1.00 34.44 H new ATOM 1746 N ILE A 104 -21.860 15.492 5.934 1.00 13.01 N ATOM 1747 CA ILE A 104 -22.223 16.349 4.812 1.00 65.32 C ATOM 1748 C ILE A 104 -23.637 16.895 4.971 1.00 34.42 C ATOM 1749 O ILE A 104 -23.981 17.931 4.404 1.00 55.25 O ATOM 1750 CB ILE A 104 -22.123 15.594 3.473 1.00 53.32 C ATOM 1751 CG1 ILE A 104 -23.057 14.382 3.475 1.00 23.11 C ATOM 1752 CG2 ILE A 104 -20.687 15.164 3.213 1.00 75.34 C ATOM 1753 CD1 ILE A 104 -23.060 13.620 2.168 1.00 33.35 C ATOM 0 H ILE A 104 -21.939 14.493 5.745 1.00 13.01 H new ATOM 0 HA ILE A 104 -21.516 17.178 4.807 1.00 65.32 H new ATOM 0 HB ILE A 104 -22.431 16.264 2.671 1.00 53.32 H new ATOM 0 HG12 ILE A 104 -22.762 13.708 4.279 1.00 23.11 H new ATOM 0 HG13 ILE A 104 -24.071 14.715 3.694 1.00 23.11 H new ATOM 0 HG21 ILE A 104 -20.633 14.632 2.263 1.00 75.34 H new ATOM 0 HG22 ILE A 104 -20.045 16.044 3.173 1.00 75.34 H new ATOM 0 HG23 ILE A 104 -20.353 14.508 4.016 1.00 75.34 H new ATOM 0 HD11 ILE A 104 -23.744 12.774 2.241 1.00 33.35 H new ATOM 0 HD12 ILE A 104 -23.384 14.280 1.363 1.00 33.35 H new ATOM 0 HD13 ILE A 104 -22.054 13.256 1.957 1.00 33.35 H new ATOM 1765 N SER A 105 -24.453 16.190 5.749 1.00 14.40 N ATOM 1766 CA SER A 105 -25.832 16.603 5.982 1.00 14.13 C ATOM 1767 C SER A 105 -25.887 18.016 6.556 1.00 71.14 C ATOM 1768 O SER A 105 -26.775 18.799 6.220 1.00 72.31 O ATOM 1769 CB SER A 105 -26.525 15.627 6.935 1.00 71.31 C ATOM 1770 OG SER A 105 -27.294 14.675 6.220 1.00 43.03 O ATOM 0 H SER A 105 -24.183 15.331 6.228 1.00 14.40 H new ATOM 0 HA SER A 105 -26.353 16.598 5.025 1.00 14.13 H new ATOM 0 HB2 SER A 105 -25.778 15.114 7.542 1.00 71.31 H new ATOM 0 HB3 SER A 105 -27.169 16.178 7.620 1.00 71.31 H new ATOM 0 HG SER A 105 -26.704 13.975 5.869 1.00 43.03 H new ATOM 1776 N GLN A 106 -24.931 18.333 7.422 1.00 2.33 N ATOM 1777 CA GLN A 106 -24.870 19.651 8.043 1.00 11.23 C ATOM 1778 C GLN A 106 -24.776 20.747 6.987 1.00 64.03 C ATOM 1779 O GLN A 106 -25.354 21.822 7.141 1.00 33.22 O ATOM 1780 CB GLN A 106 -23.673 19.737 8.992 1.00 32.40 C ATOM 1781 CG GLN A 106 -23.785 18.817 10.197 1.00 33.31 C ATOM 1782 CD GLN A 106 -23.663 19.561 11.512 1.00 35.54 C ATOM 1783 OE1 GLN A 106 -22.647 19.464 12.201 1.00 14.44 O ATOM 1784 NE2 GLN A 106 -24.701 20.308 11.868 1.00 14.43 N ATOM 0 H GLN A 106 -24.188 17.696 7.710 1.00 2.33 H new ATOM 0 HA GLN A 106 -25.788 19.798 8.613 1.00 11.23 H new ATOM 0 HB2 GLN A 106 -22.765 19.492 8.441 1.00 32.40 H new ATOM 0 