USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 27 ASN :FLIP amide:sc= -0.0387 F(o=-1.7,f=-0.015) USER MOD Set 1.2: A 32 GLN : amide:sc= 0.0241 X(o=-0.015,f=-0.21) USER MOD Set 2.1: A 1 MET N :NH3+ -133:sc= 0.133 (180deg=-0.554) USER MOD Set 2.2: A 2 SER OG : rot 113:sc= -0.109 USER MOD Set 2.3: A 72 GLN : amide:sc= -0.692 K(o=-0.67,f=-7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.59) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.372 F(o=-1.5!,f=-0.37) USER MOD Single : A 6 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.2) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -149:sc= -0.85 (180deg=-2.98!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -70:sc= 0.525 USER MOD Single : A 25 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.056) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -64:sc= 0.418 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -37:sc= 0.661 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -160:sc= -0.576 USER MOD Single : A 51 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.42) USER MOD Single : A 53 CYS SG : rot 164:sc= -0.382 USER MOD Single : A 57 THR OG1 : rot 154:sc= 0.142 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -98:sc= 1.09 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0.118 (180deg=-0.206) USER MOD Single : A 83 MET CE :methyl -163:sc= -1.02 (180deg=-1.46!) USER MOD Single : A 85 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc= -2.99 K(o=-3,f=-4.7!) USER MOD Single : A 87 CYS SG : rot 74:sc= 0.279 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -151:sc= 0.00399 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.3!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.420 1.841 -2.399 1.00 14.13 N ATOM 2 CA MET A 1 0.823 1.117 -1.199 1.00 4.21 C ATOM 3 C MET A 1 2.241 1.498 -0.785 1.00 42.42 C ATOM 4 O MET A 1 3.189 0.750 -1.021 1.00 63.35 O ATOM 5 CB MET A 1 0.737 -0.392 -1.435 1.00 12.05 C ATOM 6 CG MET A 1 -0.564 -0.831 -2.087 1.00 63.53 C ATOM 7 SD MET A 1 -0.384 -1.139 -3.855 1.00 14.20 S ATOM 8 CE MET A 1 -0.224 -2.923 -3.874 1.00 0.41 C ATOM 0 H1 MET A 1 -0.532 2.238 -2.262 1.00 14.13 H new ATOM 0 H2 MET A 1 1.093 2.612 -2.582 1.00 14.13 H new ATOM 0 H3 MET A 1 0.410 1.190 -3.210 1.00 14.13 H new ATOM 0 HA MET A 1 0.142 1.391 -0.394 1.00 4.21 H new ATOM 0 HB2 MET A 1 1.572 -0.701 -2.064 1.00 12.05 H new ATOM 0 HB3 MET A 1 0.848 -0.908 -0.481 1.00 12.05 H new ATOM 0 HG2 MET A 1 -0.923 -1.737 -1.599 1.00 63.53 H new ATOM 0 HG3 MET A 1 -1.322 -0.063 -1.931 1.00 63.53 H new ATOM 0 HE1 MET A 1 -0.105 -3.267 -4.902 1.00 0.41 H new ATOM 0 HE2 MET A 1 0.648 -3.216 -3.290 1.00 0.41 H new ATOM 0 HE3 MET A 1 -1.118 -3.373 -3.442 1.00 0.41 H new ATOM 18 N SER A 2 2.379 2.667 -0.167 1.00 54.22 N ATOM 19 CA SER A 2 3.682 3.149 0.275 1.00 13.35 C ATOM 20 C SER A 2 3.528 4.226 1.345 1.00 12.22 C ATOM 21 O SER A 2 2.433 4.451 1.861 1.00 62.12 O ATOM 22 CB SER A 2 4.474 3.702 -0.911 1.00 4.15 C ATOM 23 OG SER A 2 4.361 2.853 -2.040 1.00 10.43 O ATOM 0 H SER A 2 1.604 3.298 0.039 1.00 54.22 H new ATOM 0 HA SER A 2 4.226 2.308 0.706 1.00 13.35 H new ATOM 0 HB2 SER A 2 4.110 4.698 -1.163 1.00 4.15 H new ATOM 0 HB3 SER A 2 5.523 3.807 -0.635 1.00 4.15 H new ATOM 0 HG SER A 2 3.864 3.314 -2.747 1.00 10.43 H new ATOM 29 N GLN A 3 4.633 4.888 1.673 1.00 53.24 N ATOM 30 CA GLN A 3 4.621 5.941 2.681 1.00 3.13 C ATOM 31 C GLN A 3 5.056 7.274 2.082 1.00 41.34 C ATOM 32 O GLN A 3 6.203 7.435 1.667 1.00 22.42 O ATOM 33 CB GLN A 3 5.539 5.569 3.847 1.00 12.43 C ATOM 34 CG GLN A 3 5.461 6.539 5.016 1.00 74.41 C ATOM 35 CD GLN A 3 4.039 6.961 5.330 1.00 71.41 C ATOM 36 OE1 GLN A 3 3.143 6.125 5.449 1.00 73.52 O ATOM 37 NE2 GLN A 3 3.824 8.264 5.466 1.00 24.05 N ATOM 0 H GLN A 3 5.547 4.714 1.256 1.00 53.24 H new ATOM 0 HA GLN A 3 3.600 6.045 3.049 1.00 3.13 H new ATOM 0 HB2 GLN A 3 5.281 4.569 4.197 1.00 12.43 H new ATOM 0 HB3 GLN A 3 6.568 5.526 3.489 1.00 12.43 H new ATOM 0 HG2 GLN A 3 5.901 6.075 5.898 1.00 74.41 H new ATOM 0 HG3 GLN A 3 6.057 7.423 4.790 1.00 74.41 H new ATOM 0 HE21 GLN A 3 4.596 8.922 5.359 1.00 24.05 H new ATOM 0 HE22 GLN A 3 2.887 8.607 5.677 1.00 24.05 H new ATOM 46 N ASN A 4 4.131 8.228 2.038 1.00 22.15 N ATOM 47 CA ASN A 4 4.419 9.547 1.488 1.00 1.53 C ATOM 48 C ASN A 4 5.241 10.378 2.469 1.00 13.42 C ATOM 49 O ASN A 4 4.753 11.362 3.026 1.00 35.34 O ATOM 50 CB ASN A 4 3.117 10.277 1.150 1.00 24.00 C ATOM 51 CG ASN A 4 2.116 10.231 2.288 1.00 4.12 C ATOM 52 OD1 ASN A 4 1.340 9.156 2.350 1.00 25.22 O flip ATOM 53 ND2 ASN A 4 2.042 11.152 3.102 1.00 31.51 N flip ATOM 0 H ASN A 4 3.176 8.112 2.377 1.00 22.15 H new ATOM 0 HA ASN A 4 5.001 9.414 0.576 1.00 1.53 H new ATOM 0 HB2 ASN A 4 3.339 11.316 0.907 1.00 24.00 H new ATOM 0 HB3 ASN A 4 2.673 9.829 0.261 1.00 24.00 H new ATOM 0 HD21 ASN A 4 2.659 11.960 3.016 1.00 31.51 H new ATOM 0 HD22 ASN A 4 1.364 11.107 3.863 1.00 31.51 H new ATOM 60 N ARG A 5 6.491 9.976 2.675 1.00 53.33 N ATOM 61 CA ARG A 5 7.380 10.683 3.588 1.00 1.14 C ATOM 62 C ARG A 5 8.841 10.375 3.273 1.00 72.35 C ATOM 63 O ARG A 5 9.551 11.205 2.706 1.00 21.21 O ATOM 64 CB ARG A 5 7.068 10.299 5.036 1.00 3.51 C ATOM 65 CG ARG A 5 7.919 11.036 6.058 1.00 12.10 C ATOM 66 CD ARG A 5 7.921 10.321 7.400 1.00 1.11 C ATOM 67 NE ARG A 5 7.096 11.010 8.389 1.00 44.31 N ATOM 68 CZ ARG A 5 7.165 10.776 9.695 1.00 73.13 C ATOM 69 NH1 ARG A 5 8.016 9.875 10.166 1.00 15.13 N ATOM 70 NH2 ARG A 5 6.381 11.444 10.532 1.00 61.13 N ATOM 0 H ARG A 5 6.911 9.164 2.222 1.00 53.33 H new ATOM 0 HA ARG A 5 7.216 11.753 3.459 1.00 1.14 H new ATOM 0 HB2 ARG A 5 6.016 10.501 5.238 1.00 3.51 H new ATOM 0 HB3 ARG A 5 7.216 9.226 5.158 1.00 3.51 H new ATOM 0 HG2 ARG A 5 8.941 11.122 5.688 1.00 12.10 H new ATOM 0 HG3 ARG A 5 7.540 12.050 6.185 1.00 12.10 H new ATOM 0 HD2 ARG A 5 7.555 9.303 7.269 1.00 1.11 H new ATOM 0 HD3 ARG A 5 8.944 10.247 7.770 1.00 1.11 H new ATOM 0 HE ARG A 5 6.431 11.709 8.059 1.00 44.31 H new ATOM 0 HH11 ARG A 5 8.620 9.360 9.525 1.00 15.13 H new ATOM 0 HH12 ARG A 5 8.067 9.697 11.169 1.00 15.13 H new ATOM 0 HH21 ARG A 5 5.725 12.137 10.173 1.00 61.13 H new ATOM 0 HH22 ARG A 5 6.434 11.264 11.535 1.00 61.13 H new ATOM 84 N GLN A 6 9.281 9.177 3.643 1.00 31.35 N ATOM 85 CA GLN A 6 10.657 8.760 3.401 1.00 50.14 C ATOM 86 C GLN A 6 10.704 7.354 2.811 1.00 1.40 C ATOM 87 O GLN A 6 9.793 6.552 3.019 1.00 61.34 O ATOM 88 CB GLN A 6 11.464 8.809 4.699 1.00 34.44 C ATOM 89 CG GLN A 6 11.441 7.504 5.479 1.00 72.32 C ATOM 90 CD GLN A 6 10.034 7.052 5.820 1.00 4.31 C ATOM 91 OE1 GLN A 6 9.196 7.854 6.233 1.00 32.33 O ATOM 92 NE2 GLN A 6 9.768 5.763 5.648 1.00 22.35 N ATOM 0 H GLN A 6 8.705 8.478 4.112 1.00 31.35 H new ATOM 0 HA GLN A 6 11.098 9.451 2.682 1.00 50.14 H new ATOM 0 HB2 GLN A 6 12.497 9.065 4.465 1.00 34.44 H new ATOM 0 HB3 GLN A 6 11.073 9.607 5.330 1.00 34.44 H new ATOM 0 HG2 GLN A 6 11.936 6.728 4.896 1.00 72.32 H new ATOM 0 HG3 GLN A 6 12.013 7.625 6.399 1.00 72.32 H new ATOM 0 HE21 GLN A 6 10.493 5.134 5.303 1.00 22.35 H new ATOM 0 HE22 GLN A 6 8.838 5.401 5.860 1.00 22.35 H new ATOM 101 N LEU A 7 11.771 7.063 2.075 1.00 73.41 N ATOM 102 CA LEU A 7 11.937 5.753 1.454 1.00 31.22 C ATOM 103 C LEU A 7 13.038 4.957 2.148 1.00 42.42 C ATOM 104 O LEU A 7 14.166 5.432 2.290 1.00 11.04 O ATOM 105 CB LEU A 7 12.263 5.909 -0.032 1.00 63.31 C ATOM 106 CG LEU A 7 11.088 5.751 -0.997 1.00 41.05 C ATOM 107 CD1 LEU A 7 10.836 4.281 -1.296 1.00 13.33 C ATOM 108 CD2 LEU A 7 9.838 6.404 -0.427 1.00 34.35 C ATOM 0 H LEU A 7 12.534 7.716 1.894 1.00 73.41 H new ATOM 0 HA LEU A 7 10.999 5.207 1.558 1.00 31.22 H new ATOM 0 HB2 LEU A 7 12.703 6.894 -0.185 1.00 63.31 H new ATOM 0 HB3 LEU A 7 13.025 5.175 -0.295 1.00 63.31 H new ATOM 0 HG LEU A 7 11.341 6.252 -1.932 1.00 41.05 H new ATOM 0 HD11 LEU A 7 9.996 4.189 -1.984 1.00 13.33 H new ATOM 0 HD12 LEU A 7 11.726 3.844 -1.749 1.00 13.33 H new ATOM 0 HD13 LEU A 7 10.605 3.756 -0.369 1.00 13.33 H new ATOM 0 HD21 LEU A 7 9.012 6.282 -1.127 1.00 34.35 H new ATOM 0 HD22 LEU A 7 9.582 5.933 0.522 1.00 34.35 H new ATOM 0 HD23 LEU A 7 10.023 7.466 -0.266 1.00 34.35 H new ATOM 120 N LEU A 8 12.705 3.745 2.575 1.00 21.34 N ATOM 121 CA LEU A 8 13.667 2.881 3.252 1.00 15.23 C ATOM 122 C LEU A 8 14.948 2.749 2.436 1.00 23.42 C ATOM 123 O LEU A 8 16.007 3.229 2.842 1.00 51.55 O ATOM 124 CB LEU A 8 13.058 1.499 3.495 1.00 12.02 C ATOM 125 CG LEU A 8 13.712 0.661 4.594 1.00 64.11 C ATOM 126 CD1 LEU A 8 15.108 0.225 4.173 1.00 15.54 C ATOM 127 CD2 LEU A 8 13.766 1.441 5.899 1.00 0.13 C ATOM 0 H LEU A 8 11.777 3.337 2.465 1.00 21.34 H new ATOM 0 HA LEU A 8 13.915 3.335 4.211 1.00 15.23 H new ATOM 0 HB2 LEU A 8 12.004 1.627 3.742 1.00 12.02 H new ATOM 0 HB3 LEU A 8 13.101 0.936 2.563 1.00 12.02 H new ATOM 0 HG LEU A 8 13.107 -0.232 4.753 1.00 64.11 H new ATOM 0 HD11 LEU A 8 15.558 -0.370 4.967 1.00 15.54 H new ATOM 0 HD12 LEU A 8 15.044 -0.372 3.264 1.00 15.54 H new ATOM 0 HD13 LEU A 8 15.723 1.105 3.986 1.00 15.54 H new ATOM 0 HD21 LEU A 8 14.235 0.829 6.670 1.00 0.13 H new ATOM 0 HD22 LEU A 8 14.348 2.351 5.755 1.00 0.13 H new ATOM 0 HD23 LEU A 8 12.754 1.702 6.209 1.00 0.13 H new ATOM 139 N TYR A 9 14.845 2.096 1.284 1.00 31.31 N ATOM 140 CA TYR A 9 15.996 1.900 0.411 1.00 72.24 C ATOM 141 C TYR A 9 15.592 1.169 -0.867 1.00 4.35 C ATOM 142 O TYR A 9 15.853 -0.022 -1.040 1.00 14.51 O ATOM 143 CB TYR A 9 17.087 1.113 1.139 1.00 71.24 C ATOM 144 CG TYR A 9 18.261 1.962 1.570 1.00 51.52 C ATOM 145 CD1 TYR A 9 18.960 2.734 0.650 1.00 4.13 C ATOM 146 CD2 TYR A 9 18.670 1.994 2.897 1.00 0.24 C ATOM 147 CE1 TYR A 9 20.034 3.511 1.040 1.00 41.12 C ATOM 148 CE2 TYR A 9 19.742 2.769 3.296 1.00 13.52 C ATOM 149 CZ TYR A 9 20.421 3.526 2.364 1.00 73.32 C ATOM 150 OH TYR A 9 21.489 4.300 2.756 1.00 32.50 O ATOM 0 H TYR A 9 13.976 1.693 0.933 1.00 31.31 H new ATOM 0 HA TYR A 9 16.385 2.881 0.139 1.00 72.24 H new ATOM 0 HB2 TYR A 9 16.653 0.635 2.017 1.00 71.24 H new ATOM 0 HB3 TYR A 9 17.445 0.317 0.487 1.00 71.24 H new ATOM 0 HD1 TYR A 9 18.659 2.727 -0.387 1.00 4.13 H new ATOM 0 HD2 TYR A 9 18.141 1.403 3.630 1.00 0.24 H new ATOM 0 HE1 TYR A 9 20.568 4.104 0.312 1.00 41.12 H new ATOM 0 HE2 TYR A 9 20.047 2.782 4.332 1.00 13.52 H new ATOM 0 HH TYR A 9 21.630 4.199 3.721 1.00 32.50 H new ATOM 160 N PRO A 10 14.941 1.900 -1.784 1.00 21.51 N ATOM 161 CA PRO A 10 14.488 1.343 -3.062 1.00 42.54 C ATOM 162 C PRO A 10 15.648 1.023 -3.999 1.00 24.24 C ATOM 163 O PRO A 10 16.416 1.908 -4.376 1.00 64.33 O ATOM 164 CB PRO A 10 13.622 2.461 -3.648 1.00 54.02 C ATOM 165 CG PRO A 10 14.141 3.710 -3.024 1.00 63.01 C ATOM 166 CD PRO A 10 14.597 3.325 -1.644 1.00 62.50 C ATOM 0 HA PRO A 10 13.960 0.399 -2.931 1.00 42.54 H new ATOM 0 HB2 PRO A 10 13.705 2.497 -4.734 1.00 54.02 H new ATOM 0 HB3 PRO A 10 12.568 2.310 -3.413 1.00 54.02 H new ATOM 0 HG2 PRO A 10 14.965 4.124 -3.606 1.00 63.01 H new ATOM 0 HG3 PRO A 10 13.366 4.475 -2.980 1.00 63.01 H new ATOM 0 HD2 PRO A 10 15.455 3.916 -1.325 1.00 62.50 H new ATOM 0 HD3 PRO A 10 13.812 3.478 -0.904 1.00 62.50 H new ATOM 174 N ARG A 11 15.769 -0.248 -4.370 1.00 4.43 N ATOM 175 CA ARG A 11 16.837 -0.685 -5.261 1.00 52.45 C ATOM 176 C ARG A 11 16.735 -2.182 -5.539 1.00 55.41 C ATOM 177 O ARG A 11 17.035 -2.640 -6.641 1.00 1.41 O ATOM 178 CB ARG A 11 18.203 -0.360 -4.654 1.00 52.11 C ATOM 179 CG ARG A 11 18.311 -0.707 -3.178 1.00 63.44 C ATOM 180 CD ARG A 11 19.558 -1.529 -2.890 1.00 1.33 C ATOM 181 NE ARG A 11 19.517 -2.138 -1.563 1.00 71.53 N ATOM 182 CZ ARG A 11 20.588 -2.620 -0.942 1.00 71.34 C ATOM 183 NH1 ARG A 11 21.778 -2.563 -1.525 1.00 34.13 N ATOM 184 NH2 ARG A 11 20.470 -3.160 0.264 1.00 71.31 N ATOM 0 H ARG A 11 15.141 -0.992 -4.067 1.00 4.43 H new ATOM 0 HA ARG A 11 16.730 -0.149 -6.204 1.00 52.45 H new ATOM 0 HB2 ARG A 11 18.973 -0.901 -5.203 1.00 52.11 H new ATOM 0 HB3 ARG A 11 18.406 0.703 -4.785 1.00 52.11 H new ATOM 0 HG2 ARG A 11 18.333 0.209 -2.588 1.00 63.44 H new ATOM 0 HG3 ARG A 11 17.427 -1.264 -2.868 1.00 63.44 H new ATOM 0 HD2 ARG A 11 19.660 -2.309 -3.644 1.00 1.33 H new ATOM 0 HD3 ARG A 11 20.439 -0.892 -2.969 1.00 1.33 H new ATOM 0 HE ARG A 11 18.617 -2.196 -1.087 1.00 71.53 H new ATOM 0 HH11 ARG A 11 21.872 -2.148 -2.452 1.00 34.13 H new ATOM 0 HH12 ARG A 11 22.599 -2.934 -1.046 1.00 34.13 H new ATOM 0 HH21 ARG A 11 19.556 -3.205 0.715 1.00 71.31 H new ATOM 0 HH22 ARG A 11 21.293 -3.530 0.740 1.00 71.31 H new ATOM 198 N GLU A 12 16.309 -2.937 -4.532 1.00 30.43 N ATOM 199 CA GLU A 12 16.169 -4.382 -4.668 1.00 72.40 C ATOM 200 C GLU A 12 15.313 -4.734 -5.881 1.00 71.05 C ATOM 201 O GLU A 12 15.480 -5.793 -6.485 1.00 71.20 O ATOM 202 CB GLU A 12 15.549 -4.979 -3.403 1.00 15.43 C ATOM 203 CG GLU A 12 16.448 -5.980 -2.698 1.00 34.41 C ATOM 204 CD GLU A 12 16.305 -7.384 -3.253 1.00 71.15 C ATOM 205 OE1 GLU A 12 16.200 -7.526 -4.490 1.00 11.24 O ATOM 206 OE2 GLU A 12 16.299 -8.341 -2.451 1.00 73.21 O ATOM 0 H GLU A 12 16.055 -2.573 -3.614 1.00 30.43 H new ATOM 0 HA GLU A 12 17.163 -4.805 -4.811 1.00 72.40 H new ATOM 0 HB2 GLU A 12 15.306 -4.172 -2.712 1.00 15.43 H new ATOM 0 HB3 GLU A 12 14.610 -5.468 -3.664 1.00 15.43 H new ATOM 0 HG2 GLU A 12 17.486 -5.660 -2.792 1.00 34.41 H new ATOM 0 HG3 GLU A 12 16.212 -5.988 -1.634 1.00 34.41 H new ATOM 213 N GLU A 13 14.396 -3.837 -6.232 1.00 21.34 N ATOM 214 CA GLU A 13 13.513 -4.054 -7.372 1.00 2.43 C ATOM 215 C GLU A 13 14.100 -3.438 -8.639 1.00 30.03 C ATOM 216 O GLU A 13 14.013 -4.018 -9.721 1.00 13.32 O ATOM 217 CB GLU A 13 12.131 -3.458 -7.095 1.00 62.10 C ATOM 218 CG GLU A 13 12.153 -1.959 -6.846 1.00 31.30 C ATOM 219 CD GLU A 13 11.822 -1.157 -8.089 1.00 14.50 C ATOM 220 OE1 GLU A 13 11.874 -1.729 -9.197 1.00 71.23 O ATOM 221 OE2 GLU A 13 11.510 0.045 -7.953 1.00 14.14 O ATOM 0 H GLU A 13 14.246 -2.954 -5.744 1.00 21.34 H new ATOM 0 HA GLU A 13 13.414 -5.129 -7.523 1.00 2.43 