USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 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 31 SER OG : rot 180:sc= -0.434 USER MOD Set 1.2: A 53 CYS SG : rot 122:sc= -0.206 USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -0.282 X(o=-1.4,f=-1.4) USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= -1.08 F(o=-2.6,f=-1.4) USER MOD Set 3.1: A 3 GLN :FLIP amide:sc= -0.188 F(o=-1.9,f=-1) USER MOD Set 3.2: A 4 ASN : amide:sc= -0.847 K(o=-1,f=-3.5!) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= -0.0226 USER MOD Set 4.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0112 (180deg=-0.198) USER MOD Single : A 6 GLN : amide:sc= -1.94 K(o=-1.9,f=-4.8!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 159:sc= -8.92! (180deg=-11.2!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 20 SER OG : rot -73:sc= 1.01 USER MOD Single : A 25 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.9) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -57:sc= 0.114 USER MOD Single : A 45 TYR OH : rot 43:sc= 0.0312 USER MOD Single : A 46 THR OG1 : rot -42:sc= 0.207 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -170:sc= -0.433 USER MOD Single : A 51 ASN : amide:sc= -2.79 K(o=-2.8,f=-9!) USER MOD Single : A 57 THR OG1 : rot -60:sc= 0.98 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 72 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= -0.0818 (180deg=-1.5) USER MOD Single : A 83 MET CE :methyl -144:sc= -5.31! (180deg=-9.36!) USER MOD Single : A 85 ASN : amide:sc= -0.647 K(o=-0.65,f=-1.6!) USER MOD Single : A 86 ASN : amide:sc= -0.0225 X(o=-0.022,f=-0.14) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00381 X(o=-0.0038,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -171:sc= 0.00691 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 115 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.150 0.573 0.863 1.00 33.22 N ATOM 2 CA MET A 1 -0.261 1.561 -0.203 1.00 44.15 C ATOM 3 C MET A 1 0.877 2.574 -0.126 1.00 0.34 C ATOM 4 O MET A 1 0.659 3.778 -0.262 1.00 40.02 O ATOM 5 CB MET A 1 -1.608 2.282 -0.123 1.00 24.13 C ATOM 6 CG MET A 1 -1.841 2.987 1.204 1.00 41.14 C ATOM 7 SD MET A 1 -3.199 2.265 2.145 1.00 63.12 S ATOM 8 CE MET A 1 -2.578 2.431 3.817 1.00 63.24 C ATOM 0 H1 MET A 1 -1.068 0.104 0.998 1.00 33.22 H new ATOM 0 H2 MET A 1 0.567 -0.136 0.606 1.00 33.22 H new ATOM 0 H3 MET A 1 0.131 1.045 1.746 1.00 33.22 H new ATOM 0 HA MET A 1 -0.194 1.038 -1.157 1.00 44.15 H new ATOM 0 HB2 MET A 1 -1.668 3.013 -0.929 1.00 24.13 H new ATOM 0 HB3 MET A 1 -2.408 1.560 -0.287 1.00 24.13 H new ATOM 0 HG2 MET A 1 -0.929 2.944 1.799 1.00 41.14 H new ATOM 0 HG3 MET A 1 -2.052 4.040 1.019 1.00 41.14 H new ATOM 0 HE1 MET A 1 -3.308 2.027 4.518 1.00 63.24 H new ATOM 0 HE2 MET A 1 -1.641 1.882 3.913 1.00 63.24 H new ATOM 0 HE3 MET A 1 -2.406 3.484 