HB3 GLN A 106 -23.568 20.765 9.339 1.00 32.40 H new ATOM 0 HG2 GLN A 106 -24.743 18.298 10.165 1.00 33.31 H new ATOM 0 HG3 GLN A 106 -23.007 18.055 10.141 1.00 33.31 H new ATOM 0 HE21 GLN A 106 -25.523 20.359 11.266 1.00 14.43 H new ATOM 0 HE22 GLN A 106 -24.677 20.831 12.743 1.00 14.43 H new ATOM 1793 N GLU A 107 -24.042 20.466 5.914 1.00 11.41 N ATOM 1794 CA GLU A 107 -23.872 21.430 4.833 1.00 64.11 C ATOM 1795 C GLU A 107 -25.156 21.570 4.021 1.00 32.41 C ATOM 1796 O GLU A 107 -25.376 22.581 3.356 1.00 71.22 O ATOM 1797 CB GLU A 107 -22.721 21.005 3.918 1.00 1.01 C ATOM 1798 CG GLU A 107 -21.920 22.172 3.366 1.00 24.10 C ATOM 1799 CD GLU A 107 -21.543 21.984 1.909 1.00 23.44 C ATOM 1800 OE1 GLU A 107 -22.459 21.879 1.068 1.00 61.14 O ATOM 1801 OE2 GLU A 107 -20.330 21.941 1.612 1.00 55.14 O ATOM 0 H GLU A 107 -23.557 19.580 5.771 1.00 11.41 H new ATOM 0 HA GLU A 107 -23.637 22.397 5.277 1.00 64.11 H new ATOM 0 HB2 GLU A 107 -22.052 20.346 4.472 1.00 1.01 H new ATOM 0 HB3 GLU A 107 -23.123 20.426 3.087 1.00 1.01 H new ATOM 0 HG2 GLU A 107 -22.500 23.089 3.472 1.00 24.10 H new ATOM 0 HG3 GLU A 107 -21.014 22.298 3.958 1.00 24.10 H new ATOM 1808 N GLY A 108 -26.002 20.545 4.081 1.00 42.20 N ATOM 1809 CA GLY A 108 -27.253 20.573 3.347 1.00 74.40 C ATOM 1810 C GLY A 108 -28.250 19.553 3.862 1.00 62.22 C ATOM 1811 O GLY A 108 -28.389 18.470 3.293 1.00 73.31 O ATOM 0 H GLY A 108 -25.843 19.697 4.625 1.00 42.20 H new ATOM 0 HA2 GLY A 108 -27.689 21.570 3.416 1.00 74.40 H new ATOM 0 HA3 GLY A 108 -27.056 20.383 2.292 1.00 74.40 H new ATOM 1815 N ILE A 109 -28.943 19.898 4.941 1.00 1.15 N ATOM 1816 CA ILE A 109 -29.931 19.004 5.533 1.00 43.13 C ATOM 1817 C ILE A 109 -31.180 18.913 4.663 1.00 21.20 C ATOM 1818 O ILE A 109 -31.923 17.933 4.725 1.00 51.12 O ATOM 1819 CB ILE A 109 -30.335 19.467 6.945 1.00 22.31 C ATOM 1820 CG1 ILE A 109 -30.996 20.845 6.884 1.00 2.32 C ATOM 1821 CG2 ILE A 109 -29.120 19.496 7.861 1.00 72.43 C ATOM 1822 CD1 ILE A 109 -32.500 20.801 7.037 1.00 51.41 C ATOM 0 H ILE A 109 -28.839 20.790 5.424 1.00 1.15 H new ATOM 0 HA ILE A 109 -29.466 18.021 5.602 1.00 43.13 H new ATOM 0 HB ILE A 109 -31.055 18.757 7.352 1.00 22.31 H new ATOM 0 HG12 ILE A 109 -30.577 21.475 7.669 1.00 2.32 H new ATOM 0 HG13 ILE A 109 -30.749 21.316 5.932 1.00 2.32 H new ATOM 0 HG21 ILE A 109 -29.422 19.825 8.855 1.00 72.43 H new ATOM 0 HG22 ILE A 109 -28.689 18.497 7.925 1.00 72.43 H new ATOM 0 HG23 ILE A 109 -28.378 20.187 