H new ATOM 0 HB2 GLU A 13 11.478 -3.667 -7.942 1.00 62.10 H new ATOM 0 HB3 GLU A 13 11.697 -3.956 -6.228 1.00 62.10 H new ATOM 0 HG2 GLU A 13 11.439 -1.715 -6.059 1.00 31.30 H new ATOM 0 HG3 GLU A 13 13.139 -1.669 -6.483 1.00 31.30 H new ATOM 228 N MET A 14 14.697 -2.259 -8.495 1.00 62.51 N ATOM 229 CA MET A 14 15.299 -1.565 -9.628 1.00 20.15 C ATOM 230 C MET A 14 16.226 -2.494 -10.404 1.00 65.24 C ATOM 231 O MET A 14 16.259 -2.468 -11.635 1.00 30.32 O ATOM 232 CB MET A 14 16.074 -0.337 -9.147 1.00 2.13 C ATOM 233 CG MET A 14 15.567 0.970 -9.735 1.00 4.14 C ATOM 234 SD MET A 14 15.712 2.351 -8.585 1.00 11.25 S ATOM 235 CE MET A 14 14.462 1.919 -7.377 1.00 75.32 C ATOM 0 H MET A 14 14.777 -1.765 -7.606 1.00 62.51 H new ATOM 0 HA MET A 14 14.498 -1.243 -10.293 1.00 20.15 H new ATOM 0 HB2 MET A 14 16.016 -0.284 -8.060 1.00 2.13 H new ATOM 0 HB3 MET A 14 17.126 -0.458 -9.404 1.00 2.13 H new ATOM 0 HG2 MET A 14 16.127 1.197 -10.642 1.00 4.14 H new ATOM 0 HG3 MET A 14 14.523 0.852 -10.026 1.00 4.14 H new ATOM 0 HE1 MET A 14 14.037 2.828 -6.952 1.00 75.32 H new ATOM 0 HE2 MET A 14 13.674 1.342 -7.860 1.00 75.32 H new ATOM 0 HE3 MET A 14 14.913 1.324 -6.583 1.00 75.32 H new ATOM 245 N VAL A 15 16.980 -3.314 -9.678 1.00 73.12 N ATOM 246 CA VAL A 15 17.907 -4.252 -10.300 1.00 2.25 C ATOM 247 C VAL A 15 17.165 -5.435 -10.912 1.00 2.43 C ATOM 248 O VAL A 15 17.613 -6.018 -11.899 1.00 53.41 O ATOM 249 CB VAL A 15 18.939 -4.777 -9.284 1.00 32.24 C ATOM 250 CG1 VAL A 15 19.692 -3.622 -8.641 1.00 60.33 C ATOM 251 CG2 VAL A 15 18.257 -5.633 -8.227 1.00 21.30 C ATOM 0 H VAL A 15 16.967 -3.347 -8.659 1.00 73.12 H new ATOM 0 HA VAL A 15 18.428 -3.707 -11.088 1.00 2.25 H new ATOM 0 HB VAL A 15 19.660 -5.399 -9.814 1.00 32.24 H new ATOM 0 HG11 VAL A 15 20.416 -4.013 -7.926 1.00 60.33 H new ATOM 0 HG12 VAL A 15 20.213 -3.053 -9.411 1.00 60.33 H new ATOM 0 HG13 VAL A 15 18.987 -2.971 -8.124 1.00 60.33 H new ATOM 0 HG21 VAL A 15 19.001 -5.996 -7.517 1.00 21.30 H new ATOM 0 HG22 VAL A 15 17.513 -5.036 -7.700 1.00 21.30 H new ATOM 0 HG23 VAL A 15 17.768 -6.481 -8.706 1.00 21.30 H new ATOM 261 N SER A 16 16.028 -5.784 -10.319 1.00 12.42 N ATOM 262 CA SER A 16 15.224 -6.900 -10.804 1.00 2.43 C ATOM 263 C SER A 16 14.920 -6.744 -12.291 1.00 23.42 C ATOM 264 O SER A 16 15.116 -7.672 -13.077 1.00 22.53 O ATOM 265 CB SER A 16 13.919 -6.997 -10.012 1.00 74.23 C ATOM 266 OG SER A 16 13.383 -8.308 -10.072 1.00 1.14 O ATOM 0 H SER A 16 15.643 -5.310 -9.502 1.00 12.42 H new ATOM 0 HA SER A 16 15.796 -7.817 -10.662 1.00 2.43 H new ATOM 0 HB2 SER A 16 14.099 -6.721 -8.973 1.00 74.23 H new ATOM 0 HB3 SER A 16 13.195 -6.286 -10.409 1.00 74.23 H new ATOM 0 HG SER A 16 12.550 -8.345 -9.557 1.00 1.14 H new ATOM 272 N LEU A 17 14.440 -5.565 -12.670 1.00 64.20 N ATOM 273 CA LEU A 17 14.109 -5.286 -14.063 1.00 34.40 C ATOM 274 C LEU A 17 15.298 -5.574 -14.974 1.00 75.51 C ATOM 275 O LEU A 17 15.284 -6.534 -15.745 1.00 22.42 O ATOM 276 CB LEU A 17 13.671 -3.829 -14.222 1.00 22.23 C ATOM 277 CG LEU A 17 12.488 -3.386 -13.360 1.00 40.14 C ATOM 278 CD1 LEU A 17 11.585 -4.568 -13.045 1.00 72.21 C ATOM 279 CD2 LEU A 17 12.978 -2.730 -12.078 1.00 2.11 C ATOM 0 H LEU A 17 14.271 -4.787 -12.032 1.00 64.20 H new ATOM 0 HA LEU A 17 13.286 -5.940 -14.353 1.00 34.40 H new ATOM 0 HB2 LEU A 17 14.522 -3.188 -13.993 1.00 22.23 H new ATOM 0 HB3 LEU A 17 13.416 -3.659 -15.268 1.00 22.23 H new ATOM 0 HG LEU A 17 11.909 -2.652 -13.921 1.00 40.14 H new ATOM 0 HD11 LEU A 17 10.749 -4.234 -12.431 1.00 72.21 H new ATOM 0 HD12 LEU A 17 11.206 -4.994 -13.974 1.00 72.21 H new ATOM 0 HD13 LEU A 17 12.152 -5.325 -12.504 1.00 72.21 H new ATOM 0 HD21 LEU A 17 12.122 -2.421 -11.477 1.00 2.11 H new ATOM 0 HD22 LEU A 17 13.581 -3.441 -11.513 1.00 2.11 H new ATOM 0 HD23 LEU A 17 13.583 -1.857 -12.324 1.00 2.11 H new ATOM 291 N VAL A 18 16.326 -4.738 -14.879 1.00 0.31 N ATOM 292 CA VAL A 18 17.525 -4.904 -15.692 1.00 32.11 C ATOM 293 C VAL A 18 18.048 -6.334 -15.613 1.00 5.34 C ATOM 294 O VAL A 18 18.623 -6.849 -16.572 1.00 20.24 O ATOM 295 CB VAL A 18 18.639 -3.936 -15.253 1.00 43.33 C ATOM 296 CG1 VAL A 18 19.151 -4.302 -13.868 1.00 54.13 C ATOM 297 CG2 VAL A 18 19.774 -3.936 -16.267 1.00 12.23 C ATOM 0 H VAL A 18 16.353 -3.938 -14.247 1.00 0.31 H new ATOM 0 HA VAL A 18 17.244 -4.679 -16.721 1.00 32.11 H new ATOM 0 HB VAL A 18 18.224 -2.929 -15.206 1.00 43.33 H new ATOM 0 HG11 VAL A 18 19.938 -3.607 -13.575 1.00 54.13 H new ATOM 0 HG12 VAL A 18 18.332 -4.246 -13.151 1.00 54.13 H new ATOM 0 HG13 VAL A 18 19.551 -5.316 -13.884 1.00 54.13 H new ATOM 0 HG21 VAL A 18 20.553 -3.247 -15.941 1.00 12.23 H new ATOM 0 HG22 VAL A 18 20.189 -4.940 -16.348 1.00 12.23 H new ATOM 0 HG23 VAL A 18 19.394 -3.621 -17.239 1.00 12.23 H new ATOM 307 N ARG A 19 17.846 -6.969 -14.463 1.00 73.42 N ATOM 308 CA ARG A 19 18.298 -8.340 -14.258 1.00 61.11 C ATOM 309 C ARG A 19 17.483 -9.314 -15.105 1.00 5.15 C ATOM 310 O ARG A 19 18.025 -10.265 -15.669 1.00 12.34 O ATOM 311 CB ARG A 19 18.191 -8.719 -12.780 1.00 33.31 C ATOM 312 CG ARG A 19 19.396 -8.300 -11.955 1.00 22.15 C ATOM 313 CD ARG A 19 19.137 -8.468 -10.465 1.00 43.44 C ATOM 314 NE ARG A 19 18.930 -9.866 -10.100 1.00 20.31 N ATOM 315 CZ ARG A 19 18.722 -10.277 -8.854 1.00 35.10 C ATOM 316 NH1 ARG A 19 18.692 -9.401 -7.860 1.00 3.35 N ATOM 317 NH2 ARG A 19 18.541 -11.567 -8.601 1.00 21.11 N ATOM 0 H ARG A 19 17.373 -6.556 -13.659 1.00 73.42 H new ATOM 0 HA ARG A 19 19.341 -8.402 -14.567 1.00 61.11 H new ATOM 0 HB2 ARG A 19 17.296 -8.260 -12.360 1.00 33.31 H new ATOM 0 HB3 ARG A 19 18.063 -9.798 -12.699 1.00 33.31 H new ATOM 0 HG2 ARG A 19 20.262 -8.896 -12.244 1.00 22.15 H new ATOM 0 HG3 ARG A 19 19.640 -7.259 -12.168 1.00 22.15 H new ATOM 0 HD2 ARG A 19 19.981 -8.068 -9.903 1.00 43.44 H new ATOM 0 HD3 ARG A 19 18.260 -7.886 -10.182 1.00 43.44 H new ATOM 0 HE ARG A 19 18.946 -10.566 -10.842 1.00 20.31 H new ATOM 0 HH11 ARG A 19 18.829 -8.408 -8.051 1.00 3.35 H new ATOM 0 HH12 ARG A 19 18.532 -9.719 -6.904 1.00 3.35 H new ATOM 0 HH21 ARG A 19 18.562 -12.244 -9.364 1.00 21.11 H new ATOM 0 HH22 ARG A 19 18.381 -11.882 -7.644 1.00 21.11 H new ATOM 331 N SER A 20 16.179 -9.070 -15.188 1.00 25.03 N ATOM 332 CA SER A 20 15.289 -9.928 -15.961 1.00 43.54 C ATOM 333 C SER A 20 15.716 -9.974 -17.425 1.00 44.14 C ATOM 334 O SER A 20 15.573 -10.998 -18.094 1.00 72.22 O ATOM 335 CB SER A 20 13.847 -9.429 -15.855 1.00 32.32 C ATOM 336 OG SER A 20 13.537 -8.535 -16.909 1.00 40.51 O ATOM 0 H SER A 20 15.716 -8.285 -14.730 1.00 25.03 H new ATOM 0 HA SER A 20 15.349 -10.936 -15.551 1.00 43.54 H new ATOM 0 HB2 SER A 20 13.163 -10.277 -15.881 1.00 32.32 H new ATOM 0 HB3 SER A 20 13.701 -8.931 -14.897 1.00 32.32 H new ATOM 0 HG SER A 20 14.022 -7.694 -16.777 1.00 40.51 H new ATOM 342 N LEU A 21 16.242 -8.857 -17.917 1.00 61.41 N ATOM 343 CA LEU A 21 16.691 -8.769 -19.302 1.00 41.43 C ATOM 344 C LEU A 21 18.209 -8.892 -19.392 1.00 12.22 C ATOM 345 O LEU A 21 18.919 -8.661 -18.413 1.00 20.31 O ATOM 346 CB LEU A 21 16.238 -7.446 -19.922 1.00 50.51 C ATOM 347 CG LEU A 21 16.903 -6.184 -19.371 1.00 12.40 C ATOM 348 CD1 LEU A 21 17.671 -5.463 -20.468 1.00 11.53 C ATOM 349 CD2 LEU A 21 15.864 -5.261 -18.750 1.00 72.21 C ATOM 0 H LEU A 21 16.368 -8.001 -17.378 1.00 61.41 H new ATOM 0 HA LEU A 21 16.245 -9.595 -19.856 1.00 41.43 H new ATOM 0 HB2 LEU A 21 16.421 -7.490 -20.996 1.00 50.51 H new ATOM 0 HB3 LEU A 21 15.161 -7.354 -19.786 1.00 50.51 H new ATOM 0 HG LEU A 21 17.609 -6.478 -18.594 1.00 12.40 H new ATOM 0 HD11 LEU A 21 18.137 -4.568 -20.057 1.00 11.53 H new ATOM 0 HD12 LEU A 21 18.441 -6.123 -20.867 1.00 11.53 H new ATOM 0 HD13 LEU A 21 16.985 -5.181 -21.267 1.00 11.53 H new ATOM 0 HD21 LEU A 21 16.355 -4.368 -18.363 1.00 72.21 H new ATOM 0 HD22 LEU A 21 15.134 -4.974 -19.506 1.00 72.21 H new ATOM 0 HD23 LEU A 21 15.358 -5.779 -17.935 1.00 72.21 H new ATOM 361 N ASP A 22 18.699 -9.254 -20.572 1.00 20.41 N ATOM 362 CA ASP A 22 20.133 -9.405 -20.791 1.00 10.14 C ATOM 363 C ASP A 22 20.425 -9.780 -22.240 1.00 42.12 C ATOM 364 O ASP A 22 20.779 -10.921 -22.537 1.00 43.11 O ATOM 365 CB ASP A 22 20.705 -10.467 -19.851 1.00 21.23 C ATOM 366 CG ASP A 22 22.149 -10.193 -19.478 1.00 70.51 C ATOM 367 OD1 ASP A 22 22.388 -9.278 -18.663 1.00 74.30 O ATOM 368 OD2 ASP A 22 23.040 -10.894 -20.002 1.00 44.03 O ATOM 0 H ASP A 22 18.124 -9.448 -21.392 1.00 20.41 H new ATOM 0 HA ASP A 22 20.611 -8.448 -20.579 1.00 10.14 H new ATOM 0 HB2 ASP A 22 20.101 -10.510 -18.945 1.00 21.23 H new ATOM 0 HB3 ASP A 22 20.635 -11.445 -20.327 1.00 21.23 H new ATOM 373 N ARG A 23 20.273 -8.812 -23.138 1.00 64.25 N ATOM 374 CA ARG A 23 20.519 -9.042 -24.557 1.00 53.52 C ATOM 375 C ARG A 23 20.441 -7.734 -25.341 1.00 22.35 C ATOM 376 O ARG A 23 19.479 -7.470 -26.062 1.00 31.24 O ATOM 377 CB ARG A 23 19.507 -10.044 -25.116 1.00 22.00 C ATOM 378 CG ARG A 23 20.019 -10.819 -26.319 1.00 21.30 C ATOM 379 CD ARG A 23 20.123 -12.307 -26.020 1.00 54.32 C ATOM 380 NE ARG A 23 20.907 -12.570 -24.817 1.00 12.04 N ATOM 381 CZ ARG A 23 21.316 -13.781 -24.457 1.00 24.23 C ATOM 382 NH1 ARG A 23 21.018 -14.835 -25.204 1.00 40.12 N ATOM 383 NH2 ARG A 23 22.027 -13.940 -23.347 1.00 75.32 N ATOM 0 H ARG A 23 19.981 -7.862 -22.909 1.00 64.25 H new ATOM 0 HA ARG A 23 21.523 -9.452 -24.664 1.00 53.52 H new ATOM 0 HB2 ARG A 23 19.234 -10.748 -24.330 1.00 22.00 H new ATOM 0 HB3 ARG A 23 18.598 -9.512 -25.397 1.00 22.00 H new ATOM 0 HG2 ARG A 23 19.350 -10.663 -27.165 1.00 21.30 H new ATOM 0 HG3 ARG A 23 20.997 -10.436 -26.611 1.00 21.30 H new ATOM 0 HD2 ARG A 23 19.123 -12.723 -25.899 1.00 54.32 H new ATOM 0 HD3 ARG A 23 20.580 -12.816 -26.869 1.00 54.32 H new ATOM 0 HE ARG A 23 21.154 -11.780 -24.220 1.00 12.04 H new ATOM 0 HH11 ARG A 23 20.473 -14.717 -26.058 1.00 40.12 H new ATOM 0 HH12 ARG A 23 21.334 -15.764 -24.925 1.00 40.12 H new ATOM 0 HH21 ARG A 23 22.259 -13.132 -22.770 1.00 75.32 H new ATOM 0 HH22 ARG A 23 22.341 -14.871 -23.071 1.00 75.32 H new ATOM 397 N PRO A 24 21.478 -6.896 -25.196 1.00 50.55 N ATOM 398 CA PRO A 24 21.551 -5.602 -25.882 1.00 70.15 C ATOM 399 C PRO A 24 21.756 -5.754 -27.386 1.00 24.02 C ATOM 400 O PRO A 24 22.829 -6.154 -27.837 1.00 23.02 O ATOM 401 CB PRO A 24 22.767 -4.929 -25.242 1.00 4.02 C ATOM 402 CG PRO A 24 23.613 -6.056 -24.758 1.00 61.13 C ATOM 403 CD PRO A 24 22.659 -7.146 -24.353 1.00 40.53 C ATOM 0 HA PRO A 24 20.628 -5.033 -25.777 1.00 70.15 H new ATOM 0 HB2 PRO A 24 23.304 -4.313 -25.963 1.00 4.02 H new ATOM 0 HB3 PRO A 24 22.471 -4.275 -24.422 1.00 4.02 H new ATOM 0 HG2 PRO A 24 24.289 -6.400 -25.540 1.00 61.13 H new ATOM 0 HG3 PRO A 24 24.232 -5.746 -23.916 1.00 61.13 H new ATOM 0 HD2 PRO A 24 23.079 -8.135 -24.533 1.00 40.53 H new ATOM 0 HD3 PRO A 24 22.414 -7.092 -23.292 1.00 40.53 H new ATOM 411 N GLN A 25 20.722 -5.432 -28.155 1.00 52.23 N ATOM 412 CA GLN A 25 20.790 -5.533 -29.608 1.00 63.23 C ATOM 413 C GLN A 25 21.714 -4.466 -30.186 1.00 2.25 C ATOM 414 O GLN A 25 22.604 -4.767 -30.980 1.00 40.54 O ATOM 415 CB GLN A 25 19.393 -5.398 -30.216 1.00 62.45 C ATOM 416 CG GLN A 25 18.578 -6.680 -30.159 1.00 23.33 C ATOM 417 CD GLN A 25 17.411 -6.587 -29.196 1.00 53.33 C ATOM 418 OE1 GLN A 25 16.250 -6.580 -29.609 1.00 24.35 O ATOM 419 NE2 GLN A 25 17.712 -6.514 -27.905 1.00 51.30 N ATOM 0 H GLN A 25 19.827 -5.099 -27.797 1.00 52.23 H new ATOM 0 HA GLN A 25 21.195 -6.513 -29.860 1.00 63.23 H new ATOM 0 HB2 GLN A 25 18.852 -4.610 -29.692 1.00 62.45 H new ATOM 0 HB3 GLN A 25 19.487 -5.083 -31.255 1.00 62.45 H new ATOM 0 HG2 GLN A 25 18.204 -6.913 -31.156 1.00 23.33 H new ATOM 0 HG3 GLN A 25 19.225 -7.505 -29.861 1.00 23.33 H new ATOM 0 HE21 GLN A 25 18.688 -6.523 -27.607 1.00 51.30 H new ATOM 0 HE22 GLN A 25 16.968 -6.449 -27.211 1.00 51.30 H new ATOM 428 N GLU A 26 21.496 -3.219 -29.780 1.00 52.20 N ATOM 429 CA GLU A 26 22.309 -2.107 -30.259 1.00 31.12 C ATOM 430 C GLU A 26 23.666 -2.085 -29.561 1.00 31.40 C ATOM 431 O GLU A 26 24.707 -1.981 -30.208 1.00 72.13 O ATOM 432 CB GLU A 26 21.584 -0.780 -30.029 1.00 13.51 C ATOM 433 CG GLU A 26 21.067 -0.139 -31.306 1.00 41.02 C ATOM 434 CD GLU A 26 21.960 0.983 -31.799 1.00 25.12 C ATOM 435 OE1 GLU A 26 22.092 1.995 -31.079 1.00 25.11 O ATOM 436 OE2 GLU A 26 22.527 0.849 -32.903 1.00 41.34 O ATOM 0 H GLU A 26 20.764 -2.954 -29.121 1.00 52.20 H new ATOM 0 HA GLU A 26 22.472 -2.244 -31.328 1.00 31.12 H new ATOM 0 HB2 GLU A 26 20.747 -0.946 -29.351 1.00 13.51 H new ATOM 0 HB3 GLU A 26 22.263 -0.086 -29.533 1.00 13.51 H new ATOM 0 HG2 GLU A 26 20.984 -0.900 -32.082 1.00 41.02 H new ATOM 0 HG3 GLU A 26 20.064 0.250 -31.132 1.00 41.02 H new ATOM 443 N ASN A 27 23.645 -2.184 -28.236 1.00 32.33 N ATOM 444 CA ASN A 27 24.873 -2.175 -27.449 1.00 13.10 C ATOM 445 C ASN A 27 25.716 -0.945 -27.771 1.00 13.31 C ATOM 446 O ASN A 27 26.853 -1.060 -28.225 1.00 22.11 O ATOM 447 CB ASN A 27 25.683 -3.446 -27.714 1.00 54.41 C ATOM 448 CG ASN A 27 26.770 -3.664 -26.680 1.00 20.50 C ATOM 449 OD1 ASN A 27 26.387 -4.184 -25.519 1.00 73.31 O flip ATOM 450 ND2 ASN A 27 27.941 -3.370 -26.922 1.00 54.34 N flip ATOM 0 H ASN A 27 22.791 -2.271 -27.685 1.00 32.33 H new ATOM 0 HA ASN A 27 24.599 -2.140 -26.395 1.00 13.10 H new ATOM 0 HB2 ASN A 27 25.013 -4.306 -27.720 1.00 54.41 H new ATOM 0 HB3 ASN A 27 26.134 -3.386 -28.704 1.00 54.41 H new ATOM 0 HD21 ASN A 27 28.190 -2.973 -27.828 1.00 54.34 H new ATOM 0 HD22 ASN A 27 28.662 -3.524 -26.217 1.00 54.34 H new ATOM 457 N GLY A 28 25.149 0.234 -27.532 1.00 34.04 N ATOM 458 CA GLY A 28 25.862 1.469 -27.801 1.00 72.33 C ATOM 459 C GLY A 28 25.170 2.680 -27.208 1.00 33.45 C ATOM 460 O GLY A 28 25.825 3.612 -26.740 1.00 23.54 O ATOM 0 H GLY A 28 24.208 0.356 -27.157 1.00 34.04 H new ATOM 0 HA2 GLY A 28 26.872 1.397 -27.397 1.00 72.33 H new ATOM 0 HA3 GLY A 28 25.959 1.601 -28.879 1.00 72.33 H new ATOM 464 N LEU A 29 23.841 2.668 -27.227 1.00 45.40 N ATOM 465 CA LEU A 29 23.059 3.775 -26.688 1.00 1.33 C ATOM 466 C LEU A 29 21.597 3.376 -26.515 1.00 62.52 C ATOM 467 O LEU A 29 20.952 3.750 -25.536 1.00 33.11 O ATOM 468 CB LEU A 29 23.161 4.994 -27.607 1.00 25.40 C ATOM 469 CG LEU A 29 22.766 6.335 -26.990 1.00 15.43 C ATOM 470 CD1 LEU A 29 23.414 7.484 -27.747 1.00 74.45 C ATOM 471 CD2 LEU A 29 21.252 6.490 -26.976 1.00 13.11 C ATOM 0 H LEU A 29 23.283 1.904 -27.610 1.00 45.40 H new ATOM 0 HA LEU A 29 23.465 4.031 -25.709 1.00 1.33 H new ATOM 0 HB2 LEU A 29 24.188 5.070 -27.964 1.00 25.40 H new ATOM 0 HB3 LEU A 29 22.532 4.819 -28.480 1.00 25.40 H new ATOM 0 HG LEU A 29 23.124 6.358 -25.961 1.00 15.43 H new ATOM 0 HD11 LEU A 29 23.121 8.430 -27.293 1.00 74.45 H new ATOM 0 HD12 LEU A 29 24.498 7.382 -27.705 1.00 74.45 H new ATOM 0 HD13 LEU A 29 23.088 7.464 -28.787 1.00 74.45 H new ATOM 0 HD21 LEU A 29 20.989 7.451 -26.533 1.00 13.11 H new ATOM 0 HD22 LEU A 29 20.872 6.445 -27.997 1.00 13.11 H new ATOM 0 HD23 LEU A 29 20.809 5.686 -26.388 1.00 13.11 H new ATOM 483 N PHE A 30 21.081 2.611 -27.472 1.00 43.10 N ATOM 484 CA PHE A 30 19.696 2.159 -27.426 1.00 13.04 C ATOM 485 C PHE A 30 19.502 1.110 -26.334 1.00 42.05 C ATOM 486 O PHE A 30 18.375 0.730 -26.016 1.00 44.23 O ATOM 487 CB PHE A 30 19.279 1.584 -28.781 1.00 12.30 C ATOM 488 CG PHE A 30 18.550 2.568 -29.651 1.00 10.43 C ATOM 489 CD1 PHE A 30 19.198 3.689 -30.144 1.00 53.35 C ATOM 490 CD2 PHE A 30 17.217 2.373 -29.974 1.00 71.31 C ATOM 491 CE1 PHE A 30 18.530 4.597 -30.945 1.00 60.44 C ATOM 492 CE2 PHE A 30 16.544 3.276 -30.775 1.00 3.32 C ATOM 493 CZ PHE A 30 17.201 4.390 -31.260 1.00 42.21 C ATOM 0 H PHE A 30 21.602 2.291 -28.289 1.00 43.10 H new ATOM 0 HA PHE A 30 19.067 3.019 -27.195 1.00 13.04 H new ATOM 0 HB2 PHE A 30 20.167 1.234 -29.307 1.00 12.30 H new ATOM 0 HB3 PHE A 30 18.642 0.714 -28.617 1.00 12.30 H new ATOM 0 HD1 PHE A 30 20.237 3.856 -29.900 1.00 53.35 H new ATOM 0 HD2 PHE A 30 16.698 1.505 -29.595 1.00 71.31 H new ATOM 0 HE1 PHE A 30 19.047 5.467 -31.324 1.00 60.44 H new ATOM 0 HE2 PHE A 30 15.506 3.111 -31.021 1.00 3.32 H new ATOM 0 HZ PHE A 30 16.677 5.098 -31.884 1.00 42.21 H new ATOM 503 N SER A 31 20.610 0.645 -25.765 1.00 50.54 N ATOM 504 CA SER A 31 20.564 -0.363 -24.713 1.00 53.10 C ATOM 505 C SER A 31 21.724 -0.185 -23.739 1.00 1.24 C ATOM 506 O SER A 31 22.177 -1.144 -23.115 1.00 34.22 O ATOM 507 CB SER A 31 20.604 -1.767 -25.320 1.00 53.53 C ATOM 508 OG SER A 31 19.459 -2.010 -26.119 1.00 14.51 O ATOM 0 H SER A 31 21.550 0.951 -26.015 1.00 50.54 H new ATOM 0 HA SER A 31 19.630 -0.238 -24.165 1.00 53.10 H new ATOM 0 HB2 SER A 31 21.504 -1.880 -25.925 1.00 53.53 H new ATOM 0 HB3 SER A 31 20.660 -2.509 -24.524 1.00 53.53 H new ATOM 0 HG SER A 31 19.509 -2.913 -26.497 1.00 14.51 H new ATOM 514 N GLN A 32 22.200 1.050 -23.614 1.00 51.03 N ATOM 515 CA GLN A 32 23.308 1.354 -22.717 1.00 11.43 C ATOM 516 C GLN A 32 23.408 2.855 -22.465 1.00 45.35 C ATOM 517 O GLN A 32 22.618 3.637 -22.994 1.00 13.35 O ATOM 518 CB GLN A 32 24.623 0.834 -23.300 1.00 75.23 C ATOM 519 CG GLN A 32 25.272 -0.254 -22.461 1.00 22.42 C ATOM 520 CD GLN A 32 25.620 -1.487 -23.271 1.00 71.44 C ATOM 521 OE1 GLN A 32 26.766 -1.938 -23.276 1.00 73.44 O ATOM 522 NE2 GLN A 32 24.630 -2.040 -23.962 1.00 61.45 N ATOM 0 H GLN A 32 21.836 1.856 -24.123 1.00 51.03 H new ATOM 0 HA GLN A 32 23.119 0.856 -21.766 1.00 11.43 H new ATOM 0 HB2 GLN A 32 24.439 0.447 -24.302 1.00 75.23 H new ATOM 0 HB3 GLN A 32 25.320 1.666 -23.403 1.00 75.23 H new ATOM 0 HG2 GLN A 32 26.177 0.140 -21.999 1.00 22.42 H new ATOM 0 HG3 GLN A 32 24.598 -0.534 -21.652 1.00 22.42 H new ATOM 0 HE21 GLN A 32 23.695 -1.633 -23.929 1.00 61.45 H new ATOM 0 HE22 GLN A 32 24.804 -2.872 -24.526 1.00 61.45 H new ATOM 531 N ASP A 33 24.385 3.250 -21.656 1.00 41.43 N ATOM 532 CA ASP A 33 24.590 4.658 -21.335 1.00 54.24 C ATOM 533 C ASP A 33 25.725 5.246 -22.168 1.00 30.13 C ATOM 534 O ASP A 33 26.891 4.898 -21.980 1.00 11.43 O ATOM 535 CB ASP A 33 24.894 4.825 -19.846 1.00 34.23 C ATOM 536 CG ASP A 33 23.672 4.599 -18.977 1.00 20.13 C ATOM 537 OD1 ASP A 33 23.134 3.472 -18.991 1.00 42.14 O ATOM 538 OD2 ASP A 33 23.253 5.549 -18.283 1.00 3.14 O ATOM 0 H ASP A 33 25.047 2.615 -21.210 1.00 41.43 H new ATOM 0 HA ASP A 33 23.673 5.196 -21.573 1.00 54.24 H new ATOM 0 HB2 ASP A 33 25.677 4.124 -19.557 1.00 34.23 H new ATOM 0 HB3 ASP A 33 25.283 5.828 -19.668 1.00 34.23 H new ATOM 543 N VAL A 34 25.376 6.138 -23.090 1.00 31.25 N ATOM 544 CA VAL A 34 26.365 6.774 -23.951 1.00 63.00 C ATOM 545 C VAL A 34 27.455 7.453 -23.129 1.00 32.34 C ATOM 546 O VAL A 34 28.597 7.576 -23.573 1.00 2.14 O ATOM 547 CB VAL A 34 25.714 7.816 -24.879 1.00 52.14 C ATOM 548 CG1 VAL A 34 25.038 8.908 -24.065 1.00 14.40 C ATOM 549 CG2 VAL A 34 26.749 8.408 -25.825 1.00 35.43 C ATOM 0 H VAL A 34 24.415 6.436 -23.259 1.00 31.25 H new ATOM 0 HA VAL A 34 26.810 5.985 -24.558 1.00 63.00 H new ATOM 0 HB VAL A 34 24.951 7.317 -25.477 1.00 52.14 H new ATOM 0 HG11 VAL A 34 24.584 9.635 -24.738 1.00 14.40 H new ATOM 0 HG12 VAL A 34 24.267 8.467 -23.434 1.00 14.40 H new ATOM 0 HG13 VAL A 34 25.778 9.406 -23.439 1.00 14.40 H new ATOM 0 HG21 VAL A 34 26.271 9.142 -26.473 1.00 35.43 H new ATOM 0 HG22 VAL A 34 27.536 8.892 -25.247 1.00 35.43 H new ATOM 0 HG23 VAL A 34 27.182 7.614 -26.433 1.00 35.43 H new ATOM 559 N LEU A 35 27.095 7.891 -21.927 1.00 51.35 N ATOM 560 CA LEU A 35 28.042 8.558 -21.041 1.00 23.12 C ATOM 561 C LEU A 35 29.165 7.610 -20.631 1.00 72.34 C ATOM 562 O LEU A 35 30.209 8.041 -20.140 1.00 15.50 O ATOM 563 CB LEU A 35 27.324 9.083 -19.797 1.00 11.32 C ATOM 564 CG LEU A 35 27.766 10.459 -19.297 1.00 53.34 C ATOM 565 CD1 LEU A 35 29.212 10.418 -18.829 1.00 31.03 C ATOM 566 CD2 LEU A 35 27.586 11.505 -20.388 1.00 2.41 C ATOM 0 H LEU A 35 26.154 7.796 -21.544 1.00 51.35 H new ATOM 0 HA LEU A 35 28.479 9.397 -21.583 1.00 23.12 H new ATOM 0 HB2 LEU A 35 26.255 9.121 -20.008 1.00 11.32 H new ATOM 0 HB3 LEU A 35 27.464 8.363 -18.990 1.00 11.32 H new ATOM 0 HG LEU A 35 27.139 10.735 -18.449 1.00 53.34 H new ATOM 0 HD11 LEU A 35 29.509 11.406 -18.477 1.00 31.03 H new ATOM 0 HD12 LEU A 35 29.311 9.698 -18.016 1.00 31.03 H new ATOM 0 HD13 LEU A 35 29.854 10.120 -19.658 1.00 31.03 H new ATOM 0 HD21 LEU A 35 27.905 12.478 -20.015 1.00 2.41 H new ATOM 0 HD22 LEU A 35 28.188 11.233 -21.255 1.00 2.41 H new ATOM 0 HD23 LEU A 35 26.536 11.553 -20.676 1.00 2.41 H new ATOM 578 N LEU A 36 28.945 6.316 -20.839 1.00 15.22 N ATOM 579 CA LEU A 36 29.939 5.306 -20.493 1.00 75.25 C ATOM 580 C LEU A 36 30.696 4.841 -21.733 1.00 41.22 C ATOM 581 O LEU A 36 31.221 3.729 -21.770 1.00 22.10 O ATOM 582 CB LEU A 36 29.266 4.111 -19.815 1.00 52.13 C ATOM 583 CG LEU A 36 28.898 4.295 -18.343 1.00 35.03 C ATOM 584 CD1 LEU A 36 30.129 4.650 -17.525 1.00 25.03 C ATOM 585 CD2 LEU A 36 27.827 5.366 -18.190 1.00 61.13 C ATOM 0 H LEU A 36 28.087 5.942 -21.245 1.00 15.22 H new ATOM 0 HA LEU A 36 30.652 5.755 -19.801 1.00 75.25 H new ATOM 0 HB2 LEU A 36 28.359 3.868 -20.368 1.00 52.13 H new ATOM 0 HB3 LEU A 36 29.930 3.250 -19.898 1.00 52.13 H new ATOM 0 HG LEU A 36 28.498 3.353 -17.969 1.00 35.03 H new ATOM 0 HD11 LEU A 36 29.847 4.777 -16.480 1.00 25.03 H new ATOM 0 HD12 LEU A 36 30.864 3.850 -17.608 1.00 25.03 H new ATOM 0 HD13 LEU A 36 30.560 5.578 -17.900 1.00 25.03 H new ATOM 0 HD21 LEU A 36 27.578 5.483 -17.135 1.00 61.13 H new ATOM 0 HD22 LEU A 36 28.200 6.312 -18.582 1.00 61.13 H new ATOM 0 HD23 LEU A 36 26.935 5.071 -18.743 1.00 61.13 H new ATOM 597 N GLN A 37 30.750 5.702 -22.745 1.00 35.32 N ATOM 598 CA GLN A 37 31.444 5.379 -23.985 1.00 45.24 C ATOM 599 C GLN A 37 32.804 6.069 -24.043 1.00 74.21 C ATOM 600 O GLN A 37 33.843 5.428 -23.886 1.00 62.02 O ATOM 601 CB GLN A 37 30.598 5.792 -25.191 1.00 3.01 C ATOM 602 CG GLN A 37 29.200 5.195 -25.186 1.00 64.32 C ATOM 603 CD GLN A 37 29.203 3.701 -25.448 1.00 50.51 C ATOM 604 OE1 GLN A 37 30.216 3.133 -25.857 1.00 72.01 O ATOM 605 NE2 GLN A 37 28.066 3.057 -25.213 1.00 50.02 N ATOM 0 H GLN A 37 30.322 6.628 -22.730 1.00 35.32 H new ATOM 0 HA GLN A 37 31.602 4.301 -24.013 1.00 45.24 H new ATOM 0 HB2 GLN A 37 30.520 6.879 -25.214 1.00 3.01 H new ATOM 0 HB3 GLN A 37 31.110 5.489 -26.104 1.00 3.01 H new ATOM 0 HG2 GLN A 37 28.729 5.390 -24.223 1.00 64.32 H new ATOM 0 HG3 GLN A 37 28.594 5.692 -25.944 1.00 64.32 H new ATOM 0 HE21 GLN A 37 27.251 3.568 -24.874 1.00 50.02 H new ATOM 0 HE22 GLN A 37 28.008 2.051 -25.371 1.00 50.02 H new ATOM 614 N TYR A 38 32.788 7.378 -24.269 1.00 60.44 N ATOM 615 CA TYR A 38 34.020 8.154 -24.351 1.00 34.13 C ATOM 616 C TYR A 38 33.738 9.642 -24.169 1.00 43.44 C ATOM 617 O TYR A 38 32.633 10.126 -24.416 1.00 45.34 O ATOM 618 CB TYR A 38 34.711 7.914 -25.694 1.00 74.10 C ATOM 619 CG TYR A 38 35.647 6.727 -25.690 1.00 33.41 C ATOM 620 CD1 TYR A 38 36.612 6.581 -24.701 1.00 72.11 C ATOM 621 CD2 TYR A 38 35.565 5.750 -26.675 1.00 22.44 C ATOM 622 CE1 TYR A 38 37.469 5.498 -24.694 1.00 45.10 C ATOM 623 CE2 TYR A 38 36.418 4.663 -26.675 1.00 31.54 C ATOM 624 CZ TYR A 38 37.369 4.542 -25.683 1.00 35.44 C ATOM 625 OH TYR A 38 38.220 3.461 -25.678 1.00 61.33 O ATOM 0 H TYR A 38 31.936 7.924 -24.399 1.00 60.44 H new ATOM 0 HA TYR A 38 34.680 7.827 -23.548 1.00 34.13 H new ATOM 0 HB2 TYR A 38 33.952 7.765 -26.462 1.00 74.10 H new ATOM 0 HB3 TYR A 38 35.272 8.807 -25.969 1.00 74.10 H new ATOM 0 HD1 TYR A 38 36.693 7.327 -23.924 1.00 72.11 H new ATOM 0 HD2 TYR A 38 34.822 5.842 -27.453 1.00 22.44 H new ATOM 0 HE1 TYR A 38 38.214 5.400 -23.918 1.00 45.10 H new ATOM 0 HE2 TYR A 38 36.341 3.912 -27.447 1.00 31.54 H new ATOM 0 HH TYR A 38 38.017 2.881 -26.442 1.00 61.33 H new ATOM 635 N PRO A 39 34.762 10.387 -23.728 1.00 4.44 N ATOM 636 CA PRO A 39 34.652 11.832 -23.504 1.00 71.11 C ATOM 637 C PRO A 39 34.519 12.612 -24.808 1.00 21.23 C ATOM 638 O PRO A 39 35.478 13.227 -25.273 1.00 54.11 O ATOM 639 CB PRO A 39 35.966 12.184 -22.802 1.00 32.31 C ATOM 640 CG PRO A 39 36.923 11.128 -23.238 1.00 14.32 C ATOM 641 CD PRO A 39 36.107 9.877 -23.413 1.00 24.01 C ATOM 0 HA PRO A 39 33.763 12.088 -22.927 1.00 71.11 H new ATOM 0 HB2 PRO A 39 36.314 13.176 -23.088 1.00 32.31 H new ATOM 0 HB3 PRO A 39 35.847 12.188 -21.718 1.00 32.31 H new ATOM 0 HG2 PRO A 39 37.414 11.407 -24.170 1.00 14.32 H new ATOM 0 HG3 PRO A 39 37.708 10.982 -22.496 1.00 14.32 H new ATOM 0 HD2 PRO A 39 36.498 9.252 -24.216 1.00 24.01 H new ATOM 0 HD3 PRO A 39 36.104 9.269 -22.508 1.00 24.01 H new ATOM 649 N GLU A 40 33.325 12.581 -25.391 1.00 41.32 N ATOM 650 CA GLU A 40 33.069 13.286 -26.642 1.00 34.11 C ATOM 651 C GLU A 40 31.578 13.293 -26.966 1.00 54.05 C ATOM 652 O GLU A 40 31.047 14.280 -27.479 1.00 33.45 O ATOM 653 CB GLU A 40 33.848 12.637 -27.788 1.00 1.14 C ATOM 654 CG GLU A 40 33.778 11.119 -27.789 1.00 55.31 C ATOM 655 CD GLU A 40 35.149 10.472 -27.799 1.00 35.43 C ATOM 656 OE1 GLU A 40 36.021 10.920 -27.026 1.00 43.22 O ATOM 657 OE2 GLU A 40 35.349 9.517 -28.578 1.00 72.12 O ATOM 0 H GLU A 40 32.521 12.076 -25.018 1.00 41.32 H new ATOM 0 HA GLU A 40 33.403 14.317 -26.524 1.00 34.11 H new ATOM 0 HB2 GLU A 40 33.461 13.011 -28.736 1.00 1.14 H new ATOM 0 HB3 GLU A 40 34.892 12.944 -27.726 1.00 1.14 H new ATOM 0 HG2 GLU A 40 33.229 10.784 -26.909 1.00 55.31 H new ATOM 0 HG3 GLU A 40 33.217 10.785 -28.662 1.00 55.31 H new ATOM 664 N LEU A 41 30.908 12.186 -26.666 1.00 14.12 N ATOM 665 CA LEU A 41 29.477 12.063 -26.925 1.00 43.15 C ATOM 666 C LEU A 41 28.672 12.267 -25.646 1.00 41.22 C ATOM 667 O LEU A 41 27.461 12.053 -25.623 1.00 35.21 O ATOM 668 CB LEU A 41 29.164 10.691 -27.526 1.00 0.35 C ATOM 669 CG LEU A 41 29.791 9.490 -26.817 1.00 61.14 C ATOM 670 CD1 LEU A 41 31.222 9.280 -27.288 1.00 71.11 C ATOM 671 CD2 LEU A 41 29.746 9.678 -25.308 1.00 24.51 C ATOM 0 H LEU A 41 31.332 11.360 -26.243 1.00 14.12 H new ATOM 0 HA LEU A 41 29.194 12.838 -27.637 1.00 43.15 H new ATOM 0 HB2 LEU A 41 28.082 10.558 -27.535 1.00 0.35 H new ATOM 0 HB3 LEU A 41 29.494 10.688 -28.565 1.00 0.35 H new ATOM 0 HG LEU A 41 29.213 8.601 -27.069 1.00 61.14 H new ATOM 0 HD11 LEU A 41 31.652 8.421 -26.773 1.00 71.11 H new ATOM 0 HD12 LEU A 41 31.228 9.099 -28.363 1.00 71.11 H new ATOM 0 HD13 LEU A 41 31.812 10.169 -27.066 1.00 71.11 H new ATOM 0 HD21 LEU A 41 30.196 8.814 -24.820 1.00 24.51 H new ATOM 0 HD22 LEU A 41 30.299 10.577 -25.037 1.00 24.51 H new ATOM 0 HD23 LEU A 41 28.710 9.778 -24.985 1.00 24.51 H new ATOM 683 N ALA A 42 29.354 12.685 -24.584 1.00 74.34 N ATOM 684 CA ALA A 42 28.701 12.922 -23.303 1.00 1.12 C ATOM 685 C ALA A 42 27.562 13.927 -23.444 1.00 65.42 C ATOM 686 O ALA A 42 26.602 13.902 -22.675 1.00 63.31 O ATOM 687 CB ALA A 42 29.714 13.410 -22.277 1.00 53.14 C ATOM 0 H ALA A 42 30.358 12.866 -24.586 1.00 74.34 H new ATOM 0 HA ALA A 42 28.277 11.978 -22.959 1.00 1.12 H new ATOM 0 HB1 ALA A 42 29.213 13.583 -21.325 1.00 53.14 H new ATOM 0 HB2 ALA A 42 30.491 12.657 -22.146 1.00 53.14 H new ATOM 0 HB3 ALA A 42 30.164 14.340 -22.624 1.00 53.14 H new ATOM 693 N GLU A 43 27.677 14.809 -24.431 1.00 44.54 N ATOM 694 CA GLU A 43 26.657 15.823 -24.671 1.00 41.32 C ATOM 695 C GLU A 43 25.362 15.185 -25.165 1.00 14.44 C ATOM 696 O GLU A 43 24.267 15.651 -24.846 1.00 45.15 O ATOM 697 CB GLU A 43 27.155 16.848 -25.692 1.00 41.25 C ATOM 698 CG GLU A 43 28.316 17.691 -25.192 1.00 52.42 C ATOM 699 CD GLU A 43 28.913 18.565 -26.278 1.00 52.13 C ATOM 700 OE1 GLU A 43 29.650 18.030 -27.132 1.00 41.44 O ATOM 701 OE2 GLU A 43 28.642 19.784 -26.274 1.00 10.43 O ATOM 0 H GLU A 43 28.466 14.842 -25.077 1.00 44.54 H new ATOM 0 HA GLU A 43 26.456 16.330 -23.727 1.00 41.32 H new ATOM 0 HB2 GLU A 43 27.460 16.326 -26.599 1.00 41.25 H new ATOM 0 HB3 GLU A 43 26.330 17.506 -25.965 1.00 41.25 H new ATOM 0 HG2 GLU A 43 27.975 18.321 -24.370 1.00 52.42 H new ATOM 0 HG3 GLU A 43 29.090 17.036 -24.792 1.00 