4.038 1.00 63.24 H new ATOM 18 N SER A 2 2.091 2.079 0.095 1.00 14.11 N ATOM 19 CA SER A 2 3.262 2.942 0.195 1.00 12.12 C ATOM 20 C SER A 2 3.091 3.962 1.317 1.00 31.32 C ATOM 21 O SER A 2 2.083 3.960 2.023 1.00 74.22 O ATOM 22 CB SER A 2 3.505 3.663 -1.132 1.00 1.20 C ATOM 23 OG SER A 2 3.034 2.893 -2.224 1.00 52.55 O ATOM 0 H SER A 2 2.289 1.085 0.208 1.00 14.11 H new ATOM 0 HA SER A 2 4.125 2.317 0.424 1.00 12.12 H new ATOM 0 HB2 SER A 2 3.003 4.630 -1.121 1.00 1.20 H new ATOM 0 HB3 SER A 2 4.570 3.859 -1.254 1.00 1.20 H new ATOM 0 HG SER A 2 3.199 3.376 -3.060 1.00 52.55 H new ATOM 29 N GLN A 3 4.084 4.831 1.475 1.00 70.14 N ATOM 30 CA GLN A 3 4.044 5.856 2.511 1.00 63.20 C ATOM 31 C GLN A 3 4.577 7.184 1.984 1.00 40.03 C ATOM 32 O GLN A 3 5.760 7.308 1.669 1.00 53.24 O ATOM 33 CB GLN A 3 4.859 5.413 3.727 1.00 21.24 C ATOM 34 CG GLN A 3 4.162 5.672 5.053 1.00 23.34 C ATOM 35 CD GLN A 3 3.474 7.022 5.097 1.00 31.32 C ATOM 36 OE1 GLN A 3 4.264 8.089 5.114 1.00 65.23 O flip ATOM 37 NE2 GLN A 3 2.245 7.105 5.116 1.00 32.02 N flip ATOM 0 H GLN A 3 4.926 4.846 0.899 1.00 70.14 H new ATOM 0 HA GLN A 3 3.005 5.995 2.809 1.00 63.20 H new ATOM 0 HB2 GLN A 3 5.075 4.348 3.641 1.00 21.24 H new ATOM 0 HB3 GLN A 3 5.817 5.934 3.722 1.00 21.24 H new ATOM 0 HG2 GLN A 3 3.426 4.888 5.232 1.00 23.34 H new ATOM 0 HG3 GLN A 3 4.892 5.614 5.860 1.00 23.34 H new ATOM 0 HE21 GLN A 3 1.676 6.258 5.102 1.00 32.02 H new ATOM 0 HE22 GLN A 3 1.796 8.020 5.146 1.00 32.02 H new ATOM 46 N ASN A 4 3.695 8.174 1.890 1.00 5.31 N ATOM 47 CA ASN A 4 4.077 9.494 1.400 1.00 63.32 C ATOM 48 C ASN A 4 4.897 10.246 2.444 1.00 61.22 C ATOM 49 O ASN A 4 4.383 11.123 3.138 1.00 74.03 O ATOM 50 CB ASN A 4 2.833 10.304 1.032 1.00 74.21 C ATOM 51 CG ASN A 4 1.767 10.248 2.110 1.00 42.32 C ATOM 52 OD1 ASN A 4 2.055 9.945 3.268 1.00 61.34 O ATOM 53 ND2 ASN A 4 0.528 10.542 1.732 1.00 23.25 N ATOM 0 H ASN A 4 2.712 8.087 2.146 1.00 5.31 H new ATOM 0 HA ASN A 4 4.691 9.360 0.510 1.00 63.32 H new ATOM 0 HB2 ASN A 4 3.117 11.342 0.859 1.00 74.21 H new ATOM 0 HB3 ASN A 4 2.420 9.926 0.097 1.00 74.21 H new ATOM 0 HD21 ASN A 4 -0.231 10.522 2.413 1.00 23.25 H new ATOM 0 HD22 ASN A 4 0.336 10.788 0.761 1.00 23.25 H new ATOM 60 N ARG A 5 6.175 9.896 2.549 1.00 50.32 N ATOM 61 CA ARG A 5 7.066 10.538 3.508 1.00 21.41 C ATOM 62 C ARG A 5 8.525 10.234 3.182 1.00 24.40 C ATOM 63 O ARG A 5 9.240 11.080 2.646 1.00 61.12 O ATOM 64 CB ARG A 5 6.742 10.071 4.928 1.00 31.14 C ATOM 65 CG ARG A 5 7.617 10.710 5.994 1.00 13.42 C ATOM 66 CD ARG A 5 7.406 10.060 7.352 1.00 35.24 C ATOM 67 NE ARG A 5 8.666 9.652 7.966 1.00 65.00 N ATOM 68 CZ ARG A 5 9.543 10.507 8.481 1.00 24.51 C ATOM 69 NH1 ARG A 5 9.297 11.809 8.457 1.00 44.10 N ATOM 70 NH2 ARG A 5 10.669 10.058 9.022 1.00 10.44 N ATOM 0 H ARG A 5 6.616 9.172 1.982 1.00 50.32 H new ATOM 0 HA ARG