7.460 1.00 72.43 H new ATOM 0 HD11 ILE A 109 -32.901 21.813 6.984 1.00 51.41 H new ATOM 0 HD12 ILE A 109 -32.930 20.198 6.237 1.00 51.41 H new ATOM 0 HD13 ILE A 109 -32.755 20.360 8.001 1.00 51.41 H new ATOM 1834 N LYS A 110 -31.405 19.940 3.851 1.00 61.03 N ATOM 1835 CA LYS A 110 -32.562 19.976 2.965 1.00 52.14 C ATOM 1836 C LYS A 110 -32.575 18.766 2.037 1.00 71.53 C ATOM 1837 O LYS A 110 -33.631 18.345 1.566 1.00 33.10 O ATOM 1838 CB LYS A 110 -32.558 21.265 2.139 1.00 33.31 C ATOM 1839 CG LYS A 110 -33.729 22.184 2.441 1.00 1.23 C ATOM 1840 CD LYS A 110 -33.477 23.016 3.688 1.00 34.30 C ATOM 1841 CE LYS A 110 -32.706 24.286 3.364 1.00 12.24 C ATOM 1842 NZ LYS A 110 -33.121 25.423 4.232 1.00 1.03 N ATOM 0 H LYS A 110 -30.801 20.759 3.788 1.00 61.03 H new ATOM 0 HA LYS A 110 -33.461 19.949 3.581 1.00 52.14 H new ATOM 0 HB2 LYS A 110 -31.628 21.802 2.324 1.00 33.31 H new ATOM 0 HB3 LYS A 110 -32.572 21.008 1.080 1.00 33.31 H new ATOM 0 HG2 LYS A 110 -33.904 22.844 1.591 1.00 1.23 H new ATOM 0 HG3 LYS A 110 -34.633 21.591 2.575 1.00 1.23 H new ATOM 0 HD2 LYS A 110 -34.429 23.275 4.152 1.00 34.30 H new ATOM 0 HD3 LYS A 110 -32.919 22.425 4.414 1.00 34.30 H new ATOM 0 HE2 LYS A 110 -31.638 24.105 3.489 1.00 12.24 H new ATOM 0 HE3 LYS A 110 -32.864 24.550 2.319 1.00 12.24 H new ATOM 0 HZ1 LYS A 110 -32.573 26.270 3.980 1.00 1.03 H new ATOM 0 HZ2 LYS A 110 -34.134 25.613 4.095 1.00 1.03 H new ATOM 0 HZ3 LYS A 110 -32.946 25.181 5.228 1.00 1.03 H new ATOM 1856 N GLU A 111 -31.395 18.210 1.780 1.00 70.22 N ATOM 1857 CA GLU A 111 -31.273 17.047 0.909 1.00 65.05 C ATOM 1858 C GLU A 111 -31.734 15.780 1.624 1.00 43.33 C ATOM 1859 O GLU A 111 -32.158 14.814 0.989 1.00 21.11 O ATOM 1860 CB GLU A 111 -29.825 16.883 0.440 1.00 11.12 C ATOM 1861 CG GLU A 111 -29.636 17.122 -1.048 1.00 54.15 C ATOM 1862 CD GLU A 111 -29.522 15.832 -1.837 1.00 23.45 C ATOM 1863 OE1 GLU A 111 -28.603 15.038 -1.545 1.00 70.35 O ATOM 1864 OE2 GLU A 111 -30.352 15.616 -2.745 1.00 3.14 O ATOM 0 H GLU A 111 -30.511 18.546 2.162 1.00 70.22 H new ATOM 0 HA GLU A 111 -31.913 17.207 0.041 1.00 65.05 H new ATOM 0 HB2 GLU A 111 -29.192 17.576 0.994 1.00 11.12 H new ATOM 0 HB3 GLU A 111 -29.485 15.876 0.684 1.00 11.12 H new ATOM 0 HG2 GLU A 111 -30.476 17.703 -1.428 1.00 54.15 H new ATOM 0 HG3 GLU A 111 -28.738 17.720 -1.205 1.00 54.15 H new ATOM 1871 N THR A 112 -31.647 15.792 2.950 1.00 32.14 N ATOM 1872 CA THR A 112 -32.053 14.645 3.753 1.00 52.02 C