52.42 H new ATOM 708 N SER A 44 25.494 14.117 -25.944 1.00 44.12 N ATOM 709 CA SER A 44 24.335 13.417 -26.486 1.00 5.22 C ATOM 710 C SER A 44 23.450 12.884 -25.364 1.00 33.01 C ATOM 711 O SER A 44 22.236 12.753 -25.525 1.00 0.32 O ATOM 712 CB SER A 44 24.784 12.266 -27.388 1.00 21.22 C ATOM 713 OG SER A 44 25.112 11.118 -26.624 1.00 73.23 O ATOM 0 H SER A 44 26.392 13.717 -26.214 1.00 44.12 H new ATOM 0 HA SER A 44 23.755 14.127 -27.077 1.00 5.22 H new ATOM 0 HB2 SER A 44 23.990 12.022 -28.094 1.00 21.22 H new ATOM 0 HB3 SER A 44 25.649 12.576 -27.975 1.00 21.22 H new ATOM 0 HG SER A 44 25.887 11.313 -26.056 1.00 73.23 H new ATOM 719 N TYR A 45 24.066 12.578 -24.228 1.00 34.53 N ATOM 720 CA TYR A 45 23.335 12.056 -23.079 1.00 31.03 C ATOM 721 C TYR A 45 22.150 12.953 -22.733 1.00 44.34 C ATOM 722 O TYR A 45 21.025 12.482 -22.570 1.00 75.53 O ATOM 723 CB TYR A 45 24.264 11.932 -21.870 1.00 63.22 C ATOM 724 CG TYR A 45 23.544 11.595 -20.584 1.00 71.44 C ATOM 725 CD1 TYR A 45 23.014 12.595 -19.779 1.00 75.21 C ATOM 726 CD2 TYR A 45 23.393 10.275 -20.175 1.00 53.24 C ATOM 727 CE1 TYR A 45 22.355 12.291 -18.603 1.00 43.22 C ATOM 728 CE2 TYR A 45 22.735 9.962 -19.002 1.00 14.23 C ATOM 729 CZ TYR A 45 22.218 10.974 -18.219 1.00 22.41 C ATOM 730 OH TYR A 45 21.562 10.667 -17.049 1.00 31.11 O ATOM 0 H TYR A 45 25.069 12.682 -24.078 1.00 34.53 H new ATOM 0 HA TYR A 45 22.956 11.068 -23.341 1.00 31.03 H new ATOM 0 HB2 TYR A 45 25.008 11.162 -22.072 1.00 63.22 H new ATOM 0 HB3 TYR A 45 24.803 12.870 -21.739 1.00 63.22 H new ATOM 0 HD1 TYR A 45 23.119 13.628 -20.077 1.00 75.21 H new ATOM 0 HD2 TYR A 45 23.797 9.481 -20.785 1.00 53.24 H new ATOM 0 HE1 TYR A 45 21.949 13.081 -17.988 1.00 43.22 H new ATOM 0 HE2 TYR A 45 22.626 8.931 -18.699 1.00 14.23 H new ATOM 0 HH TYR A 45 21.552 9.695 -16.925 1.00 31.11 H new ATOM 740 N THR A 46 22.412 14.252 -22.624 1.00 4.13 N ATOM 741 CA THR A 46 21.370 15.217 -22.297 1.00 41.25 C ATOM 742 C THR A 46 20.421 15.420 -23.473 1.00 44.33 C ATOM 743 O THR A 46 19.264 15.800 -23.293 1.00 21.34 O ATOM 744 CB THR A 46 21.970 16.578 -21.896 1.00 21.34 C ATOM 745 OG1 THR A 46 22.666 17.154 -23.007 1.00 34.11 O ATOM 746 CG2 THR A 46 22.923 16.423 -20.720 1.00 32.13 C ATOM 0 H THR A 46 23.337 14.660 -22.758 1.00 4.13 H new ATOM 0 HA THR A 46 20.816 14.809 -21.452 1.00 41.25 H new ATOM 0 HB THR A 46 21.154 17.236 -21.599 1.00 21.34 H new ATOM 0 HG1 THR A 46 23.120 16.447 -23.511 1.00 34.11 H new ATOM 0 HG21 THR A 46 23.335 17.397 -20.454 1.00 32.13 H new ATOM 0 HG22 THR A 46 22.384 16.012 -19.867 1.00 32.13 H new ATOM 0 HG23 THR A 46 23.734 15.749 -20.995 1.00 32.13 H new ATOM 754 N LYS A 47 20.918 15.165 -24.679 1.00 31.00 N ATOM 755 CA LYS A 47 20.114 15.318 -25.886 1.00 22.31 C ATOM 756 C LYS A 47 19.018 14.259 -25.947 1.00 61.33 C ATOM 757 O LYS A 47 17.882 14.548 -26.323 1.00 32.05 O ATOM 758 CB LYS A 47 21.001 15.222 -27.129 1.00 70.45 C ATOM 759 CG LYS A 47 20.224 15.249 -28.434 1.00 50.53 C ATOM 760 CD LYS A 47 19.354 16.491 -28.539 1.00 31.23 C ATOM 761 CE LYS A 47 20.193 17.759 -28.572 1.00 24.32 C ATOM 762 NZ LYS A 47 20.006 18.515 -29.841 1.00 12.22 N ATOM 0 H LYS A 47 21.874 14.851 -24.846 1.00 31.00 H new ATOM 0 HA LYS A 47 19.644 16.301 -25.858 1.00 22.31 H new ATOM 0 HB2 LYS A 47 21.712 16.048 -27.122 1.00 70.45 H new ATOM 0 HB3 LYS A 47 21.582 14.301 -27.081 1.00 70.45 H new ATOM 0 HG2 LYS A 47 20.919 15.218 -29.273 1.00 50.53 H new ATOM 0 HG3 LYS A 47 19.599 14.359 -28.505 1.00 50.53 H new ATOM 0 HD2 LYS A 47 18.744 16.434 -29.440 1.00 31.23 H new ATOM 0 HD3 LYS A 47 18.669 16.529 -27.692 1.00 31.23 H new ATOM 0 HE2 LYS A 47 19.924 18.394 -27.728 1.00 24.32 H new ATOM 0 HE3 LYS A 47 21.246 17.501 -28.455 1.00 24.32 H new ATOM 0 HZ1 LYS A 47 20.595 19.372 -29.824 1.00 12.22 H new ATOM 0 HZ2 LYS A 47 20.286 17.918 -30.645 1.00 12.22 H new ATOM 0 HZ3 LYS A 47 19.006 18.783 -29.941 1.00 12.22 H new ATOM 776 N VAL A 48 19.366 13.031 -25.575 1.00 30.01 N ATOM 777 CA VAL A 48 18.411 11.929 -25.585 1.00 52.42 C ATOM 778 C VAL A 48 17.837 11.686 -24.194 1.00 3.42 C ATOM 779 O VAL A 48 17.427 10.572 -23.866 1.00 43.21 O ATOM 780 CB VAL A 48 19.059 10.629 -26.096 1.00 24.15 C ATOM 781 CG1 VAL A 48 19.996 10.051 -25.045 1.00 40.33 C ATOM 782 CG2 VAL A 48 17.991 9.618 -26.483 1.00 21.30 C ATOM 0 H VAL A 48 20.303 12.774 -25.263 1.00 30.01 H new ATOM 0 HA VAL A 48 17.606 12.215 -26.262 1.00 52.42 H new ATOM 0 HB VAL A 48 19.646 10.861 -26.985 1.00 24.15 H new ATOM 0 HG11 VAL A 48 20.445 9.133 -25.423 1.00 40.33 H new ATOM 0 HG12 VAL A 48 20.781 10.773 -24.821 1.00 40.33 H new ATOM 0 HG13 VAL A 48 19.434 9.833 -24.137 1.00 40.33 H new ATOM 0 HG21 VAL A 48 18.467 8.705 -26.842 1.00 21.30 H new ATOM 0 HG22 VAL A 48 17.375 9.388 -25.613 1.00 21.30 H new ATOM 0 HG23 VAL A 48 17.364 10.035 -27.272 1.00 21.30 H new ATOM 792 N CYS A 49 17.811 12.735 -23.379 1.00 50.44 N ATOM 793 CA CYS A 49 17.287 12.636 -22.022 1.00 4.44 C ATOM 794 C CYS A 49 18.129 11.680 -21.183 1.00 32.11 C ATOM 795 O CYS A 49 18.916 10.888 -21.702 1.00 0.31 O ATOM 796 CB CYS A 49 15.832 12.167 -22.047 1.00 22.32 C ATOM 797 SG CYS A 49 14.624 13.494 -21.828 1.00 1.03 S ATOM 0 H CYS A 49 18.147 13.664 -23.635 1.00 50.44 H new ATOM 0 HA CYS A 49 17.333 13.626 -21.568 1.00 4.44 H new ATOM 0 HB2 CYS A 49 15.639 11.668 -22.996 1.00 22.32 H new ATOM 0 HB3 CYS A 49 15.687 11.425 -21.262 1.00 22.32 H new ATOM 0 HG CYS A 49 13.489 12.989 -21.446 1.00 1.03 H new ATOM 803 N PRO A 50 17.962 11.754 -19.854 1.00 54.01 N ATOM 804 CA PRO A 50 18.698 10.903 -18.915 1.00 31.21 C ATOM 805 C PRO A 50 18.258 9.444 -18.987 1.00 44.53 C ATOM 806 O PRO A 50 17.500 8.972 -18.142 1.00 12.52 O ATOM 807 CB PRO A 50 18.350 11.499 -17.549 1.00 22.25 C ATOM 808 CG PRO A 50 17.034 12.167 -17.751 1.00 2.34 C ATOM 809 CD PRO A 50 17.040 12.674 -19.166 1.00 44.23 C ATOM 0 HA PRO A 50 19.767 10.889 -19.130 1.00 31.21 H new ATOM 0 HB2 PRO A 50 18.288 10.725 -16.784 1.00 22.25 H new ATOM 0 HB3 PRO A 50 19.109 12.210 -17.222 1.00 22.25 H new ATOM 0 HG2 PRO A 50 16.213 11.468 -17.590 1.00 2.34 H new ATOM 0 HG3 PRO A 50 16.899 12.985 -17.044 1.00 2.34 H new ATOM 0 HD2 PRO A 50 16.043 12.648 -19.606 1.00 44.23 H new ATOM 0 HD3 PRO A 50 17.386 13.706 -19.222 1.00 44.23 H new ATOM 817 N ASN A 51 18.741 8.736 -20.003 1.00 32.41 N ATOM 818 CA ASN A 51 18.397 7.330 -20.185 1.00 41.03 C ATOM 819 C ASN A 51 16.908 7.167 -20.474 1.00 11.21 C ATOM 820 O ASN A 51 16.072 7.321 -19.583 1.00 42.31 O ATOM 821 CB ASN A 51 18.778 6.525 -18.941 1.00 61.34 C ATOM 822 CG ASN A 51 20.178 6.844 -18.453 1.00 32.54 C ATOM 823 OD1 ASN A 51 20.402 7.029 -17.256 1.00 43.35 O ATOM 824 ND2 ASN A 51 21.127 6.909 -19.379 1.00 23.53 N ATOM 0 H ASN A 51 19.371 9.112 -20.712 1.00 32.41 H new ATOM 0 HA ASN A 51 18.958 6.952 -21.040 1.00 41.03 H new ATOM 0 HB2 ASN A 51 18.063 6.731 -18.145 1.00 61.34 H new ATOM 0 HB3 ASN A 51 18.708 5.461 -19.165 1.00 61.34 H new ATOM 0 HD21 ASN A 51 22.088 7.119 -19.110 1.00 23.53 H new ATOM 0 HD22 ASN A 51 20.895 6.748 -20.359 1.00 23.53 H new ATOM 831 N ARG A 52 16.584 6.854 -21.724 1.00 52.32 N ATOM 832 CA ARG A 52 15.196 6.671 -22.131 1.00 33.04 C ATOM 833 C ARG A 52 15.015 5.346 -22.866 1.00 12.22 C ATOM 834 O ARG A 52 14.203 5.242 -23.786 1.00 65.45 O ATOM 835 CB ARG A 52 14.747 7.828 -23.025 1.00 13.22 C ATOM 836 CG ARG A 52 14.492 9.121 -22.266 1.00 61.44 C ATOM 837 CD ARG A 52 13.617 10.073 -23.066 1.00 74.42 C ATOM 838 NE ARG A 52 14.165 10.335 -24.394 1.00 54.22 N ATOM 839 CZ ARG A 52 13.845 11.398 -25.124 1.00 74.22 C ATOM 840 NH1 ARG A 52 12.985 12.293 -24.657 1.00 72.43 N ATOM 841 NH2 ARG A 52 14.386 11.567 -26.324 1.00 14.41 N ATOM 0 H ARG A 52 17.264 6.722 -22.473 1.00 52.32 H new ATOM 0 HA ARG A 52 14.579 6.655 -21.232 1.00 33.04 H new ATOM 0 HB2 ARG A 52 15.509 8.006 -23.784 1.00 13.22 H new ATOM 0 HB3 ARG A 52 13.836 7.539 -23.549 1.00 13.22 H new ATOM 0 HG2 ARG A 52 14.011 8.897 -21.314 1.00 61.44 H new ATOM 0 HG3 ARG A 52 15.442 9.604 -22.037 1.00 61.44 H new ATOM 0 HD2 ARG A 52 12.617 9.651 -23.163 1.00 74.42 H new ATOM 0 HD3 ARG A 52 13.515 11.013 -22.524 1.00 74.42 H new ATOM 0 HE ARG A 52 14.830 9.666 -24.782 1.00 54.22 H new ATOM 0 HH11 ARG A 52 12.567 12.166 -23.735 1.00 72.43 H new ATOM 0 HH12 ARG A 52 12.741 13.108 -25.220 1.00 72.43 H new ATOM 0 HH21 ARG A 52 15.048 10.881 -26.686 1.00 14.41 H new ATOM 0 HH22 ARG A 52 14.140 12.383 -26.884 1.00 14.41 H new ATOM 855 N CYS A 53 15.776 4.338 -22.454 1.00 13.43 N ATOM 856 CA CYS A 53 15.701 3.020 -23.074 1.00 15.31 C ATOM 857 C CYS A 53 14.970 2.034 -22.168 1.00 50.14 C ATOM 858 O CYS A 53 13.799 1.724 -22.388 1.00 50.14 O ATOM 859 CB CYS A 53 17.104 2.500 -23.387 1.00 3.30 C ATOM 860 SG CYS A 53 17.997 3.480 -24.616 1.00 44.42 S ATOM 0 H CYS A 53 16.452 4.408 -21.693 1.00 13.43 H new ATOM 0 HA CYS A 53 15.141 3.115 -24.004 1.00 15.31 H new ATOM 0 HB2 CYS A 53 17.685 2.476 -22.465 1.00 3.30 H new ATOM 0 HB3 CYS A 53 17.028 1.472 -23.743 1.00 3.30 H new ATOM 0 HG CYS A 53 19.262 3.184 -24.571 1.00 44.42 H new ATOM 866 N ASP A 54 15.669 1.544 -21.151 1.00 62.40 N ATOM 867 CA ASP A 54 15.088 0.591 -20.212 1.00 15.51 C ATOM 868 C ASP A 54 16.113 0.163 -19.167 1.00 63.34 C ATOM 869 O ASP A 54 16.066 0.603 -18.018 1.00 43.31 O ATOM 870 CB ASP A 54 14.558 -0.634 -20.958 1.00 32.22 C ATOM 871 CG ASP A 54 13.047 -0.630 -21.078 1.00 75.23 C ATOM 872 OD1 ASP A 54 12.368 -0.609 -20.030 1.00 43.12 O ATOM 873 OD2 ASP A 54 12.542 -0.649 -22.221 1.00 20.22 O ATOM 0 H ASP A 54 16.639 1.791 -20.955 1.00 62.40 H new ATOM 0 HA ASP A 54 14.259 1.081 -19.701 1.00 15.51 H new ATOM 0 HB2 ASP A 54 14.999 -0.668 -21.954 1.00 32.22 H new ATOM 0 HB3 ASP A 54 14.876 -1.538 -20.438 1.00 32.22 H new ATOM 878 N LEU A 55 17.039 -0.700 -19.574 1.00 15.44 N ATOM 879 CA LEU A 55 18.076 -1.189 -18.673 1.00 20.44 C ATOM 880 C LEU A 55 19.022 -0.063 -18.267 1.00 74.25 C ATOM 881 O LEU A 55 19.474 0.000 -17.125 1.00 14.23 O ATOM 882 CB LEU A 55 18.865 -2.319 -19.337 1.00 50.25 C ATOM 883 CG LEU A 55 19.383 -2.036 -20.748 1.00 51.41 C ATOM 884 CD1 LEU A 55 20.806 -2.547 -20.907 1.00 5.54 C ATOM 885 CD2 LEU A 55 18.469 -2.667 -21.788 1.00 51.44 C ATOM 0 H LEU A 55 17.092 -1.075 -20.521 1.00 15.44 H new ATOM 0 HA LEU A 55 17.591 -1.572 -17.775 1.00 20.44 H new ATOM 0 HB2 LEU A 55 19.716 -2.563 -18.701 1.00 50.25 H new ATOM 0 HB3 LEU A 55 18.231 -3.205 -19.375 1.00 50.25 H new ATOM 0 HG LEU A 55 19.387 -0.957 -20.903 1.00 51.41 H new ATOM 0 HD11 LEU A 55 21.157 -2.337 -21.917 1.00 5.54 H new ATOM 0 HD12 LEU A 55 21.454 -2.049 -20.186 1.00 5.54 H new ATOM 0 HD13 LEU A 55 20.828 -3.623 -20.732 1.00 5.54 H new ATOM 0 HD21 LEU A 55 18.853 -2.455 -22.786 1.00 51.44 H new ATOM 0 HD22 LEU A 55 18.433 -3.745 -21.634 1.00 51.44 H new ATOM 0 HD23 LEU A 55 17.466 -2.253 -21.690 1.00 51.44 H new ATOM 897 N ALA A 56 19.315 0.825 -19.212 1.00 33.12 N ATOM 898 CA ALA A 56 20.203 1.951 -18.952 1.00 53.21 C ATOM 899 C ALA A 56 19.558 2.949 -17.996 1.00 3.20 C ATOM 900 O ALA A 56 20.248 3.637 -17.242 1.00 55.43 O ATOM 901 CB ALA A 56 20.582 2.636 -20.257 1.00 14.33 C ATOM 0 H ALA A 56 18.950 0.786 -20.164 1.00 33.12 H new ATOM 0 HA ALA A 56 21.107 1.568 -18.480 1.00 53.21 H new ATOM 0 HB1 ALA A 56 21.245 3.475 -20.048 1.00 14.33 H new ATOM 0 HB2 ALA A 56 21.091 1.924 -20.907 1.00 14.33 H new ATOM 0 HB3 ALA A 56 19.682 3.000 -20.752 1.00 14.33 H new ATOM 907 N THR A 57 18.231 3.024 -18.032 1.00 4.13 N ATOM 908 CA THR A 57 17.494 3.939 -17.170 1.00 1.41 C ATOM 909 C THR A 57 17.297 3.347 -15.780 1.00 35.45 C ATOM 910 O THR A 57 17.367 4.056 -14.776 1.00 61.23 O ATOM 911 CB THR A 57 16.118 4.288 -17.767 1.00 72.24 C ATOM 912 OG1 THR A 57 16.275 4.788 -19.100 1.00 75.41 O ATOM 913 CG2 THR A 57 15.403 5.324 -16.913 1.00 22.44 C ATOM 0 H THR A 57 17.645 2.462 -18.649 1.00 4.13 H new ATOM 0 HA THR A 57 18.089 4.849 -17.093 1.00 1.41 H new ATOM 0 HB THR A 57 15.516 3.380 -17.788 1.00 72.24 H new ATOM 0 HG1 THR A 57 15.455 4.622 -19.610 1.00 75.41 H new ATOM 0 HG21 THR A 57 14.434 5.554 -17.355 1.00 22.44 H new ATOM 0 HG22 THR A 57 15.259 4.929 -15.907 1.00 22.44 H new ATOM 0 HG23 THR A 57 16.004 6.232 -16.864 1.00 22.44 H new ATOM 921 N ALA A 58 17.049 2.042 -15.727 1.00 63.23 N ATOM 922 CA ALA A 58 16.844 1.353 -14.459 1.00 3.40 C ATOM 923 C ALA A 58 18.169 1.119 -13.741 1.00 1.30 C ATOM 924 O ALA A 58 18.249 1.219 -12.517 1.00 35.30 O ATOM 925 CB ALA A 58 16.124 0.032 -14.686 1.00 2.41 C ATOM 0 H ALA A 58 16.985 1.441 -16.548 1.00 63.23 H new ATOM 0 HA ALA A 58 16.224 1.987 -13.825 1.00 3.40 H new ATOM 0 HB1 ALA A 58 15.978 -0.472 -13.730 1.00 2.41 H new ATOM 0 HB2 ALA A 58 15.155 0.220 -15.149 1.00 2.41 H new ATOM 0 HB3 ALA A 58 16.722 -0.601 -15.342 1.00 2.41 H new ATOM 931 N ALA A 59 19.207 0.807 -14.510 1.00 52.44 N ATOM 932 CA ALA A 59 20.528 0.561 -13.947 1.00 64.54 C ATOM 933 C ALA A 59 21.130 1.840 -13.376 1.00 54.21 C ATOM 934 O ALA A 59 21.718 1.832 -12.294 1.00 54.15 O ATOM 935 CB ALA A 59 21.450 -0.032 -15.003 1.00 73.04 C ATOM 0 H ALA A 59 19.158 0.719 -15.525 1.00 52.44 H new ATOM 0 HA ALA A 59 20.419 -0.154 -13.131 1.00 64.54 H new ATOM 0 HB1 ALA A 59 22.434 -0.211 -14.568 1.00 73.04 H new ATOM 0 HB2 ALA A 59 21.035 -0.974 -15.361 1.00 73.04 H new ATOM 0 HB3 ALA A 59 21.543 0.664 -15.837 1.00 73.04 H new ATOM 941 N ASP A 60 20.979 2.938 -14.109 1.00 71.43 N ATOM 942 CA ASP A 60 21.507 4.226 -13.675 1.00 72.20 C ATOM 943 C ASP A 60 20.796 4.707 -12.414 1.00 24.03 C ATOM 944 O ASP A 60 21.427 5.235 -11.498 1.00 12.05 O ATOM 945 CB ASP A 60 21.356 5.264 -14.788 1.00 0.22 C ATOM 946 CG ASP A 60 22.000 6.590 -14.433 1.00 51.25 C ATOM 947 OD1 ASP A 60 23.003 6.582 -13.690 1.00 50.30 O ATOM 948 OD2 ASP A 60 21.500 7.636 -14.899 1.00 1.01 O ATOM 0 H ASP A 60 20.495 2.962 -15.007 1.00 71.43 H new ATOM 0 HA ASP A 60 22.566 4.100 -13.448 1.00 72.20 