A 5 6.914 11.615 3.443 1.00 21.41 H new ATOM 0 HB2 ARG A 5 5.698 10.294 5.145 1.00 31.14 H new ATOM 0 HB3 ARG A 5 6.854 8.988 4.980 1.00 31.14 H new ATOM 0 HG2 ARG A 5 8.665 10.622 5.707 1.00 13.42 H new ATOM 0 HG3 ARG A 5 7.393 11.775 6.060 1.00 13.42 H new ATOM 0 HD2 ARG A 5 6.891 10.758 8.012 1.00 35.24 H new ATOM 0 HD3 ARG A 5 6.759 9.190 7.241 1.00 35.24 H new ATOM 0 HE ARG A 5 8.885 8.656 8.002 1.00 65.00 H new ATOM 0 HH11 ARG A 5 8.433 12.157 8.042 1.00 44.10 H new ATOM 0 HH12 ARG A 5 9.972 12.463 8.853 1.00 44.10 H new ATOM 0 HH21 ARG A 5 10.861 9.056 9.042 1.00 10.44 H new ATOM 0 HH22 ARG A 5 11.342 10.715 9.417 1.00 10.44 H new ATOM 84 N GLN A 6 8.960 9.021 3.510 1.00 15.01 N ATOM 85 CA GLN A 6 10.334 8.607 3.253 1.00 33.31 C ATOM 86 C GLN A 6 10.375 7.216 2.628 1.00 41.33 C ATOM 87 O GLN A 6 9.458 6.414 2.811 1.00 45.12 O ATOM 88 CB GLN A 6 11.144 8.620 4.551 1.00 72.35 C ATOM 89 CG GLN A 6 11.132 7.291 5.288 1.00 20.44 C ATOM 90 CD GLN A 6 9.729 6.815 5.612 1.00 4.20 C ATOM 91 OE1 GLN A 6 8.883 7.595 6.050 1.00 31.45 O ATOM 92 NE2 GLN A 6 9.475 5.530 5.397 1.00 64.31 N ATOM 0 H GLN A 6 8.381 8.308 3.954 1.00 15.01 H new ATOM 0 HA GLN A 6 10.775 9.314 2.551 1.00 33.31 H new ATOM 0 HB2 GLN A 6 12.175 8.891 4.324 1.00 72.35 H new ATOM 0 HB3 GLN A 6 10.749 9.394 5.209 1.00 72.35 H new ATOM 0 HG2 GLN A 6 11.635 6.539 4.681 1.00 20.44 H new ATOM 0 HG3 GLN A 6 11.701 7.388 6.213 1.00 20.44 H new ATOM 0 HE21 GLN A 6 10.207 4.920 5.033 1.00 64.31 H new ATOM 0 HE22 GLN A 6 8.548 5.153 5.596 1.00 64.31 H new ATOM 101 N LEU A 7 11.443 6.937 1.889 1.00 42.11 N ATOM 102 CA LEU A 7 11.604 5.643 1.235 1.00 23.24 C ATOM 103 C LEU A 7 12.716 4.834 1.896 1.00 20.11 C ATOM 104 O LEU A 7 13.835 5.320 2.067 1.00 51.12 O ATOM 105 CB LEU A 7 11.912 5.834 -0.251 1.00 14.42 C ATOM 106 CG LEU A 7 10.727 5.684 -1.206 1.00 1.11 C ATOM 107 CD1 LEU A 7 10.483 4.218 -1.528 1.00 25.24 C ATOM 108 CD2 LEU A 7 9.478 6.316 -0.610 1.00 33.13 C ATOM 0 H LEU A 7 12.210 7.589 1.728 1.00 42.11 H new ATOM 0 HA LEU A 7 10.668 5.093 1.338 1.00 23.24 H new ATOM 0 HB2 LEU A 7 12.340 6.827 -0.388 1.00 14.42 H new ATOM 0 HB3 LEU A 7 12.678 5.114 -0.538 1.00 14.42 H new ATOM 0 HG LEU A 7 10.965 6.204 -2.134 1.00 1.11 H new ATOM 0 HD11 LEU A 7 9.636 4.131 -2.209 1.00 25.24 H new ATOM 0 HD12 LEU A 7 11.371 3.796 -1.998 1.00 25.24 H new ATOM 0 HD13 LEU A 7 10.266 3.675 -0.608 1.00 25.24 H new ATOM 0 HD21 LEU A 7 8.645 6.200 -1.303 1.00 33.13 H new ATOM 0 HD22 LEU A 7 9.236 5.825 0.333 1.00 33.13 H new ATOM 0 HD23 LEU A 7 9.656 7.376 -0.432 1.00 33.13 H new ATOM 120 N LEU A 8 12.402 3.597 2.264 1.00 33.20 N ATOM 121 CA LEU A 8 13.375 2.718 2.904 1.00 12.42 C ATOM 122 C LEU A 8 14.670 2.663 2.100 1.00 11.14 C ATOM 123 O LEU A 8 15.712 3.140 2.550 1.00 63.11 O ATOM 124 CB LEU A 8 12.796 1.311 3.059 1.00 64.35 C ATOM 125 