ATOM 1873 C THR A 112 -33.549 14.383 3.620 1.00 60.22 C ATOM 1874 O THR A 112 -33.971 13.249 3.395 1.00 34.03 O ATOM 1875 CB THR A 112 -31.710 14.850 5.240 1.00 2.33 C ATOM 1876 OG1 THR A 112 -30.309 15.110 5.388 1.00 33.55 O ATOM 1877 CG2 THR A 112 -32.093 13.626 6.058 1.00 14.31 C ATOM 0 H THR A 112 -31.299 16.584 3.491 1.00 32.14 H new ATOM 0 HA THR A 112 -31.501 13.784 3.376 1.00 52.02 H new ATOM 0 HB THR A 112 -32.279 15.704 5.607 1.00 2.33 H new ATOM 0 HG1 THR A 112 -30.099 15.241 6.336 1.00 33.55 H new ATOM 0 HG21 THR A 112 -31.841 13.795 7.105 1.00 14.31 H new ATOM 0 HG22 THR A 112 -33.165 13.448 5.967 1.00 14.31 H new ATOM 0 HG23 THR A 112 -31.548 12.757 5.689 1.00 14.31 H new ATOM 1885 N GLN A 113 -34.345 15.438 3.759 1.00 3.22 N ATOM 1886 CA GLN A 113 -35.794 15.320 3.654 1.00 13.53 C ATOM 1887 C GLN A 113 -36.203 14.858 2.260 1.00 74.13 C ATOM 1888 O GLN A 113 -37.289 14.310 2.071 1.00 63.43 O ATOM 1889 CB GLN A 113 -36.460 16.659 3.976 1.00 15.33 C ATOM 1890 CG GLN A 113 -37.869 16.520 4.531 1.00 51.14 C ATOM 1891 CD GLN A 113 -37.893 16.410 6.042 1.00 11.04 C ATOM 1892 OE1 GLN A 113 -37.123 17.073 6.737 1.00 4.40 O ATOM 1893 NE2 GLN A 113 -38.781 15.569 6.561 1.00 44.30 N ATOM 0 H GLN A 113 -34.011 16.384 3.945 1.00 3.22 H new ATOM 0 HA GLN A 113 -36.126 14.574 4.376 1.00 13.53 H new ATOM 0 HB2 GLN A 113 -35.845 17.197 4.698 1.00 15.33 H new ATOM 0 HB3 GLN A 113 -36.493 17.266 3.071 1.00 15.33 H new ATOM 0 HG2 GLN A 113 -38.463 17.381 4.224 1.00 51.14 H new ATOM 0 HG3 GLN A 113 -38.340 15.637 4.099 1.00 51.14 H new ATOM 0 HE21 GLN A 113 -39.400 15.039 5.948 1.00 44.30 H new ATOM 0 HE22 GLN A 113 -38.843 15.453 7.573 1.00 44.30 H new ATOM 1902 N ALA A 114 -35.327 15.083 1.286 1.00 12.32 N ATOM 1903 CA ALA A 114 -35.597 14.688 -0.091 1.00 3.13 C ATOM 1904 C ALA A 114 -35.633 13.170 -0.229 1.00 31.10 C ATOM 1905 O ALA A 114 -36.269 12.634 -1.137 1.00 21.42 O ATOM 1906 CB ALA A 114 -34.551 15.280 -1.024 1.00 11.10 C ATOM 0 H ALA A 114 -34.424 15.537 1.425 1.00 12.32 H new ATOM 0 HA ALA A 114 -36.577 15.075 -0.369 1.00 3.13 H new ATOM 0 HB1 ALA A 114 -34.765 14.977 -2.049 1.00 11.10 H new ATOM 0 HB2 ALA A 114 -34.575 16.368 -0.954 1.00 11.10 H new ATOM 0 HB3 ALA A 114 -33.563 14.920 -0.738 1.00 11.10 H new ATOM 1912 N LYS A 115 -34.947 12.481 0.677 1.00 45.44 N ATOM 1913 CA LYS A 115 -34.900 11.024 0.657 1.00 51.22 C ATOM 1914 C LYS A 115 -35.386 10.446 1.982 1.00 1.32 C ATOM 1915 O LYS A 115 -34.939 