H new ATOM 0 HB2 ASP A 60 21.805 4.879 -15.704 1.00 0.22 H new ATOM 0 HB3 ASP A 60 20.297 5.421 -14.994 1.00 0.22 H new ATOM 953 N ARG A 61 19.481 4.522 -12.374 1.00 70.34 N ATOM 954 CA ARG A 61 18.685 4.939 -11.227 1.00 34.03 C ATOM 955 C ARG A 61 19.228 4.330 -9.937 1.00 44.25 C ATOM 956 O ARG A 61 19.413 5.027 -8.940 1.00 40.01 O ATOM 957 CB ARG A 61 17.223 4.532 -11.418 1.00 75.14 C ATOM 958 CG ARG A 61 16.269 5.712 -11.512 1.00 60.22 C ATOM 959 CD ARG A 61 16.535 6.545 -12.756 1.00 11.41 C ATOM 960 NE ARG A 61 17.353 7.719 -12.464 1.00 4.04 N ATOM 961 CZ ARG A 61 16.868 8.845 -11.954 1.00 54.51 C ATOM 962 NH1 ARG A 61 15.574 8.950 -11.681 1.00 63.05 N ATOM 963 NH2 ARG A 61 17.676 9.870 -11.716 1.00 2.23 N ATOM 0 H ARG A 61 18.944 4.086 -13.123 1.00 70.34 H new ATOM 0 HA ARG A 61 18.746 6.025 -11.151 1.00 34.03 H new ATOM 0 HB2 ARG A 61 17.137 3.933 -12.325 1.00 75.14 H new ATOM 0 HB3 ARG A 61 16.920 3.896 -10.586 1.00 75.14 H new ATOM 0 HG2 ARG A 61 15.241 5.350 -11.528 1.00 60.22 H new ATOM 0 HG3 ARG A 61 16.373 6.337 -10.625 1.00 60.22 H new ATOM 0 HD2 ARG A 61 17.037 5.930 -13.503 1.00 11.41 H new ATOM 0 HD3 ARG A 61 15.587 6.863 -13.189 1.00 11.41 H new ATOM 0 HE ARG A 61 18.352 7.671 -12.663 1.00 4.04 H new ATOM 0 HH11 ARG A 61 14.949 8.165 -11.863 1.00 63.05 H new ATOM 0 HH12 ARG A 61 15.204 9.816 -11.289 1.00 63.05 H new ATOM 0 HH21 ARG A 61 18.671 9.794 -11.925 1.00 2.23 H new ATOM 0 HH22 ARG A 61 17.302 10.734 -11.324 1.00 2.23 H new ATOM 977 N ALA A 62 19.482 3.026 -9.966 1.00 42.01 N ATOM 978 CA ALA A 62 20.006 2.324 -8.801 1.00 31.00 C ATOM 979 C ALA A 62 21.465 2.690 -8.550 1.00 32.34 C ATOM 980 O ALA A 62 21.843 3.040 -7.432 1.00 51.22 O ATOM 981 CB ALA A 62 19.860 0.820 -8.981 1.00 43.24 C ATOM 0 H ALA A 62 19.333 2.434 -10.784 1.00 42.01 H new ATOM 0 HA ALA A 62 19.427 2.632 -7.931 1.00 31.00 H new ATOM 0 HB1 ALA A 62 20.255 0.308 -8.103 1.00 43.24 H new ATOM 0 HB2 ALA A 62 18.806 0.569 -9.103 1.00 43.24 H new ATOM 0 HB3 ALA A 62 20.413 0.504 -9.865 1.00 43.24 H new ATOM 987 N ALA A 63 22.280 2.605 -9.596 1.00 20.23 N ATOM 988 CA ALA A 63 23.697 2.928 -9.488 1.00 42.20 C ATOM 989 C ALA A 63 23.899 4.338 -8.942 1.00 73.22 C ATOM 990 O ALA A 63 24.911 4.629 -8.305 1.00 42.52 O ATOM 991 CB ALA A 63 24.376 2.782 -10.842 1.00 2.32 C ATOM 0 H ALA A 63 21.983 2.315 -10.528 1.00 20.23 H new ATOM 0 HA ALA A 63 24.152 2.227 -8.788 1.00 42.20 H new ATOM 0 HB1 ALA A 63 25.434 3.026 -10.747 1.00 2.32 H new ATOM 0 HB2 ALA A 63 24.271 1.755 -11.193 1.00 2.32 H new ATOM 0 HB3 ALA A 63 23.910 3.460 -11.558 1.00 2.32 H new ATOM 997 N LYS A 64 22.929 5.210 -9.196 1.00 70.23 N ATOM 998 CA LYS A 64 22.999 6.590 -8.730 1.00 73.43 C ATOM 999 C LYS A 64 23.063 6.647 -7.207 1.00 55.04 C ATOM 1000 O LYS A 64 23.521 7.633 -6.632 1.00 41.24 O ATOM 1001 CB LYS A 64 21.788 7.380 -9.231 1.00 12.43 C ATOM 1002 CG LYS A 64 21.968 7.949 -10.628 1.00 34.23 C ATOM 1003 CD LYS A 64 22.167 9.455 -10.596 1.00 21.24 C ATOM 1004 CE LYS A 64 23.488 9.828 -9.940 1.00 12.21 C ATOM 1005 NZ LYS A 64 23.986 11.150 -10.410 1.00 0.52 N ATOM 0 H LYS A 64 22.085 4.985 -9.722 1.00 70.23 H new ATOM 0 HA LYS A 64 23.908 7.038 -9.131 1.00 73.43 H new ATOM 0 HB2 LYS A 64 20.912 6.731 -9.222 1.00 12.43 H new ATOM 0 HB3 LYS A 64 21.586 8.197 -8.538 1.00 12.43 H new ATOM 0 HG2 LYS A 64 22.827 7.478 -11.106 1.00 34.23 H new ATOM 0 HG3 LYS A 64 21.095 7.709 -11.235 1.00 34.23 H new ATOM 0 HD2 LYS A 64 22.140 9.848 -11.612 1.00 21.24 H new ATOM 0 HD3 LYS A 64 21.345 9.920 -10.052 1.00 21.24 H new ATOM 0 HE2 LYS A 64 23.362 9.851 -8.858 1.00 12.21 H new ATOM 0 HE3 LYS A 64 24.231 9.061 -10.158 1.00 12.21 H new ATOM 0 HZ1 LYS A 64 24.888 11.368 -9.940 1.00 0.52 H new ATOM 0 HZ2 LYS A 64 24.130 11.121 -11.440 1.00 0.52 H new ATOM 0 HZ3 LYS A 64 23.288 11.886 -10.179 1.00 0.52 H new ATOM 1019 N GLY A 65 22.600 5.582 -6.559 1.00 64.24 N ATOM 1020 CA GLY A 65 22.616 5.531 -5.109 1.00 55.51 C ATOM 1021 C GLY A 65 21.230 5.356 -4.521 1.00 13.44 C ATOM 1022 O GLY A 65 21.008 5.637 -3.343 1.00 62.10 O ATOM 0 H GLY A 65 22.214 4.754 -7.013 1.00 64.24 H new ATOM 0 HA2 GLY A 65 23.252 4.707 -4.784 1.00 55.51 H new ATOM 0 HA3 GLY A 65 23.059 6.448 -4.721 1.00 55.51 H new ATOM 1026 N ALA A 66 20.294 4.893 -5.342 1.00 73.14 N ATOM 1027 CA ALA A 66 18.922 4.681 -4.896 1.00 64.32 C ATOM 1028 C ALA A 66 18.369 5.926 -4.212 1.00 32.01 C ATOM 1029 O ALA A 66 18.099 5.918 -3.011 1.00 33.23 O ATOM 1030 CB ALA A 66 18.852 3.485 -3.958 1.00 14.00 C ATOM 0 H ALA A 66 20.460 4.657 -6.320 1.00 73.14 H new ATOM 0 HA ALA A 66 18.307 4.478 -5.773 1.00 64.32 H new ATOM 0 HB1 ALA A 66 17.822 3.338 -3.632 1.00 14.00 H new ATOM 0 HB2 ALA A 66 19.199 2.593 -4.479 1.00 14.00 H new ATOM 0 HB3 ALA A 66 19.485 3.666 -3.089 1.00 14.00 H new ATOM 1036 N TYR A 67 18.203 6.995 -4.983 1.00 70.42 N ATOM 1037 CA TYR A 67 17.684 8.249 -4.450 1.00 65.22 C ATOM 1038 C TYR A 67 16.393 8.018 -3.672 1.00 75.54 C ATOM 1039 O TYR A 67 15.330 7.816 -4.258 1.00 34.31 O ATOM 1040 CB TYR A 67 17.439 9.246 -5.584 1.00 11.24 C ATOM 1041 CG TYR A 67 18.523 10.292 -5.716 1.00 21.23 C ATOM 1042 CD1 TYR A 67 19.718 10.004 -6.363 1.00 41.12 C ATOM 1043 CD2 TYR A 67 18.352 11.568 -5.193 1.00 53.05 C ATOM 1044 CE1 TYR A 67 20.712 10.956 -6.485 1.00 55.24 C ATOM 1045 CE2 TYR A 67 19.339 12.527 -5.312 1.00 61.12 C ATOM 1046 CZ TYR A 67 20.517 12.216 -5.959 1.00 3.05 C ATOM 1047 OH TYR A 67 21.504 13.168 -6.079 1.00 71.44 O ATOM 0 H TYR A 67 18.420 7.018 -5.979 1.00 70.42 H new ATOM 0 HA TYR A 67 18.428 8.660 -3.768 1.00 65.22 H new ATOM 0 HB2 TYR A 67 17.356 8.701 -6.524 1.00 11.24 H new ATOM 0 HB3 TYR A 67 16.484 9.744 -5.419 1.00 11.24 H new ATOM 0 HD1 TYR A 67 19.873 9.019 -6.778 1.00 41.12 H new ATOM 0 HD2 TYR A 67 17.431 11.814 -4.685 1.00 53.05 H new ATOM 0 HE1 TYR A 67 21.636 10.715 -6.989 1.00 55.24 H new ATOM 0 HE2 TYR A 67 19.189 13.514 -4.901 1.00 61.12 H new ATOM 0 HH TYR A 67 21.208 14.001 -5.656 1.00 71.44 H new ATOM 1057 N GLY A 68 16.494 8.049 -2.347 1.00 15.31 N ATOM 1058 CA GLY A 68 15.327 7.842 -1.509 1.00 11.31 C ATOM 1059 C GLY A 68 14.367 9.015 -1.551 1.00 61.35 C ATOM 1060 O GLY A 68 14.356 9.782 -2.514 1.00 52.13 O ATOM 0 H GLY A 68 17.363 8.214 -1.839 1.00 15.31 H new ATOM 0 HA2 GLY A 68 14.807 6.940 -1.831 1.00 11.31 H new ATOM 0 HA3 GLY A 68 15.647 7.675 -0.481 1.00 11.31 H new ATOM 1064 N TYR A 69 13.558 9.153 -0.507 1.00 4.32 N ATOM 1065 CA TYR A 69 12.587 10.238 -0.431 1.00 3.24 C ATOM 1066 C TYR A 69 11.633 10.199 -1.620 1.00 14.40 C ATOM 1067 O TYR A 69 11.899 10.794 -2.664 1.00 43.52 O ATOM 1068 CB TYR A 69 13.303 11.589 -0.381 1.00 43.00 C ATOM 1069 CG TYR A 69 13.078 12.347 0.908 1.00 73.13 C ATOM 1070 CD1 TYR A 69 13.296 11.742 2.139 1.00 34.15 C ATOM 1071 CD2 TYR A 69 12.646 13.667 0.894 1.00 51.41 C ATOM 1072 CE1 TYR A 69 13.090 12.430 3.320 1.00 42.13 C ATOM 1073 CE2 TYR A 69 12.439 14.364 2.069 1.00 63.31 C ATOM 1074 CZ TYR A 69 12.663 13.741 3.279 1.00 34.21 C ATOM 1075 OH TYR A 69 12.457 14.431 4.452 1.00 74.51 O ATOM 0 H TYR A 69 13.555 8.527 0.298 1.00 4.32 H new ATOM 0 HA TYR A 69 12.006 10.108 0.482 1.00 3.24 H new ATOM 0 HB2 TYR A 69 14.373 11.429 -0.516 1.00 43.00 H new ATOM 0 HB3 TYR A 69 12.964 12.201 -1.217 1.00 43.00 H new ATOM 0 HD1 TYR A 69 13.632 10.716 2.174 1.00 34.15 H new ATOM 0 HD2 TYR A 69 12.469 14.157 -0.052 1.00 51.41 H new ATOM 0 HE1 TYR A 69 13.262 11.944 4.269 1.00 42.13 H new ATOM 0 HE2 TYR A 69 12.104 15.390 2.040 1.00 63.31 H new ATOM 0 HH TYR A 69 12.159 15.342 4.248 1.00 74.51 H new ATOM 1085 N ASP A 70 10.519 9.495 -1.453 1.00 53.11 N ATOM 1086 CA ASP A 70 9.522 9.379 -2.511 1.00 71.21 C ATOM 1087 C ASP A 70 8.112 9.360 -1.929 1.00 73.13 C ATOM 1088 O ASP A 70 7.755 8.461 -1.168 1.00 71.41 O ATOM 1089 CB ASP A 70 9.765 8.112 -3.333 1.00 52.00 C ATOM 1090 CG ASP A 70 9.683 8.366 -4.825 1.00 61.25 C ATOM 1091 OD1 ASP A 70 8.831 9.178 -5.244 1.00 4.02 O ATOM 1092 OD2 ASP A 70 10.471 7.753 -5.575 1.00 63.21 O ATOM 0 H ASP A 70 10.284 8.996 -0.595 1.00 53.11 H new ATOM 0 HA ASP A 70 9.615 10.248 -3.162 1.00 71.21 H new ATOM 0 HB2 ASP A 70 10.747 7.707 -3.090 1.00 52.00 H new ATOM 0 HB3 ASP A 70 9.031 7.356 -3.055 1.00 52.00 H new ATOM 1097 N VAL A 71 7.314 10.359 -2.292 1.00 51.31 N ATOM 1098 CA VAL A 71 5.943 10.458 -1.806 1.00 73.25 C ATOM 1099 C VAL A 71 5.139 9.216 -2.175 1.00 55.35 C ATOM 1100 O VAL A 71 4.178 8.862 -1.492 1.00 62.14 O ATOM 1101 CB VAL A 71 5.234 11.702 -2.374 1.00 3.31 C ATOM 1102 CG1 VAL A 71 5.029 11.562 -3.875 1.00 1.35 C ATOM 1103 CG2 VAL A 71 3.908 11.929 -1.665 1.00 12.31 C ATOM 0 H VAL A 71 7.594 11.112 -2.921 1.00 51.31 H new ATOM 0 HA VAL A 71 5.997 10.544 -0.721 1.00 73.25 H new ATOM 0 HB VAL A 71 5.867 12.572 -2.198 1.00 3.31 H new ATOM 0 HG11 VAL A 71 4.527 12.450 -4.258 1.00 1.35 H new ATOM 0 HG12 VAL A 71 5.996 11.452 -4.366 1.00 1.35 H new ATOM 0 HG13 VAL A 71 4.417 10.683 -4.078 1.00 1.35 H new ATOM 0 HG21 VAL A 71 3.421 12.812 -2.079 1.00 12.31 H new ATOM 0 HG22 VAL A 71 3.266 11.060 -1.807 1.00 12.31 H new ATOM 0 HG23 VAL A 71 4.086 12.078 -0.600 1.00 12.31 H new ATOM 1113 N GLN A 72 5.538 8.560 -3.260 1.00 22.32 N ATOM 1114 CA GLN A 72 4.854 7.357 -3.720 1.00 11.14 C ATOM 1115 C GLN A 72 5.594 6.724 -4.893 1.00 44.52 C ATOM 1116 O GLN A 72 4.986 6.355 -5.899 1.00 11.25 O ATOM 1117 CB GLN A 72 3.416 7.687 -4.126 1.00 25.40 C ATOM 1118 CG GLN A 72 2.518 6.465 -4.228 1.00 33.24 C ATOM 1119 CD GLN A 72 2.429 5.695 -2.924 1.00 42.43 C ATOM 1120 OE1 GLN A 72 2.520 4.468 -2.908 1.00 21.55 O ATOM 1121 NE2 GLN A 72 2.251 6.415 -1.823 1.00 1.04 N ATOM 0 H GLN A 72 6.331 8.841 -3.837 1.00 22.32 H new ATOM 0 HA GLN A 72 4.837 6.642 -2.898 1.00 11.14 H new ATOM 0 HB2 GLN A 72 2.992 8.380 -3.399 1.00 25.40 H new ATOM 0 HB3 GLN A 72 3.427 8.201 -5.087 1.00 25.40 H new ATOM 0 HG2 GLN A 72 1.518 6.778 -4.530 1.00 33.24 H new ATOM 0 HG3 GLN A 72 2.895 5.806 -5.010 1.00 33.24 H new ATOM 0 HE21 GLN A 72 2.181 7.431 -1.884 1.00 1.04 H new ATOM 0 HE22 GLN A 72 2.184 5.952 -0.916 1.00 1.04 H new ATOM 1130 N LEU A 73 6.910 6.603 -4.759 1.00 64.53 N ATOM 1131 CA LEU A 73 7.735 6.014 -5.809 1.00 50.43 C ATOM 1132 C LEU A 73 7.453 6.673 -7.156 1.00 60.30 C ATOM 1133 O LEU A 73 7.461 6.013 -8.196 1.00 42.21 O ATOM 1134 CB LEU A 73 7.481 4.509 -5.901 1.00 72.25 C ATOM 1135 CG LEU A 73 7.734 3.706 -4.625 1.00 30.00 C ATOM 1136 CD1 LEU A 73 9.003 4.184 -3.936 1.00 53.43 C ATOM 1137 CD2 LEU A 73 6.542 3.810 -3.684 1.00 45.22 C ATOM 0 H LEU A 73 7.429 6.905 -3.934 1.00 64.53 H new ATOM 0 HA LEU A 73 8.781 6.184 -5.554 1.00 50.43 H new ATOM 0 HB2 LEU A 73 6.446 4.354 -6.205 1.00 72.25 H new ATOM 0 HB3 LEU A 73 8.110 4.102 -6.693 1.00 72.25 H new ATOM 0 HG LEU A 73 7.866 2.659 -4.898 1.00 30.00 H new ATOM 0 HD11 LEU A 73 9.167 3.601 -3.030 1.00 53.43 H new ATOM 0 HD12 LEU A 73 9.852 4.057 -4.608 1.00 53.43 H new ATOM 0 HD13 LEU A 73 8.901 5.238 -3.676 1.00 53.43 H new ATOM 0 HD21 LEU A 73 6.740 3.232 -2.781 1.00 45.22 H new ATOM 0 HD22 LEU A 73 6.378 4.854 -3.418 1.00 45.22 H new ATOM 0 HD23 LEU A 73 5.653 3.418 -4.178 1.00 45.22 H new ATOM 1149 N THR A 74 7.205 7.979 -7.130 1.00 65.35 N ATOM 1150 CA THR A 74 6.922 8.727 -8.349 1.00 22.14 C ATOM 1151 C THR A 74 8.162 8.835 -9.229 1.00 23.34 C ATOM 1152 O THR A 74 8.064 9.071 -10.433 1.00 74.12 O ATOM 1153 CB THR A 74 6.407 10.143 -8.031 1.00 4.50 C ATOM 1154 OG1 THR A 74 5.272 10.069 -7.162 1.00 32.41 O ATOM 1155 CG2 THR A 74 6.028 10.880 -9.307 1.00 2.23 C ATOM 0 H THR A 74 7.194 8.540 -6.278 1.00 65.35 H new ATOM 0 HA THR A 74 6.148 8.178 -8.884 1.00 22.14 H new ATOM 0 HB THR A 74 7.207 10.693 -7.536 1.00 4.50 H new ATOM 0 HG1 THR A 74 4.952 10.974 -6.964 1.00 32.41 H new ATOM 0 HG21 THR A 74 5.667 11.878 -9.057 1.00 2.23 H new ATOM 0 HG22 THR A 74 6.902 10.961 -9.953 1.00 2.23 H new ATOM 0 HG23 THR A 74 5.243 10.330 -9.826 1.00 2.23 H new ATOM 1163 N THR A 75 9.331 8.659 -8.620 1.00 43.30 N ATOM 1164 CA THR A 75 10.591 8.737 -9.348 1.00 43.32 C ATOM 1165 C THR A 75 10.697 7.625 -10.386 1.00 14.44 C ATOM 1166 O THR A 75 11.003 7.877 -11.552 1.00 12.21 O ATOM 1167 CB THR A 75 11.798 8.650 -8.394 1.00 53.05 C ATOM 1168 OG1 THR A 75 11.831 7.365 -7.763 1.00 11.31 O ATOM 1169 CG2 THR A 75 11.730 9.740 -7.335 1.00 62.13 C ATOM 0 H THR A 75 9.431 8.461 -7.624 1.00 43.30 H new ATOM 0 HA THR A 75 10.605 9.703 -9.852 1.00 43.32 H new ATOM 0 HB THR A 75 12.707 8.791 -8.979 1.00 53.05 H new ATOM 0 HG1 THR A 75 11.424 7.427 -6.874 1.00 11.31 H new ATOM 0 HG21 THR A 75 12.592 9.659 -6.673 1.00 62.13 H new ATOM 0 HG22 THR A 75 11.734 10.717 -7.818 1.00 62.13 H new ATOM 0 HG23 THR A 75 10.815 9.626 -6.754 1.00 62.13 H new ATOM 1177 N LEU A 76 10.441 6.395 -9.955 1.00 54.01 N ATOM 1178 CA LEU A 76 10.506 5.243 -10.848 1.00 12.03 C ATOM 1179 C LEU A 76 9.290 5.198 -11.768 1.00 63.21 C ATOM 1180 O LEU A 76 9.390 4.796 -12.928 1.00 22.25 O ATOM 1181 CB LEU A 76 10.594 3.949 -10.037 1.00 22.02 C ATOM 1182 CG LEU A 76 11.193 2.743 -10.761 1.00 73.40 C ATOM 1183 CD1 LEU A 76 12.697 2.681 -10.543 1.00 55.32 C ATOM 1184 CD2 LEU A 76 10.531 1.456 -10.290 1.00 71.33 C ATOM 0 H LEU A 76 10.187 6.169 -8.993 1.00 54.01 H new ATOM 0 HA LEU A 76 11.401 5.341 -11.463 1.00 12.03 H new ATOM 0 HB2 LEU A 76 11.188 4.143 -9.144 1.00 22.02 H new ATOM 0 HB3 LEU A 76 9.591 3.685 -9.702 1.00 22.02 H new ATOM 0 HG LEU A 76 11.006 2.855 -11.829 1.00 73.40 H new ATOM 0 HD11 LEU A 76 13.105 1.816 -11.066 1.00 55.32 H new ATOM 0 HD12 LEU A 76 13.158 3.590 -10.930 1.00 55.32 H new ATOM 0 HD13 LEU A 76 12.907 2.593 -9.477 1.00 55.32 H new ATOM 0 HD21 LEU A 76 10.969 0.608 -10.816 1.00 71.33 H new ATOM 0 HD22 LEU A 76 10.687 1.338 -9.218 1.00 71.33 H new ATOM 0 HD23 LEU A 76 9.462 1.499 -10.499 1.00 71.33 H new ATOM 1196 N LYS A 77 8.142 5.615 -11.245 1.00 25.24 N ATOM 1197 CA LYS A 77 6.907 5.626 -12.019 1.00 21.11 C ATOM 1198 C