10.860 3.052 1.00 45.52 O ATOM 1916 CB LYS A 115 -33.476 10.543 0.370 1.00 72.44 C ATOM 1917 CG LYS A 115 -33.304 9.039 0.503 1.00 1.55 C ATOM 1918 CD LYS A 115 -32.212 8.519 -0.417 1.00 15.21 C ATOM 1919 CE LYS A 115 -32.539 7.128 -0.938 1.00 53.22 C ATOM 1920 NZ LYS A 115 -32.746 6.155 0.170 1.00 52.02 N ATOM 0 H LYS A 115 -34.415 12.909 1.435 1.00 45.44 H new ATOM 0 HA LYS A 115 -35.561 10.675 -0.136 1.00 51.22 H new ATOM 0 HB2 LYS A 115 -33.196 10.845 -0.639 1.00 72.44 H new ATOM 0 HB3 LYS A 115 -32.788 11.041 1.054 1.00 72.44 H new ATOM 0 HG2 LYS A 115 -33.060 8.790 1.536 1.00 1.55 H new ATOM 0 HG3 LYS A 115 -34.245 8.542 0.269 1.00 1.55 H new ATOM 0 HD2 LYS A 115 -32.086 9.203 -1.256 1.00 15.21 H new ATOM 0 HD3 LYS A 115 -31.264 8.494 0.120 1.00 15.21 H new ATOM 0 HE2 LYS A 115 -33.437 7.173 -1.554 1.00 53.22 H new ATOM 0 HE3 LYS A 115 -31.729 6.781 -1.580 1.00 53.22 H new ATOM 0 HZ1 LYS A 115 -32.781 5.190 -0.217 1.00 52.02 H new ATOM 0 HZ2 LYS A 115 -31.960 6.228 0.847 1.00 52.02 H new ATOM 0 HZ3 LYS A 115 -33.642 6.366 0.655 1.00 52.02 H new ATOM 1934 N ARG A 116 -36.302 9.487 1.904 1.00 54.02 N ATOM 1935 CA ARG A 116 -36.848 8.852 3.098 1.00 51.44 C ATOM 1936 C ARG A 116 -37.365 9.898 4.081 1.00 12.21 C ATOM 1937 O ARG A 116 -38.349 10.587 3.810 1.00 62.13 O ATOM 1938 CB ARG A 116 -35.784 7.985 3.772 1.00 64.02 C ATOM 1939 CG ARG A 116 -36.340 7.062 4.844 1.00 64.12 C ATOM 1940 CD ARG A 116 -35.257 6.164 5.422 1.00 40.00 C ATOM 1941 NE ARG A 116 -34.832 6.604 6.748 1.00 21.43 N ATOM 1942 CZ ARG A 116 -33.832 6.046 7.422 1.00 33.41 C ATOM 1943 NH1 ARG A 116 -33.158 5.032 6.896 1.00 13.13 N ATOM 1944 NH2 ARG A 116 -33.505 6.502 8.624 1.00 22.33 N ATOM 0 H ARG A 116 -36.682 9.132 1.026 1.00 54.02 H new ATOM 0 HA ARG A 116 -37.682 8.220 2.794 1.00 51.44 H new ATOM 0 HB2 ARG A 116 -35.282 7.385 3.013 1.00 64.02 H new ATOM 0 HB3 ARG A 116 -35.029 8.632 4.218 1.00 64.02 H new ATOM 0 HG2 ARG A 116 -36.786 7.656 5.642 1.00 64.12 H new ATOM 0 HG3 ARG A 116 -37.135 6.449 4.421 1.00 64.12 H new ATOM 0 HD2 ARG A 116 -35.628 5.141 5.481 1.00 40.00 H new ATOM 0 HD3 ARG A 116 -34.398 6.154 4.751 1.00 40.00 H new ATOM 0 HE ARG A 116 -35.330 7.382 7.180 1.00 21.43 H new ATOM 0 HH11 ARG A 116 -33.407 4.679 5.972 1.00 13.13 H new ATOM 0 HH12 ARG A 116 -32.391 4.605 7.415 1.00 13.13 H new ATOM 0 HH21 ARG A 116 -34.021 7.282 9.032 1.00 22.33 H new ATOM 0 HH22 ARG A 116 -32.737 6.073 9.141 1.00 22.33 H new TER 1958 ARG A 116