LYS A 77 6.969 6.672 -13.127 1.00 12.40 C ATOM 1199 O LYS A 77 6.476 6.448 -14.232 1.00 44.21 O ATOM 1200 CB LYS A 77 5.711 5.905 -11.106 1.00 21.32 C ATOM 1201 CG LYS A 77 4.658 4.810 -11.132 1.00 11.52 C ATOM 1202 CD LYS A 77 4.751 3.917 -9.906 1.00 3.40 C ATOM 1203 CE LYS A 77 5.923 2.953 -10.007 1.00 2.01 C ATOM 1204 NZ LYS A 77 7.054 3.360 -9.127 1.00 74.11 N ATOM 0 H LYS A 77 8.041 5.950 -10.287 1.00 25.24 H new ATOM 0 HA LYS A 77 6.786 4.644 -12.477 1.00 21.11 H new ATOM 0 HB2 LYS A 77 6.067 6.031 -10.083 1.00 21.32 H new ATOM 0 HB3 LYS A 77 5.251 6.848 -11.402 1.00 21.32 H new ATOM 0 HG2 LYS A 77 3.666 5.259 -11.182 1.00 11.52 H new ATOM 0 HG3 LYS A 77 4.781 4.208 -12.032 1.00 11.52 H new ATOM 0 HD2 LYS A 77 4.861 4.533 -9.013 1.00 3.40 H new ATOM 0 HD3 LYS A 77 3.824 3.354 -9.793 1.00 3.40 H new ATOM 0 HE2 LYS A 77 5.593 1.951 -9.734 1.00 2.01 H new ATOM 0 HE3 LYS A 77 6.266 2.905 -11.041 1.00 2.01 H new ATOM 0 HZ1 LYS A 77 7.900 2.806 -9.370 1.00 74.11 H new ATOM 0 HZ2 LYS A 77 7.252 4.372 -9.262 1.00 74.11 H new ATOM 0 HZ3 LYS A 77 6.800 3.187 -8.133 1.00 74.11 H new ATOM 1218 N GLU A 78 7.578 7.814 -12.823 1.00 51.32 N ATOM 1219 CA GLU A 78 7.704 8.894 -13.795 1.00 11.20 C ATOM 1220 C GLU A 78 8.782 8.575 -14.827 1.00 32.42 C ATOM 1221 O GLU A 78 8.751 9.079 -15.949 1.00 75.04 O ATOM 1222 CB GLU A 78 8.033 10.211 -13.088 1.00 24.50 C ATOM 1223 CG GLU A 78 8.318 11.359 -14.041 1.00 62.24 C ATOM 1224 CD GLU A 78 8.611 12.659 -13.318 1.00 23.20 C ATOM 1225 OE1 GLU A 78 9.253 12.611 -12.248 1.00 1.31 O ATOM 1226 OE2 GLU A 78 8.199 13.724 -13.823 1.00 13.12 O ATOM 0 H GLU A 78 7.991 8.015 -11.912 1.00 51.32 H new ATOM 0 HA GLU A 78 6.750 8.996 -14.312 1.00 11.20 H new ATOM 0 HB2 GLU A 78 7.199 10.485 -12.442 1.00 24.50 H new ATOM 0 HB3 GLU A 78 8.899 10.061 -12.444 1.00 24.50 H new ATOM 0 HG2 GLU A 78 9.168 11.099 -14.672 1.00 62.24 H new ATOM 0 HG3 GLU A 78 7.462 11.500 -14.701 1.00 62.24 H new ATOM 1233 N ASP A 79 9.734 7.734 -14.438 1.00 1.24 N ATOM 1234 CA ASP A 79 10.822 7.346 -15.328 1.00 1.22 C ATOM 1235 C ASP A 79 10.347 6.320 -16.351 1.00 72.15 C ATOM 1236 O ASP A 79 10.589 6.466 -17.550 1.00 12.31 O ATOM 1237 CB ASP A 79 11.991 6.777 -14.522 1.00 11.42 C ATOM 1238 CG ASP A 79 13.014 7.836 -14.160 1.00 62.11 C ATOM 1239 OD1 ASP A 79 12.690 8.719 -13.339 1.00 11.15 O ATOM 1240 OD2 ASP A 79 14.140 7.781 -14.698 1.00 74.20 O ATOM 0 H ASP A 79 9.774 7.308 -13.512 1.00 1.24 H new ATOM 0 HA ASP A 79 11.157 8.236 -15.861 1.00 1.22 H new ATOM 0 HB2 ASP A 79 11.610 6.317 -13.610 1.00 11.42 H new ATOM 0 HB3 ASP A 79 12.476 5.989 -15.098 1.00 11.42 H new ATOM 1245 N ILE A 80 9.671 5.282 -15.871 1.00 31.31 N ATOM 1246 CA ILE A 80 9.162 4.232 -16.744 1.00 62.53 C ATOM 1247 C ILE A 80 8.195 4.797 -17.778 1.00 54.23 C ATOM 1248 O ILE A 80 8.204 4.391 -18.940 1.00 63.42 O ATOM 1249 CB ILE A 80 8.450 3.127 -15.941 1.00 53.31 C ATOM 1250 CG1 ILE A 80 7.888 2.062 -16.885 1.00 24.44 C ATOM 1251 CG2 ILE A 80 7.341 3.725 -15.088 1.00 75.32 C ATOM 1252 CD1 ILE A 80 8.945 1.385 -17.729 1.00 25.21 C ATOM 0 H ILE A 80 9.463 5.146 -14.882 1.00 31.31 H new ATOM 0 HA ILE A 80 10.024 3.801 -17.254 1.00 62.53 H new ATOM 0 HB ILE A 80 9.175 2.653 -15.280 1.00 53.31 H new ATOM 0 HG12 ILE A 80 7.365 1.307 -16.298 1.00 24.44 H new ATOM 0 HG13 ILE A 80 7.150 2.523 -17.542 1.00 24.44 H new ATOM 0 HG21 ILE A 80 6.847 2.933 -14.526 1.00 75.32 H new ATOM 0 HG22 ILE A 80 7.766 4.450 -14.395 1.00 75.32 H new ATOM 0 HG23 ILE A 80 6.614 4.221 -15.731 1.00 75.32 H new ATOM 0 HD11 ILE A 80 8.475 0.642 -18.374 1.00 25.21 H new ATOM 0 HD12 ILE A 80 9.452 2.129 -18.343 1.00 25.21 H new ATOM 0 HD13 ILE A 80 9.670 0.895 -17.080 1.00 25.21 H new ATOM 1264 N ARG A 81 7.361 5.739 -17.348 1.00 22.31 N ATOM 1265 CA ARG A 81 6.387 6.361 -18.236 1.00 43.34 C ATOM 1266 C ARG A 81 7.073 7.307 -19.218 1.00 25.11 C ATOM 1267 O ARG A 81 6.623 7.475 -20.352 1.00 45.31 O ATOM 1268 CB ARG A 81 5.339 7.125 -17.424 1.00 62.55 C ATOM 1269 CG ARG A 81 5.876 8.388 -16.772 1.00 53.34 C ATOM 1270 CD ARG A 81 4.790 9.120 -15.999 1.00 21.25 C ATOM 1271 NE ARG A 81 3.593 9.336 -16.807 1.00 31.04 N ATOM 1272 CZ ARG A 81 2.395 9.590 -16.292 1.00 71.10 C ATOM 1273 NH1 ARG A 81 2.236 9.660 -14.978 1.00 35.43 N ATOM 1274 NH2 ARG A 81 1.353 9.775 -17.093 1.00 3.31 N ATOM 0 H ARG A 81 7.341 6.088 -16.390 1.00 22.31 H new ATOM 0 HA ARG A 81 5.893 5.571 -18.802 1.00 43.34 H new ATOM 0 HB2 ARG A 81 4.507 7.389 -18.077 1.00 62.55 H new ATOM 0 HB3 ARG A 81 4.941 6.468 -16.651 1.00 62.55 H new ATOM 0 HG2 ARG A 81 6.694 8.132 -16.099 1.00 53.34 H new ATOM 0 HG3 ARG A 81 6.287 9.047 -17.537 1.00 53.34 H new ATOM 0 HD2 ARG A 81 4.528 8.546 -15.110 1.00 21.25 H new ATOM 0 HD3 ARG A 81 5.174 10.081 -15.656 1.00 21.25 H new ATOM 0 HE ARG A 81 3.681 9.289 -17.822 1.00 31.04 H new ATOM 0 HH11 ARG A 81 3.035 9.519 -14.359 1.00 35.43 H new ATOM 0 HH12 ARG A 81 1.315 9.855 -14.585 1.00 35.43 H new ATOM 0 HH21 ARG A 81 1.472 9.722 -18.105 1.00 3.31 H new ATOM 0 HH22 ARG A 81 0.434 9.970 -16.697 1.00 3.31 H new ATOM 1288 N LEU A 82 8.164 7.922 -18.774 1.00 62.14 N ATOM 1289 CA LEU A 82 8.913 8.851 -19.613 1.00 50.42 C ATOM 1290 C LEU A 82 9.529 8.131 -20.808 1.00 42.23 C ATOM 1291 O LEU A 82 9.590 8.676 -21.910 1.00 13.10 O ATOM 1292 CB LEU A 82 10.009 9.537 -18.796 1.00 1.22 C ATOM 1293 CG LEU A 82 10.775 10.655 -19.504 1.00 54.34 C ATOM 1294 CD1 LEU A 82 11.836 10.075 -20.426 1.00 73.31 C ATOM 1295 CD2 LEU A 82 9.818 11.546 -20.284 1.00 32.23 C ATOM 0 H LEU A 82 8.549 7.794 -17.838 1.00 62.14 H new ATOM 0 HA LEU A 82 8.220 9.605 -19.985 1.00 50.42 H new ATOM 0 HB2 LEU A 82 9.557 9.949 -17.893 1.00 1.22 H new ATOM 0 HB3 LEU A 82 10.725 8.779 -18.477 1.00 1.22 H new ATOM 0 HG LEU A 82 11.273 11.263 -18.748 1.00 54.34 H new ATOM 0 HD11 LEU A 82 12.371 10.886 -20.921 1.00 73.31 H new ATOM 0 HD12 LEU A 82 12.539 9.480 -19.843 1.00 73.31 H new ATOM 0 HD13 LEU A 82 11.360 9.443 -21.176 1.00 73.31 H new ATOM 0 HD21 LEU A 82 10.380 12.336 -20.781 1.00 32.23 H new ATOM 0 HD22 LEU A 82 9.292 10.950 -21.030 1.00 32.23 H new ATOM 0 HD23 LEU A 82 9.095 11.991 -19.600 1.00 32.23 H new ATOM 1307 N MET A 83 9.983 6.903 -20.582 1.00 64.25 N ATOM 1308 CA MET A 83 10.592 6.107 -21.642 1.00 73.40 C ATOM 1309 C MET A 83 9.556 5.716 -22.691 1.00 71.14 C ATOM 1310 O MET A 83 9.740 5.965 -23.883 1.00 22.01 O ATOM 1311 CB MET A 83 11.241 4.851 -21.057 1.00 32.20 C ATOM 1312 CG MET A 83 12.337 5.148 -20.047 1.00 65.21 C ATOM 1313 SD MET A 83 13.448 3.750 -19.797 1.00 22.23 S ATOM 1314 CE MET A 83 12.479 2.743 -18.676 1.00 53.52 C ATOM 0 H MET A 83 9.941 6.437 -19.675 1.00 64.25 H new ATOM 0 HA MET A 83 11.359 6.714 -22.123 1.00 73.40 H new ATOM 0 HB2 MET A 83 10.472 4.244 -20.579 1.00 32.20 H new ATOM 0 HB3 MET A 83 11.658 4.256 -21.869 1.00 32.20 H new ATOM 0 HG2 MET A 83 12.913 6.009 -20.385 1.00 65.21 H new ATOM 0 HG3 MET A 83 11.883 5.422 -19.094 1.00 65.21 H new ATOM 0 HE1 MET A 83 13.126 2.010 -18.194 1.00 53.52 H new ATOM 0 HE2 MET A 83 12.023 3.379 -17.917 1.00 53.52 H new ATOM 0 HE3 MET A 83 11.698 2.226 -19.234 1.00 53.52 H new ATOM 1324 N VAL A 84 8.466 5.102 -22.241 1.00 42.01 N ATOM 1325 CA VAL A 84 7.401 4.678 -23.141 1.00 73.43 C ATOM 1326 C VAL A 84 6.826 5.862 -23.910 1.00 10.33 C ATOM 1327 O VAL A 84 6.382 5.720 -25.048 1.00 42.32 O ATOM 1328 CB VAL A 84 6.264 3.977 -22.374 1.00 54.02 C ATOM 1329 CG1 VAL A 84 5.718 4.884 -21.282 1.00 55.54 C ATOM 1330 CG2 VAL A 84 5.158 3.554 -23.330 1.00 1.31 C ATOM 0 H VAL A 84 8.298 4.887 -21.258 1.00 42.01 H new ATOM 0 HA VAL A 84 7.844 3.973 -23.844 1.00 73.43 H new ATOM 0 HB VAL A 84 6.667 3.081 -21.901 1.00 54.02 H new ATOM 0 HG11 VAL A 84 4.916 4.372 -20.751 1.00 55.54 H new ATOM 0 HG12 VAL A 84 6.516 5.132 -20.582 1.00 55.54 H new ATOM 0 HG13 VAL A 84 5.330 5.799 -21.729 1.00 55.54 H new ATOM 0 HG21 VAL A 84 4.363 3.060 -22.771 1.00 1.31 H new ATOM 0 HG22 VAL A 84 4.756 4.433 -23.833 1.00 1.31 H new ATOM 0 HG23 VAL A 84 5.562 2.865 -24.072 1.00 1.31 H new ATOM 1340 N ASN A 85 6.838 7.032 -23.278 1.00 60.05 N ATOM 1341 CA ASN A 85 6.318 8.243 -23.903 1.00 33.20 C ATOM 1342 C ASN A 85 7.108 8.589 -25.161 1.00 61.22 C ATOM 1343 O ASN A 85 6.535 8.788 -26.231 1.00 52.03 O ATOM 1344 CB ASN A 85 6.369 9.412 -22.918 1.00 14.25 C ATOM 1345 CG ASN A 85 5.148 9.464 -22.019 1.00 2.51 C ATOM 1346 OD1 ASN A 85 4.040 9.129 -22.438 1.00 2.11 O ATOM 1347 ND2 ASN A 85 5.347 9.887 -20.776 1.00 13.13 N ATOM 0 H ASN A 85 7.202 7.167 -22.335 1.00 60.05 H new ATOM 0 HA ASN A 85 5.281 8.059 -24.186 1.00 33.20 H new ATOM 0 HB2 ASN A 85 7.266 9.327 -22.304 1.00 14.25 H new ATOM 0 HB3 ASN A 85 6.449 10.347 -23.472 1.00 14.25 H new ATOM 0 HD21 ASN A 85 4.564 9.944 -20.125 1.00 13.13 H new ATOM 0 HD22 ASN A 85 6.283 10.154 -20.472 1.00 13.13 H new ATOM 1354 N ASN A 86 8.428 8.658 -25.024 1.00 23.32 N ATOM 1355 CA ASN A 86 9.298 8.979 -26.149 1.00 41.44 C ATOM 1356 C ASN A 86 9.454 7.778 -27.077 1.00 53.43 C ATOM 1357 O ASN A 86 9.830 7.925 -28.241 1.00 20.32 O ATOM 1358 CB ASN A 86 10.671 9.431 -25.647 1.00 51.31 C ATOM 1359 CG ASN A 86 11.415 10.267 -26.671 1.00 30.50 C ATOM 1360 OD1 ASN A 86 12.387 9.810 -27.273 1.00 2.04 O ATOM 1361 ND2 ASN A 86 10.960 11.498 -26.873 1.00 62.32 N ATOM 0 H ASN A 86 8.919 8.496 -24.145 1.00 23.32 H new ATOM 0 HA ASN A 86 8.838 9.792 -26.710 1.00 41.44 H new ATOM 0 HB2 ASN A 86 10.548 10.009 -24.731 1.00 51.31 H new ATOM 0 HB3 ASN A 86 11.269 8.555 -25.394 1.00 51.31 H new ATOM 0 HD21 ASN A 86 11.420 12.107 -27.550 1.00 62.32 H new ATOM 0 HD22 ASN A 86 10.151 11.835 -26.351 1.00 62.32 H new ATOM 1368 N CYS A 87 9.161 6.593 -26.555 1.00 24.41 N ATOM 1369 CA CYS A 87 9.269 5.365 -27.336 1.00 52.51 C ATOM 1370 C CYS A 87 8.366 5.422 -28.564 1.00 41.02 C ATOM 1371 O CYS A 87 8.833 5.295 -29.696 1.00 45.44 O ATOM 1372 CB CYS A 87 8.904 4.155 -26.475 1.00 63.15 C ATOM 1373 SG CYS A 87 10.302 3.437 -25.582 1.00 24.14 S ATOM 0 H CYS A 87 8.847 6.456 -25.594 1.00 24.41 H new ATOM 0 HA CYS A 87 10.302 5.265 -27.671 1.00 52.51 H new ATOM 0 HB2 CYS A 87 8.141 4.451 -25.756 1.00 63.15 H new ATOM 0 HB3 CYS A 87 8.462 3.389 -27.112 1.00 63.15 H new ATOM 0 HG CYS A 87 10.626 4.211 -24.589 1.00 24.14 H new ATOM 1379 N ILE A 88 7.072 5.611 -28.332 1.00 54.12 N ATOM 1380 CA ILE A 88 6.104 5.684 -29.420 1.00 32.53 C ATOM 1381 C ILE A 88 6.105 7.065 -30.065 1.00 55.12 C ATOM 1382 O ILE A 88 5.829 7.206 -31.257 1.00 71.45 O ATOM 1383 CB ILE A 88 4.680 5.359 -28.929 1.00 44.31 C ATOM 1384 CG1 ILE A 88 4.182 6.453 -27.982 1.00 41.25 C ATOM 1385 CG2 ILE A 88 4.654 4.003 -28.241 1.00 34.14 C ATOM 1386 CD1 ILE A 88 3.283 7.468 -28.652 1.00 54.33 C ATOM 0 H ILE A 88 6.669 5.716 -27.401 1.00 54.12 H new ATOM 0 HA ILE A 88 6.403 4.941 -30.159 1.00 32.53 H new ATOM 0 HB ILE A 88 4.014 5.320 -29.791 1.00 44.31 H new ATOM 0 HG12 ILE A 88 3.641 5.990 -27.157 1.00 41.25 H new ATOM 0 HG13 ILE A 88 5.041 6.968 -27.551 1.00 41.25 H new ATOM 0 HG21 ILE A 88 3.641 3.788 -27.900 1.00 34.14 H new ATOM 0 HG22 ILE A 88 4.972 3.232 -28.943 1.00 34.14 H new ATOM 0 HG23 ILE A 88 5.330 4.016 -27.386 1.00 34.14 H new ATOM 0 HD11 ILE A 88 2.968 8.213 -27.922 1.00 54.33 H new ATOM 0 HD12 ILE A 88 3.827 7.959 -29.459 1.00 54.33 H new ATOM 0 HD13 ILE A 88 2.406 6.965 -29.059 1.00 54.33 H new ATOM 1398 N LEU A 89 6.418 8.083 -29.271 1.00 34.21 N ATOM 1399 CA LEU A 89 6.457 9.455 -29.765 1.00 33.12 C ATOM 1400 C LEU A 89 7.622 9.654 -30.728 1.00 63.13 C ATOM 1401 O LEU A 89 7.423 9.886 -31.921 1.00 31.40 O ATOM 1402 CB LEU A 89 6.573 10.435 -28.596 1.00 40.33 C ATOM 1403 CG LEU A 89 6.453 11.918 -28.950 1.00 1.12 C ATOM 1404 CD1 LEU A 89 5.202 12.516 -28.325 1.00 41.22 C ATOM 1405 CD2 LEU A 89 7.692 12.676 -28.497 1.00 3.32 C ATOM 0 H LEU A 89 6.648 7.984 -28.282 1.00 34.21 H new ATOM 0 HA LEU A 89 5.529 9.648 -30.303 1.00 33.12 H new ATOM 0 HB2 LEU A 89 5.800 10.192 -27.866 1.00 40.33 H new ATOM 0 HB3 LEU A 89 7.534 10.275 -28.108 1.00 40.33 H new ATOM 0 HG LEU A 89 6.372 12.008 -30.033 1.00 1.12 H new ATOM 0 HD11 LEU A 89 5.133 13.572 -28.588 1.00 41.22 H new ATOM 0 HD12 LEU A 89 4.322 11.991 -28.698 1.00 41.22 H new ATOM 0 HD13 LEU A 89 5.253 12.414 -27.241 1.00 41.22 H new ATOM 0 HD21 LEU A 89 7.589 13.730 -28.757 1.00 3.32 H new ATOM 0 HD22 LEU A 89 7.804 12.578 -27.417 1.00 3.32 H new ATOM 0 HD23 LEU A 89 8.572 12.264 -28.992 1.00 3.32 H new ATOM 1417 N PHE A 90 8.840 9.560 -30.204 1.00 34.33 N ATOM 1418 CA PHE A 90 10.038 9.728 -31.017 1.00 51.05 C ATOM 1419 C PHE A 90 10.081 8.698 -32.142 1.00 75.04 C ATOM 1420 O PHE A 90 10.066 9.050 -33.321 1.00 64.31 O ATOM 1421 CB PHE A 90 11.291 9.604 -30.149 1.00 25.40 C ATOM 1422 CG PHE A 90 12.461 10.391 -30.668 1.00 14.13 C ATOM 1423 CD1 PHE A 90 12.927 10.195 -31.957 1.00 45.04 C ATOM 1424 CD2 PHE A 90 13.093 11.327 -29.865 1.00 62.02 C ATOM 1425 CE1 PHE A 90 14.003 10.918 -32.438 1.00 11.20 C ATOM 1426 CE2 PHE A 90 14.169 12.053 -30.340 1.00 54.45 C ATOM 1427 CZ PHE A 90 14.625 11.848 -31.628 1.00 31.11 C ATOM 0 H PHE A 90 9.023 9.368 -29.219 1.00 34.33 H new ATOM 0 HA PHE A 90 10.009 10.723 -31.460 1.00 51.05 H new ATOM 0 HB2 PHE A 90 11.058 9.939 -29.138 1.00 25.40 H new ATOM 0 HB3 PHE A 90 11.572 8.553 -30.079 1.00 25.40 H new ATOM 0 HD1 PHE A 90 12.444 9.469 -32.594 1.00 45.04 H new ATOM 0 HD2 PHE A 90 12.741 11.491 -28.857 1.00 62.02 H new ATOM 0 HE1 PHE A 90 14.357 10.756 -33.446 1.00 11.20 H new ATOM 0 HE2 PHE A 90 14.653 12.780 -29.705 1.00 54.45 H new ATOM 0 HZ PHE A 90 15.466 12.414 -32.001 1.00 31.11 H new ATOM 1437 N ASN A 91 10.133 7.424 -31.768 1.00 64.31 N ATOM 1438 CA ASN A 91 10.179 6.342 -32.745 1.00 24.43 C ATOM 1439 C ASN A 91 10.292 4.987 -32.051 1.00 53.32 C ATOM 1440 O ASN A 91 11.305 4.682 -31.423 1.00 75.33 O ATOM 1441 CB ASN A 91 11.359 6.538 -33.699 1.00 61.31 C ATOM 1442 CG ASN A 91 10.916 6.698 -35.141 1.00 1.35 C ATOM 1443 OD1 ASN A 91 11.085 7.761 -35.739 1.00 21.12 O ATOM 1444 ND2 ASN A 91 10.345 5.641 -35.705 1.00 63.42 N ATOM 0 H ASN A 91 10.144 7.115 -30.796 1.00 64.31 H new ATOM 0 HA ASN A 91 9.251 6.362 -33.316 1.00 24.43 H new ATOM 0 HB2 ASN A 91 11.925 7.419 -33.396 1.00 61.31 H new ATOM 0 HB3 ASN A 91 12.032 5.684 -33.621 1.00 61.31 H new ATOM 0 HD21 ASN A 91 10.026 5.689 -36.673 1.00 63.42 H new ATOM 0 HD22 ASN A 91 10.226 4.780 -35.171 1.00 63.42 H new ATOM 1451 N GLY A 92 9.243 4.179 -32.170 1.00 71.42 N ATOM 1452 CA GLY A 92 9.244 2.866 -31.550 1.00 51.44 C ATOM 1453 C GLY A 92 8.051 2.028 -31.966 1.00 64.00 C ATOM 1454 O GLY A 92 8.199 1.038 -32.682 1.00 45.32 O ATOM 0 H GLY A 92 8.393 4.410 -32.684 1.00 71.42 H new ATOM 0 HA2 GLY A 92 10.162 2.343 -31.816 1.00 51.44 H new ATOM 0 HA3 GLY A 92 9.244 2.979 -30.466 1.00 51.44 H new ATOM 1458 N ALA A 93 6.866 2.423 -31.514 1.00 53.54 N ATOM 1459 CA ALA A 93 5.643 1.702 -31.844 1.00 61.41 C ATOM 1460 C ALA A 93 4.911 2.364 -33.006 1.00 71.22 C ATOM 1461 O ALA A 93 4.857 1.819 -34.108 1.00 45.44 O ATOM 1462 CB ALA A 93 4.736 1.616 -30.626 1.00 13.52 C ATOM 0 H ALA A 93 6.727 3.239 -30.918 1.00 53.54 H new ATOM 0 HA ALA A 93 5.918 0.693 -32.151 1.00 61.41 H new ATOM 0 HB1 ALA A 93 3.826 1.075 -30.887 1.00 13.52 H new ATOM 0 HB2 ALA A 93 5.253 1.090 -29.824 1.00 13.52 H new ATOM 0 HB3 ALA A 93 4.477 2.621 -30.293 1.00 13.52 H new ATOM 1468 N GLU A 94 4.348 3.541 -32.751 1.00 71.23 N ATOM 1469 CA GLU A 94 3.617 4.276 -33.777 1.00 64.44 C ATOM 1470 C GLU A 94 2.439 3.458 -34.297 1.00 74.31 C ATOM 1471 O GLU A 94 1.909 3.726 -35.375 1.00 5.53 O ATOM 1472 CB GLU A 94 4.549 4.641 -34.935 1.00 73.22 C ATOM 1473 CG GLU A 94 4.337 6.049 -35.466 1.00 31.22 C ATOM 1474 CD GLU A 94 5.524 6.558 -36.260 1.00 22.30 C ATOM 1475 OE1 GLU A 94 6.237 5.725 -36.859 1.00 52.34 O ATOM 1476 OE2 GLU A 94 5.741 7.787 -36.282 1.00 10.10 O ATOM 0 H GLU A 94 4.384 4.006 -31.844 1.00 71.23 H new ATOM 0 HA GLU A 94 3.231 5.191 -33.327 1.00 64.44 H new ATOM 0 HB2 GLU A 94 5.583 4.538 -34.605 1.00 73.22 H new ATOM 0 HB3 GLU A 94 4.402 3.929 -35.747 1.00 73.22 H new ATOM 0 HG2 GLU A 94 3.449 6.065 -36.097 1.00 31.22 H new ATOM 0 HG3 GLU A 94 4.147 6.723 -34.631 1.00 31.22 H new ATOM 1483 N GLY A 95 2.033 2.456 -33.522 1.00 12.42 N ATOM 1484 CA GLY A 95 0.920 1.614 -33.920 1.00 64.21 C ATOM 1485 C GLY A 95 0.750 0.412 -33.012 1.00 74.25 C ATOM 1486 O GLY A 95 -0.358 -0.098 -32.848 1.00 14.30 O ATOM 0 H GLY A 95 2.455 2.213 -32.626 1.00 12.42 H new ATOM 0 HA2 GLY A 95 0.003 2.203 -33.914 1.00 64.21 H new ATOM 0 HA3 GLY A 95 1.074 1.273 -34.944 1.00 64.21 H new ATOM 1490 N ALA A 96 1.850 -0.044 -32.423 1.00 2.41 N ATOM 1491 CA ALA A 96 1.817 -1.193 -31.527 1.00 61.02 C ATOM 1492 C ALA A 96 2.257 -0.805 -30.120 1.00 3.03 C ATOM 1493 O ALA A 96 3.202 -1.376 -29.574 1.00 72.44 O ATOM 1494 CB ALA A 96 2.698 -2.310 -32.069 1.00 14.45 C ATOM 0 H ALA A 96 2.776 0.365 -32.550 1.00 2.41 H new ATOM 0 HA ALA A 96 0.789 -1.550 -31.472 1.00 61.02 H new ATOM 0 HB1 ALA A 96 2.664 -3.162 -31.390 1.00 14.45 H new ATOM 0 HB2 ALA A 96 2.337 -2.614 -33.051 1.00 14.45 H new ATOM 0 HB3 ALA A 96 3.725 -1.955 -32.154 1.00 14.45 H new ATOM 1500 N TYR A 97 1.568 0.169 -29.537 1.00 52.50 N ATOM 1501 CA TYR A 97 1.890 0.636 -28.194 1.00 0.13 C ATOM 1502 C TYR A 97 1.959 -0.531 -27.214 1.00 23.14 C ATOM 1503 O TYR A 97 2.693 -0.485 -26.227 1.00 12.44 O ATOM 1504 CB TYR A 97 0.849 1.652 -27.721 1.00 3.42 C ATOM 1505 CG TYR A 97 -0.561 1.107 -27.693 1.00 24.14 C ATOM 1506 CD1 TYR A 97 -1.379 1.184 -28.812 1.00 52.34 C ATOM 1507 CD2 TYR A 97 -1.074 0.513 -26.546 1.00 3.12 C ATOM 1508 CE1 TYR A 97 -2.668 0.688 -28.791 1.00 32.14 C ATOM 1509 CE2 TYR A 97 -2.361 0.013 -26.515 1.00 60.34 C ATOM 1510 CZ TYR A 97 -3.154 0.103 -27.640 1.00 74.21 C ATOM 1511 OH TYR A 97 -4.437 -0.394 -27.615 1.00 33.12 O ATOM 0 H TYR A 97 0.782 0.651 -29.974 1.00 52.50 H new ATOM 0 HA TYR A 97 2.868 1.117 -28.229 1.00 0.13 H new ATOM 0 HB2 TYR A 97 1.117 1.995 -26.722 1.00 3.42 H new ATOM 0 HB3 TYR A 97 0.880 2.523 -28.376 1.00 3.42 H new ATOM 0 HD1 TYR A 97 -1.001 1.640 -29.715 1.00 52.34 H new ATOM 0 HD2 TYR A 97 -0.455 0.441 -25.664 1.00 3.12 H new ATOM 0 HE1 TYR A 97 -3.291 0.758 -29.670 1.00 32.14 H new ATOM 0 HE2 TYR A 97 -2.744 -0.446 -25.615 1.00 60.34 H new ATOM 0 HH TYR A 97 -4.624 -0.774 -26.731 1.00 33.12 H new ATOM 1521 N ALA A 98 1.190 -1.578 -27.495 1.00 0.33 N ATOM 1522 CA ALA A 98 1.165 -2.759 -26.641 1.00 1.32 C ATOM 1523 C ALA A 98 2.568 -3.322 -26.442 1.00 60.33 C ATOM 1524 O ALA A 98 2.860 -3.941 -25.419 1.00 13.25 O ATOM 1525 CB ALA A 98 0.247 -3.818 -27.232 1.00 63.43 C ATOM 0 H ALA A 98 0.576 -1.632 -28.308 1.00 0.33 H new ATOM 0 HA ALA A 98 0.779 -2.464 -25.665 1.00 1.32 H new ATOM 0 HB1 ALA A 98 0.238 -4.694 -26.584 1.00 63.43 H new ATOM 0 HB2 ALA A 98 -0.764 -3.418 -27.316 1.00 63.43 H new ATOM 0 HB3 ALA A 98 0.608 -4.102 -28.221 1.00 63.43 H new ATOM 1531 N ASP A 99 3.432 -3.105 -27.427 1.00 64.44 N ATOM 1532 CA ASP A 99 4.806 -3.592 -27.361 1.00 14.34 C ATOM 1533 C ASP A 99 5.549 -2.960 -26.188 1.00 24.00 C ATOM 1534 O ASP A 99 6.287 -3.636 -25.471 1.00 51.04 O ATOM 1535 CB ASP A 99 5.540 -3.291 -28.668 1.00 50.20 C ATOM 1536 CG ASP A 99 5.124 -4.219 -29.792 1.00 41.14 C ATOM 1537 OD1 ASP A 99 4.299 -5.123 -29.542 1.00 4.22 O ATOM 1538 OD2 ASP A 99 5.623 -4.041 -30.923 1.00 53.32 O ATOM 0 H ASP A 99 3.206 -2.595 -28.281 1.00 64.44 H new ATOM 0 HA ASP A 99 4.777 -4.671 -27.211 1.00 14.34 H new ATOM 0 HB2 ASP A 99 5.345 -2.259 -28.961 1.00 50.20 H new ATOM 0 HB3 ASP A 99 6.614 -3.379 -28.507 1.00 50.20 H new ATOM 1543 N ALA A 100 5.351 -1.660 -25.999 1.00 52.55 N ATOM 1544 CA ALA A 100 6.002 -0.937 -24.914 1.00 13.12 C ATOM 1545 C ALA A 100 5.268 -1.152 -23.594 1.00 43.41 C ATOM 1546 O ALA A 100 5.843 -0.983 -22.519 1.00 62.32 O ATOM 1547 CB ALA A 100 6.081 0.547 -25.240 1.00 51.14 C ATOM 0 H ALA A 100 4.744 -1.085 -26.584 1.00 52.55 H new ATOM 0 HA ALA A 100 7.014 -1.328 -24.806 1.00 13.12 H new ATOM 0 HB1 ALA A 100 6.570 1.074 -24.420 1.00 51.14 H new ATOM 0 HB2 ALA A 100 6.655 0.688 -26.156 1.00 51.14 H new ATOM 0 HB3 ALA A 100 5.075 0.943 -25.378 1.00 51.14 H new ATOM 1553 N ALA A 101 3.996 -1.523 -23.684 1.00 35.44 N ATOM 1554 CA ALA A 101 3.184 -1.762 -22.496 1.00 62.34 C ATOM 1555 C ALA A 101 3.649 -3.012 -21.756 1.00 2.40 C ATOM 1556 O ALA A 101 3.518 -3.106 -20.535 1.00 45.05 O ATOM 1557 CB ALA A 101 1.716 -1.887 -22.877 1.00 23.43 C ATOM 0 H ALA A 101 3.505 -1.665 -24.567 1.00 35.44 H new ATOM 0 HA ALA A 101 3.303 -0.910 -21.827 1.00 62.34 H new ATOM 0 HB1 ALA A 101 1.121 -2.065 -21.981 1.00 23.43 H new ATOM 0 HB2 ALA A 101 1.384 -0.965 -23.355 1.00 23.43 H new ATOM 0 HB3 ALA A 101 1.589 -2.720 -23.568 1.00 23.43 H new ATOM 1563 N ARG A 102 4.191 -3.969 -22.502 1.00 5.50 N ATOM 1564 CA ARG A 102 4.674 -5.213 -21.916 1.00 31.22 C ATOM 1565 C ARG A 102 5.778 -4.943 -20.897 1.00 54.45 C ATOM 1566 O ARG A 102 5.711 -5.401 -19.756 1.00 65.24 O ATOM 1567 CB ARG A 102 5.192 -6.149 -23.009 1.00 63.30 C ATOM 1568 CG ARG A 102 4.977 -7.622 -22.702 1.00 23.31 C ATOM 1569 CD ARG A 102 3.498 -7.966 -22.631 1.00 33.40 C ATOM 1570 NE ARG A 102 3.171 -8.733 -21.431 1.00 52.44 N ATOM 1571 CZ ARG A 102 3.383 -10.038 -21.313 1.00 21.51 C ATOM 1572 NH1 ARG A 102 3.920 -10.720 -22.316 1.00 13.13 N ATOM 1573 NH2 ARG A 102 3.059 -10.665 -20.189 1.00 71.33 N ATOM 0 H ARG A 102 4.307 -3.906 -23.514 1.00 5.50 H new ATOM 0 HA ARG A 102 3.839 -5.691 -21.403 1.00 31.22 H new ATOM 0 HB2 ARG A 102 4.696 -5.906 -23.949 1.00 63.30 H new ATOM 0 HB3 ARG A 102 6.257 -5.969 -23.155 1.00 63.30 H new ATOM 0 HG2 ARG A 102 5.456 -8.229 -23.470 1.00 23.31 H new ATOM 0 HG3 ARG A 102 5.455 -7.871 -21.755 1.00 23.31 H new ATOM 0 HD2 ARG A 102 2.911 -7.048 -22.645 1.00 33.40 H new ATOM 0 HD3 ARG A 102 3.216 -8.538 -23.515 1.00 33.40 H new ATOM 0 HE ARG A 102 2.757 -8.238 -20.641 1.00 52.44 H new ATOM 0 HH11 ARG A 102 4.171 -10.242 -23.181 1.00 13.13 H new ATOM 0 HH12 ARG A 102 4.082 -11.723 -22.222 1.00 13.13 H new ATOM 0 HH21 ARG A 102 2.647 -10.144 -19.415 1.00 71.33 H new ATOM 0 HH22 ARG A 102 3.222 -11.668 -20.099 1.00 71.33 H new ATOM 1587 N THR A 103 6.793 -4.195 -21.318 1.00 3.42 N ATOM 1588 CA THR A 103 7.912 -3.864 -20.444 1.00 70.21 C ATOM 1589 C THR A 103 7.465 -2.973 -19.291 1.00 74.10 C ATOM 1590 O THR A 103 8.028 -3.026 -18.198 1.00 4.42 O ATOM 1591 CB THR A 103 9.039 -3.155 -21.218 1.00 62.34 C ATOM 1592 OG1 THR A 103 10.106 -2.812 -20.327 1.00 33.55 O ATOM 1593 CG2 THR A 103 8.519 -1.899 -21.902 1.00 24.52 C ATOM 0 H THR A 103 6.863 -3.807 -22.259 1.00 3.42 H new ATOM 0 HA THR A 103 8.291 -4.806 -20.046 1.00 70.21 H new ATOM 0 HB THR A 103 9.410 -3.839 -21.982 1.00 62.34 H new ATOM 0 HG1 THR A 103 10.562 -2.009 -20.656 1.00 33.55 H new ATOM 0 HG21 THR A 103 9.333 -1.415 -22.442 1.00 24.52 H new ATOM 0 HG22 THR A 103 7.728 -2.167 -22.602 1.00 24.52 H new ATOM 0 HG23 THR A 103 8.124 -1.214 -21.152 1.00 24.52 H new ATOM 1601 N PHE A 104 6.447 -2.155 -19.542 1.00 24.55 N ATOM 1602 CA PHE A 104 5.924 -1.252 -18.523 1.00 62.04 C ATOM 1603 C PHE A 104 5.357 -2.034 -17.342 1.00 54.23 C ATOM 1604 O PHE A 104 5.696 -1.769 -16.190 1.00 31.14 O ATOM 1605 CB PHE A 104 4.842 -0.350 -19.120 1.00 11.43 C ATOM 1606 CG PHE A 104 4.227 0.589 -18.121 1.00 43.33 C ATOM 1607 CD1 PHE A 104 3.182 0.174 -17.312 1.00 24.01 C ATOM 1608 CD2 PHE A 104 4.694 1.888 -17.993 1.00 22.52 C ATOM 1609 CE1 PHE A 104 2.615 1.035 -16.392 1.00 13.32 C ATOM 1610 CE2 PHE A 104 4.131 2.753 -17.074 1.00 51.14 C ATOM 1611 CZ PHE A 104 3.089 2.327 -16.274 1.00 21.02 C ATOM 0 H PHE A 104 5.969 -2.099 -20.441 1.00 24.55 H new ATOM 0 HA PHE A 104 6.746 -0.633 -18.164 1.00 62.04 H new ATOM 0 HB2 PHE A 104 5.273 0.231 -19.935 1.00 11.43 H new ATOM 0 HB3 PHE A 104 4.059 -0.973 -19.552 1.00 11.43 H new ATOM 0 HD1 PHE A 104 2.806 -0.834 -17.401 1.00 24.01 H new ATOM 0 HD2 PHE A 104 5.507 2.228 -18.618 1.00 22.52 H new ATOM 0 HE1 PHE A 104 1.802 0.698 -15.766 1.00 13.32 H new ATOM 0 HE2 PHE A 104 4.506 3.762 -16.981 1.00 51.14 H new ATOM 0 HZ PHE A 104 2.646 3.003 -15.558 1.00 21.02 H new ATOM 1621 N GLU A 105 4.490 -2.997 -17.640 1.00 21.24 N ATOM 1622 CA GLU A 105 3.874 -3.816 -16.602 1.00 62.43 C ATOM 1623 C GLU A 105 4.937 -4.505 -15.750 1.00 53.14 C ATOM 1624 O GLU A 105 4.843 -4.533 -14.523 1.00 41.40 O ATOM 1625 CB GLU A 105 2.950 -4.863 -17.229 1.00 45.12 C ATOM 1626 CG GLU A 105 1.624 -4.296 -17.706 1.00 72.10 C ATOM 1627 CD GLU A 105 0.884 -5.243 -18.631 1.00 52.32 C ATOM 1628 OE1 GLU A 105 1.218 -6.446 -18.641 1.00 14.24 O ATOM 1629 OE2 GLU A 105 -0.030 -4.779 -19.346 1.00 23.42 O ATOM 0 H GLU A 105 4.199 -3.229 -18.590 1.00 21.24 H new ATOM 0 HA GLU A 105 3.286 -3.161 -15.959 1.00 62.43 H new ATOM 0 HB2 GLU A 105 3.461 -5.328 -18.072 1.00 45.12 H new ATOM 0 HB3 GLU A 105 2.758 -5.650 -16.499 1.00 45.12 H new ATOM 0 HG2 GLU A 105 0.997 -4.073 -16.843 1.00 72.10 H new ATOM 0 HG3 GLU A 105 1.801 -3.353 -18.223 1.00 72.10 H new ATOM 1636 N LYS A 106 5.947 -5.061 -16.410 1.00 40.35 N ATOM 1637 CA LYS A 106 7.029 -5.749 -15.716 1.00 73.23 C ATOM 1638 C LYS A 106 7.619 -4.869 -14.619 1.00 54.44 C ATOM 1639 O LYS A 106 7.840 -5.323 -13.497 1.00 14.24 O ATOM 1640 CB LYS A 106 8.124 -6.151 -16.707 1.00 11.21 C ATOM 1641 CG LYS A 106 7.854 -7.470 -17.410 1.00 41.32 C ATOM 1642 CD LYS A 106 8.742 -8.580 -16.873 1.00 53.11 C ATOM 1643 CE LYS A 106 8.924 -9.692 -17.895 1.00 53.40 C ATOM 1644 NZ LYS A 106 8.133 -10.904 -17.543 1.00 2.40 N ATOM 0 H LYS A 106 6.039 -5.049 -17.426 1.00 40.35 H new ATOM 0 HA LYS A 106 6.618 -6.647 -15.255 1.00 73.23 H new ATOM 0 HB2 LYS A 106 8.231 -5.366 -17.455 1.00 11.21 H new ATOM 0 HB3 LYS A 106 9.074 -6.219 -16.178 1.00 11.21 H new ATOM 0 HG2 LYS A 106 6.807 -7.745 -17.280 1.00 41.32 H new ATOM 0 HG3 LYS A 106 8.022 -7.354 -18.481 1.00 41.32 H new ATOM 0 HD2 LYS A 106 9.715 -8.170 -16.603 1.00 53.11 H new ATOM 0 HD3 LYS A 106 8.304 -8.989 -15.963 1.00 53.11 H new ATOM 0 HE2 LYS A 106 8.621 -9.334 -18.879 1.00 53.40 H new ATOM 0 HE3 LYS A 106 9.980 -9.954 -17.962 1.00 53.40 H new ATOM 0 HZ1 LYS A 106 8.284 -11.638 -18.264 1.00 2.40 H new ATOM 0 HZ2 LYS A 106 8.439 -11.261 -16.615 1.00 2.40 H new ATOM 0 HZ3 LYS A 106 7.123 -10.660 -17.504 1.00 2.40 H new ATOM 1658 N PHE A 107 7.870 -3.607 -14.951 1.00 43.33 N ATOM 1659 CA PHE A 107 8.434 -2.662 -13.994 1.00 21.21 C ATOM 1660 C PHE A 107 7.568 -2.576 -12.741 1.00 0.04 C ATOM 1661 O PHE A 107 8.067 -2.676 -11.620 1.00 42.42 O ATOM 1662 CB PHE A 107 8.569 -1.277 -14.631 1.00 21.45 C ATOM 1663 CG PHE A 107 9.956 -0.976 -15.122 1.00 22.13 C ATOM 1664 CD1 PHE A 107 10.547 -1.764 -16.096 1.00 72.23 C ATOM 1665 CD2 PHE A 107 10.670 0.095 -14.608 1.00 73.03 C ATOM 1666 CE1 PHE A 107 11.823 -1.490 -16.551 1.00 11.52 C ATOM 1667 CE2 PHE A 107 11.946 0.375 -15.059 1.00 72.22 C ATOM 1668 CZ PHE A 107 12.524 -0.419 -16.031 1.00 34.13 C ATOM 0 H PHE A 107 7.692 -3.215 -15.876 1.00 43.33 H new ATOM 0 HA PHE A 107 9.423 -3.020 -13.707 1.00 21.21 H new ATOM 0 HB2 PHE A 107 7.872 -1.200 -15.466 1.00 21.45 H new ATOM 0 HB3 PHE A 107 8.278 -0.521 -13.902 1.00 21.45 H new ATOM 0 HD1 PHE A 107 10.004 -2.603 -16.505 1.00 72.23 H new ATOM 0 HD2 PHE A 107 10.224 0.718 -13.846 1.00 73.03 H new ATOM 0 HE1 PHE A 107 12.271 -2.112 -17.312 1.00 11.52 H new ATOM 0 HE2 PHE A 107 12.491 1.214 -14.652 1.00 72.22 H new ATOM 0 HZ PHE A 107 13.522 -0.203 -16.384 1.00 34.13 H new ATOM 1678 N ALA A 108 6.267 -2.389 -12.939 1.00 63.42 N ATOM 1679 CA ALA A 108 5.331 -2.291 -11.826 1.00 60.04 C ATOM 1680 C ALA A 108 5.474 -3.480 -10.882 1.00 0.42 C ATOM 1681 O ALA A 108 5.414 -3.326 -9.662 1.00 41.23 O ATOM 1682 CB ALA A 108 3.904 -2.195 -12.344 1.00 53.15 C ATOM 0 H ALA A 108 5.837 -2.302 -13.860 1.00 63.42 H new ATOM 0 HA ALA A 108 5.565 -1.386 -11.266 1.00 60.04 H new ATOM 0 HB1 ALA A 108 3.215 -2.122 -11.502 1.00 53.15 H new ATOM 0 HB2 ALA A 108 3.804 -1.310 -12.972 1.00 53.15 H new ATOM 0 HB3 ALA A 108 3.669 -3.084 -12.929 1.00 53.15 H new ATOM 1688 N MET A 109 5.663 -4.664 -11.454 1.00 35.55 N ATOM 1689 CA MET A 109 5.814 -5.879 -10.661 1.00 65.32 C ATOM 1690 C MET A 109 7.010 -5.769 -9.720 1.00 52.41 C ATOM 1691 O MET A 109 6.935 -6.163 -8.557 1.00 51.40 O ATOM 1692 CB MET A 109 5.982 -7.093 -11.577 1.00 22.31 C ATOM 1693 CG MET A 109 5.386 -8.371 -11.008 1.00 50.40 C ATOM 1694 SD MET A 109 4.994 -9.583 -12.284 1.00 41.32 S ATOM 1695 CE MET A 109 6.549 -10.463 -12.404 1.00 44.10 C ATOM 0 H MET A 109 5.715 -4.809 -12.462 1.00 35.55 H new ATOM 0 HA MET A 109 4.913 -6.006 -10.061 1.00 65.32 H new ATOM 0 HB2 MET A 109 5.514 -6.880 -12.538 1.00 22.31 H new ATOM 0 HB3 MET A 109 7.044 -7.250 -11.767 1.00 22.31 H new ATOM 0 HG2 MET A 109 6.088 -8.810 -10.299 1.00 50.40 H new ATOM 0 HG3 MET A 109 4.480 -8.129 -10.452 1.00 50.40 H new ATOM 0 HE1 MET A 109 6.466 -11.248 -13.156 1.00 44.10 H new ATOM 0 HE2 MET A 109 7.339 -9.769 -12.690 1.00 44.10 H new ATOM 0 HE3 MET A 109 6.790 -10.909 -11.439 1.00 44.10 H new ATOM 1705 N GLY A 110 8.113 -5.230 -10.232 1.00 14.13 N ATOM 1706 CA GLY A 110 9.308 -5.078 -9.423 1.00 11.21 C ATOM 1707 C GLY A 110 9.073 -4.219 -8.196 1.00 53.35 C ATOM 1708 O GLY A 110 9.462 -4.586 -7.088 1.00 1.24 O ATOM 0 H GLY A 110 8.200 -4.896 -11.192 1.00 14.13 H new ATOM 0 HA2 GLY A 110 9.660 -6.062 -9.112 1.00 11.21 H new ATOM 0 HA3 GLY A 110 10.098 -4.633 -10.028 1.00 11.21 H new ATOM 1712 N LYS A 111 8.435 -3.070 -8.394 1.00 41.12 N ATOM 1713 CA LYS A 111 8.148 -2.155 -7.296 1.00 43.51 C ATOM 1714 C LYS A 111 7.450 -2.881 -6.151 1.00 11.42 C ATOM 1715 O LYS A 111 7.804 -2.705 -4.985 1.00 2.13 O ATOM 1716 CB LYS A 111 7.277 -0.995 -7.786 1.00 23.35 C ATOM 1717 CG LYS A 111 7.329 0.227 -6.885 1.00 32.42 C ATOM 1718 CD LYS A 111 6.169 0.245 -5.903 1.00 40.23 C ATOM 1719 CE LYS A 111 4.868 0.642 -6.585 1.00 5.22 C ATOM 1720 NZ LYS A 111 3.749 -0.269 -6.218 1.00 64.20 N ATOM 0 H LYS A 111 8.107 -2.751 -9.305 1.00 41.12 H new ATOM 0 HA LYS A 111 9.095 -1.760 -6.928 1.00 43.51 H new ATOM 0 HB2 LYS A 111 7.596 -0.711 -8.789 1.00 23.35 H new ATOM 0 HB3 LYS A 111 6.244 -1.335 -7.864 1.00 23.35 H new ATOM 0 HG2 LYS A 111 8.271 0.236 -6.337 1.00 32.42 H new ATOM 0 HG3 LYS A 111 7.306 1.131 -7.494 1.00 32.42 H new ATOM 0 HD2 LYS A 111 6.058 -0.741 -5.451 1.00 40.23 H new ATOM 0 HD3 LYS A 111 6.386 0.944 -5.095 1.00 40.23 H new ATOM 0 HE2 LYS A 111 4.610 1.664 -6.308 1.00 5.22 H new ATOM 0 HE3 LYS A 111 5.006 0.630 -7.666 1.00 5.22 H new ATOM 0 HZ1 LYS A 111 2.881 0.035 -6.703 1.00 64.20 H new ATOM 0 HZ2 LYS A 111 3.984 -1.241 -6.505 1.00 64.20 H new ATOM 0 HZ3 LYS A 111 3.600 -0.239 -5.189 1.00 64.20 H new ATOM 1734 N ILE A 112 6.458 -3.697 -6.491 1.00 42.20 N ATOM 1735 CA ILE A 112 5.713 -4.451 -5.491 1.00 11.12 C ATOM 1736 C ILE A 112 6.640 -5.341 -4.670 1.00 71.22 C ATOM 1737 O ILE A 112 6.475 -5.476 -3.458 1.00 2.34 O ATOM 1738 CB ILE A 112 4.623 -5.324 -6.141 1.00 25.33 C ATOM 1739 CG1 ILE A 112 3.681 -4.461 -6.981 1.00 53.41 C ATOM 1740 CG2 ILE A 112 3.847 -6.083 -5.075 1.00 12.33 C ATOM 1741 CD1 ILE A 112 2.771 -5.263 -7.885 1.00 12.32 C ATOM 0 H ILE A 112 6.152 -3.853 -7.451 1.00 42.20 H new ATOM 0 HA ILE A 112 5.239 -3.722 -4.834 1.00 11.12 H new ATOM 0 HB ILE A 112 5.103 -6.049 -6.798 1.00 25.33 H new ATOM 0 HG12 ILE A 112 3.072 -3.849 -6.316 1.00 53.41 H new ATOM 0 HG13 ILE A 112 4.273 -3.777 -7.589 1.00 53.41 H new ATOM 0 HG21 ILE A 112 3.080 -6.695 -5.550 1.00 12.33 H new ATOM 0 HG22 ILE A 112 4.529 -6.724 -4.516 1.00 12.33 H new ATOM 0 HG23 ILE A 112 3.375 -5.374 -4.395 1.00 12.33 H new ATOM 0 HD11 ILE A 112 2.131 -4.586 -8.451 1.00 12.32 H new ATOM 0 HD12 ILE A 112 3.373 -5.854 -8.575 1.00 12.32 H new ATOM 0 HD13 ILE A 112 2.153 -5.928 -7.282 1.00 12.32 H new ATOM 1753 N ASP A 113 7.616 -5.946 -5.339 1.00 55.42 N ATOM 1754 CA ASP A 113 8.572 -6.821 -4.672 1.00 32.23 C ATOM 1755 C ASP A 113 9.341 -6.064 -3.594 1.00 21.35 C ATOM 1756 O ASP A 113 9.424 -6.508 -2.449 1.00 34.22 O ATOM 1757 CB ASP A 113 9.547 -7.416 -5.689 1.00 31.33 C ATOM 1758 CG ASP A 113 9.216 -8.855 -6.035 1.00 10.30 C ATOM 1759 OD1 ASP A 113 8.016 -9.170 -6.176 1.00 40.52 O ATOM 1760 OD2 ASP A 113 10.157 -9.666 -6.164 1.00 10.10 O ATOM 0 H ASP A 113 7.765 -5.846 -6.343 1.00 55.42 H new ATOM 0 HA ASP A 113 8.017 -7.630 -4.197 1.00 32.23 H new ATOM 0 HB2 ASP A 113 9.532 -6.814 -6.598 1.00 31.33 H new ATOM 0 HB3 ASP A 113 10.560 -7.365 -5.290 1.00 31.33 H new ATOM 1765 N ALA A 114 9.903 -4.920 -3.968 1.00 43.21 N ATOM 1766 CA ALA A 114 10.665 -4.101 -3.033 1.00 50.03 C ATOM 1767 C ALA A 114 9.776 -3.582 -1.908 1.00 24.22 C ATOM 1768 O ALA A 114 10.207 -3.484 -0.759 1.00 23.45 O ATOM 1769 CB ALA A 114 11.325 -2.941 -3.764 1.00 63.31 C ATOM 0 H ALA A 114 9.845 -4.539 -4.912 1.00 43.21 H new ATOM 0 HA ALA A 114 11.441 -4.725 -2.590 1.00 50.03 H new ATOM 0 HB1 ALA A 114 11.891 -2.338 -3.054 1.00 63.31 H new ATOM 0 HB2 ALA A 114 11.999 -3.329 -4.528 1.00 63.31 H new ATOM 0 HB3 ALA A 114 10.559 -2.324 -4.234 1.00 63.31 H new ATOM 1775 N TYR A 115 8.535 -3.250 -2.245 1.00 63.55 N ATOM 1776 CA TYR A 115 7.587 -2.738 -1.263 1.00 70.44 C ATOM 1777 C TYR A 115 7.512 -3.657 -0.048 1.00 31.41 C ATOM 1778 O TYR A 115 7.557 -3.199 1.094 1.00 33.11 O ATOM 1779 CB TYR A 115 6.200 -2.591 -1.891 1.00 41.35 C ATOM 1780 CG TYR A 115 5.110 -2.287 -0.888 1.00 63.43 C ATOM 1781 CD1 TYR A 115 5.315 -1.369 0.134 1.00 64.11 C ATOM 1782 CD2 TYR A 115 3.875 -2.919 -0.963 1.00 53.25 C ATOM 1783 CE1 TYR A 115 4.323 -1.090 1.053 1.00 53.30 C ATOM 1784 CE2 TYR A 115 2.876 -2.644 -0.050 1.00 34.54 C ATOM 1785 CZ TYR A 115 3.105 -1.730 0.957 1.00 54.30 C ATOM 1786 OH TYR A 115 2.113 -1.453 1.870 1.00 73.03 O ATOM 0 H TYR A 115 8.162 -3.326 -3.191 1.00 63.55 H new ATOM 0 HA TYR A 115 7.936 -1.759 -0.935 1.00 70.44 H new ATOM 0 HB2 TYR A 115 6.230 -1.795 -2.635 1.00 41.35 H new ATOM 0 HB3 TYR A 115 5.950 -3.511 -2.419 1.00 41.35 H new ATOM 0 HD1 TYR A 115 6.267 -0.865 0.211 1.00 64.11 H new ATOM 0 HD2 TYR A 115 3.693 -3.637 -1.749 1.00 53.25 H new ATOM 0 HE1 TYR A 115 4.500 -0.375 1.843 1.00 53.30 H new ATOM 0 HE2 TYR A 115 1.921 -3.142 -0.124 1.00 34.54 H new ATOM 0 HH TYR A 115 1.318 -1.987 1.661 1.00 73.03 H new ATOM 1796 N ILE A 116 7.398 -4.956 -0.303 1.00 30.41 N ATOM 1797 CA ILE A 116 7.318 -5.941 0.769 1.00 5.33 C ATOM 1798 C ILE A 116 8.649 -6.062 1.504 1.00 1.22 C ATOM 1799 O ILE A 116 8.684 -6.254 2.720 1.00 74.15 O ATOM 1800 CB ILE A 116 6.913 -7.326 0.233 1.00 63.24 C ATOM 1801 CG1 ILE A 116 5.603 -7.230 -0.552 1.00 64.23 C ATOM 1802 CG2 ILE A 116 6.780 -8.319 1.377 1.00 35.35 C ATOM 1803 CD1 ILE A 116 4.443 -6.712 0.269 1.00 65.20 C ATOM 0 H ILE A 116 7.359 -5.351 -1.243 1.00 30.41 H new ATOM 0 HA ILE A 116 6.553 -5.591 1.462 1.00 5.33 H new ATOM 0 HB ILE A 116 7.693 -7.681 -0.441 1.00 63.24 H new ATOM 0 HG12 ILE A 116 5.751 -6.575 -1.411 1.00 64.23 H new ATOM 0 HG13 ILE A 116 5.350 -8.216 -0.942 1.00 64.23 H new ATOM 0 HG21 ILE A 116 6.493 -9.293 0.982 1.00 35.35 H new ATOM 0 HG22 ILE A 116 7.734 -8.405 1.897 1.00 35.35 H new ATOM 0 HG23 ILE A 116 6.017 -7.971 2.074 1.00 35.35 H new ATOM 0 HD11 ILE A 116 3.548 -6.670 -0.352 1.00 65.20 H new ATOM 0 HD12 ILE A 116 4.268 -7.379 1.113 1.00 65.20 H new ATOM 0 HD13 ILE A 116 4.676 -5.713 0.638 1.00 65.20 H new ATOM 1815 N SER A 117 9.743 -5.946 0.758 1.00 24.25 N ATOM 1816 CA SER A 117 11.078 -6.045 1.339 1.00 54.44 C ATOM 1817 C SER A 117 11.280 -4.986 2.418 1.00 31.15 C ATOM 1818 O SER A 117 12.044 -5.186 3.362 1.00 1.01 O ATOM 1819 CB SER A 117 12.142 -5.890 0.251 1.00 43.21 C ATOM 1820 OG SER A 117 12.810 -7.117 0.013 1.00 41.25 O ATOM 0 H SER A 117 9.732 -5.784 -0.249 1.00 24.25 H new ATOM 0 HA SER A 117 11.177 -7.029 1.797 1.00 54.44 H new ATOM 0 HB2 SER A 117 11.676 -5.541 -0.671 1.00 43.21 H new ATOM 0 HB3 SER A 117 12.865 -5.131 0.550 1.00 43.21 H new ATOM 0 HG SER A 117 13.484 -6.992 -0.688 1.00 41.25 H new ATOM 1826 N GLN A 118 10.589 -3.860 2.271 1.00 21.23 N ATOM 1827 CA GLN A 118 10.693 -2.769 3.233 1.00 22.44 C ATOM 1828 C GLN A 118 9.320 -2.391 3.778 1.00 31.22 C ATOM 1829 O GLN A 118 8.808 -1.306 3.503 1.00 2.31 O ATOM 1830 CB GLN A 118 11.351 -1.550 2.585 1.00 62.32 C ATOM 1831 CG GLN A 118 10.654 -1.086 1.316 1.00 1.43 C ATOM 1832 CD GLN A 118 11.627 -0.600 0.260 1.00 1.11 C ATOM 1833 OE1 GLN A 118 11.495 0.509 -0.260 1.00 33.53 O ATOM 1834 NE2 GLN A 118 12.613 -1.429 -0.063 1.00 53.13 N ATOM 0 H GLN A 118 9.952 -3.679 1.495 1.00 21.23 H new ATOM 0 HA GLN A 118 11.312 -3.108 4.063 1.00 22.44 H new ATOM 0 HB2 GLN A 118 11.364 -0.730 3.303 1.00 62.32 H new ATOM 0 HB3 GLN A 118 12.389 -1.788 2.353 1.00 62.32 H new ATOM 0 HG2 GLN A 118 10.063 -1.907 0.910 1.00 1.43 H new ATOM 0 HG3 GLN A 118 9.959 -0.283 1.561 1.00 1.43 H new ATOM 0 HE21 GLN A 118 12.685 -2.339 0.393 1.00 53.13 H new ATOM 0 HE22 GLN A 118 13.299 -1.156 -0.767 1.00 53.13 H new ATOM 1843 N LYS A 119 8.727 -3.294 4.552 1.00 10.34 N ATOM 1844 CA LYS A 119 7.413 -3.056 5.137 1.00 12.44 C ATOM 1845 C LYS A 119 7.539 -2.524 6.562 1.00 65.34 C ATOM 1846 O LYS A 119 6.776 -1.654 6.980 1.00 2.24 O ATOM 1847 CB LYS A 119 6.589 -4.345 5.134 1.00 21.33 C ATOM 1848 CG LYS A 119 5.722 -4.511 3.898 1.00 44.50 C ATOM 1849 CD LYS A 119 5.096 -5.893 3.837 1.00 34.41 C ATOM 1850 CE LYS A 119 3.580 -5.823 3.940 1.00 33.33 C ATOM 1851 NZ LYS A 119 3.022 -6.971 4.709 1.00 45.33 N ATOM 0 H LYS A 119 9.136 -4.198 4.789 1.00 10.34 H new ATOM 0 HA LYS A 119 6.905 -2.306 4.531 1.00 12.44 H new ATOM 0 HB2 LYS A 119 7.264 -5.198 5.211 1.00 21.33 H new ATOM 0 HB3 LYS A 119 5.952 -4.361 6.019 1.00 21.33 H new ATOM 0 HG2 LYS A 119 4.937 -3.755 3.899 1.00 44.50 H new ATOM 0 HG3 LYS A 119 6.324 -4.344 3.005 1.00 44.50 H new ATOM 0 HD2 LYS A 119 5.376 -6.380 2.903 1.00 34.41 H new ATOM 0 HD3 LYS A 119 5.489 -6.508 4.647 1.00 34.41 H new ATOM 0 HE2 LYS A 119 3.292 -4.889 4.422 1.00 33.33 H new ATOM 0 HE3 LYS A 119 3.148 -5.812 2.939 1.00 33.33 H new ATOM 0 HZ1 LYS A 119 1.987 -6.887 4.757 1.00 45.33 H new ATOM 0 HZ2 LYS A 119 3.275 -7.862 4.236 1.00 45.33 H new ATOM 0 HZ3 LYS A 119 3.414 -6.967 5.672 1.00 45.33 H new ATOM 1865 N VAL A 120 8.509 -3.053 7.302 1.00 42.34 N ATOM 1866 CA VAL A 120 8.737 -2.630 8.678 1.00 4.41 C ATOM 1867 C VAL A 120 9.604 -1.376 8.731 1.00 34.12 C ATOM 1868 O VAL A 120 9.644 -0.679 9.744 1.00 20.33 O ATOM 1869 CB VAL A 120 9.412 -3.742 9.503 1.00 41.14 C ATOM 1870 CG1 VAL A 120 10.832 -3.984 9.013 1.00 53.53 C ATOM 1871 CG2 VAL A 120 9.403 -3.388 10.982 1.00 11.10 C ATOM 0 H VAL A 120 9.149 -3.775 6.971 1.00 42.34 H new ATOM 0 HA VAL A 120 7.759 -2.411 9.108 1.00 4.41 H new ATOM 0 HB VAL A 120 8.845 -4.664 9.370 1.00 41.14 H new ATOM 0 HG11 VAL A 120 11.293 -4.773 9.608 1.00 53.53 H new ATOM 0 HG12 VAL A 120 10.809 -4.286 7.966 1.00 53.53 H new ATOM 0 HG13 VAL A 120 11.413 -3.067 9.114 1.00 53.53 H new ATOM 0 HG21 VAL A 120 9.884 -4.185 11.550 1.00 11.10 H new ATOM 0 HG22 VAL A 120 9.945 -2.455 11.136 1.00 11.10 H new ATOM 0 HG23 VAL A 120 8.374 -3.271 11.322 1.00 11.10 H new ATOM 1881 N GLY A 121 10.296 -1.095 7.632 1.00 40.55 N ATOM 1882 CA GLY A 121 11.152 0.076 7.573 1.00 24.44 C ATOM 1883 C GLY A 121 10.367 1.371 7.616 1.00 40.53 C ATOM 1884 O GLY A 121 10.558 2.192 8.512 1.00 41.31 O ATOM 0 H GLY A 121 10.280 -1.657 6.781 1.00 40.55 H new ATOM 0 HA2 GLY A 121 11.853 0.052 8.407 1.00 24.44 H new ATOM 0 HA3 GLY A 121 11.744 0.044 6.658 1.00 24.44 H new ATOM 1888 N GLY A 122 9.481 1.557 6.642 1.00 71.02 N ATOM 1889 CA GLY A 122 8.679 2.765 6.589 1.00 13.11 C ATOM 1890 C GLY A 122 7.971 2.933 5.259 1.00 12.53 C ATOM 1891 O GLY A 122 7.831 4.050 4.759 1.00 43.24 O ATOM 0 H GLY A 122 9.305 0.892 5.889 1.00 71.02 H new ATOM 0 HA2 GLY A 122 7.940 2.742 7.390 1.00 13.11 H new ATOM 0 HA3 GLY A 122 9.318 3.630 6.769 1.00 13.11 H new ATOM 1895 N LEU A 123 7.524 1.823 4.684 1.00 32.42 N ATOM 1896 CA LEU A 123 6.828 1.851 3.403 1.00 54.34 C ATOM 1897 C LEU A 123 5.444 1.219 3.520 1.00 2.51 C ATOM 1898 O LEU A 123 4.490 1.672 2.889 1.00 33.11 O ATOM 1899 CB LEU A 123 7.647 1.119 2.338 1.00 34.23 C ATOM 1900 CG LEU A 123 7.605 1.715 0.931 1.00 53.11 C ATOM 1901 CD1 LEU A 123 8.280 3.078 0.908 1.00 30.51 C ATOM 1902 CD2 LEU A 123 8.264 0.774 -0.067 1.00 1.12 C ATOM 0 H LEU A 123 7.631 0.891 5.085 1.00 32.42 H new ATOM 0 HA LEU A 123 6.707 2.893 3.107 1.00 54.34 H new ATOM 0 HB2 LEU A 123 8.686 1.087 2.666 1.00 34.23 H new ATOM 0 HB3 LEU A 123 7.297 0.088 2.285 1.00 34.23 H new ATOM 0 HG LEU A 123 6.562 1.844 0.643 1.00 53.11 H new ATOM 0 HD11 LEU A 123 8.240 3.487 -0.102 1.00 30.51 H new ATOM 0 HD12 LEU A 123 7.764 3.751 1.592 1.00 30.51 H new ATOM 0 HD13 LEU A 123 9.320 2.974 1.217 1.00 30.51 H new ATOM 0 HD21 LEU A 123 8.225 1.215 -1.063 1.00 1.12 H new ATOM 0 HD22 LEU A 123 9.304 0.612 0.217 1.00 1.12 H new ATOM 0 HD23 LEU A 123 7.736 -0.180 -0.071 1.00 1.12 H new ATOM 1914 N GLU A 124 5.344 0.173 4.334 1.00 64.13 N ATOM 1915 CA GLU A 124 4.077 -0.520 4.534 1.00 11.55 C ATOM 1916 C GLU A 124 2.971 0.466 4.902 1.00 21.45 C ATOM 1917 O GLU A 124 3.242 1.573 5.366 1.00 21.32 O ATOM 1918 CB GLU A 124 4.217 -1.579 5.630 1.00 52.40 C ATOM 1919 CG GLU A 124 2.911 -2.276 5.972 1.00 23.52 C ATOM 1920 CD GLU A 124 2.307 -1.780 7.271 1.00 4.24 C ATOM 1921 OE1 GLU A 124 2.679 -2.309 8.340 1.00 74.35 O ATOM 1922 OE2 GLU A 124 1.463 -0.861 7.219 1.00 2.23 O ATOM 0 H GLU A 124 6.125 -0.213 4.865 1.00 64.13 H new ATOM 0 HA GLU A 124 3.808 -1.010 3.598 1.00 11.55 H new ATOM 0 HB2 GLU A 124 4.945 -2.325 5.312 1.00 52.40 H new ATOM 0 HB3 GLU A 124 4.615 -1.109 6.529 1.00 52.40 H new ATOM 0 HG2 GLU A 124 2.198 -2.121 5.162 1.00 23.52 H new ATOM 0 HG3 GLU A 124 3.085 -3.350 6.043 1.00 23.52 H new