CG LEU A 8 13.393 0.459 4.180 1.00 52.30 C ATOM 126 CD1 LEU A 8 14.861 0.172 3.908 1.00 22.55 C ATOM 127 CD2 LEU A 8 13.223 1.153 5.524 1.00 71.31 C ATOM 0 H LEU A 8 11.481 3.180 2.130 1.00 33.20 H new ATOM 0 HA LEU A 8 13.599 3.122 3.891 1.00 12.42 H new ATOM 0 HB2 LEU A 8 11.723 1.398 3.228 1.00 64.35 H new ATOM 0 HB3 LEU A 8 12.928 0.780 2.116 1.00 64.35 H new ATOM 0 HG LEU A 8 12.859 -0.491 4.213 1.00 52.30 H new ATOM 0 HD11 LEU A 8 15.269 -0.435 4.716 1.00 22.55 H new ATOM 0 HD12 LEU A 8 14.958 -0.366 2.965 1.00 22.55 H new ATOM 0 HD13 LEU A 8 15.410 1.112 3.847 1.00 22.55 H new ATOM 0 HD21 LEU A 8 13.653 0.533 6.311 1.00 71.31 H new ATOM 0 HD22 LEU A 8 13.731 2.117 5.503 1.00 71.31 H new ATOM 0 HD23 LEU A 8 12.162 1.307 5.723 1.00 71.31 H new ATOM 139 N TYR A 9 14.596 2.080 0.909 1.00 2.30 N ATOM 140 CA TYR A 9 15.763 1.963 0.042 1.00 33.52 C ATOM 141 C TYR A 9 15.403 1.259 -1.263 1.00 31.23 C ATOM 142 O TYR A 9 15.689 0.078 -1.461 1.00 21.24 O ATOM 143 CB TYR A 9 16.879 1.198 0.756 1.00 43.53 C ATOM 144 CG TYR A 9 18.028 2.077 1.198 1.00 53.24 C ATOM 145 CD1 TYR A 9 18.688 2.898 0.292 1.00 4.34 C ATOM 146 CD2 TYR A 9 18.451 2.087 2.521 1.00 63.20 C ATOM 147 CE1 TYR A 9 19.739 3.702 0.692 1.00 54.12 C ATOM 148 CE2 TYR A 9 19.500 2.888 2.930 1.00 54.44 C ATOM 149 CZ TYR A 9 20.140 3.694 2.011 1.00 23.23 C ATOM 150 OH TYR A 9 21.185 4.494 2.413 1.00 0.13 O ATOM 0 H TYR A 9 13.741 1.681 0.522 1.00 2.30 H new ATOM 0 HA TYR A 9 16.113 2.968 -0.193 1.00 33.52 H new ATOM 0 HB2 TYR A 9 16.462 0.693 1.628 1.00 43.53 H new ATOM 0 HB3 TYR A 9 17.260 0.423 0.091 1.00 43.53 H new ATOM 0 HD1 TYR A 9 18.375 2.908 -0.742 1.00 4.34 H new ATOM 0 HD2 TYR A 9 17.951 1.458 3.243 1.00 63.20 H new ATOM 0 HE1 TYR A 9 20.243 4.333 -0.025 1.00 54.12 H new ATOM 0 HE2 TYR A 9 19.817 2.883 3.962 1.00 54.44 H new ATOM 0 HH TYR A 9 21.341 4.371 3.373 1.00 0.13 H new ATOM 160 N PRO A 10 14.760 2.001 -2.176 1.00 40.23 N ATOM 161 CA PRO A 10 14.348 1.471 -3.479 1.00 73.02 C ATOM 162 C PRO A 10 15.535 1.196 -4.395 1.00 62.33 C ATOM 163 O PRO A 10 16.295 2.104 -4.732 1.00 22.03 O ATOM 164 CB PRO A 10 13.475 2.588 -4.057 1.00 34.15 C ATOM 165 CG PRO A 10 13.956 3.829 -3.388 1.00 43.10 C ATOM 166 CD PRO A 10 14.387 3.416 -2.008 1.00 33.42 C ATOM 0 HA PRO A 10 13.834 0.514 -3.385 1.00 73.02 H new ATOM 0 HB2 PRO A 10 13.583 2.655 -5.140 1.00 34.15 H new ATOM 0 HB3 PRO A 10 12.419 2.411 -3.852 1.00 34.15 H new ATOM 0 HG2 PRO A 10 14.785 4.273 -3.939 1.00 43.10 H new ATOM 0 HG3 PRO A 10 13.166 4.579 -3.342 1.00 43.10 H new ATOM 0 HD2 PRO A 10 15.227 4.014 -1.654 1.00 33.42 H new ATOM 0 HD3 PRO A 10 13.582 3.536 -1.283 1.00 33.42 H new ATOM 174 N ARG A 11 15.689 -0.062 -4.796 1.00 33.22 N ATOM 175 CA ARG A 11 16.785 -0.456 -5.673 1.00 34.54 C ATOM 176 C ARG A 11 16.677 -1.931 -6.048 1.00 74.44 C ATOM 177 O ARG A 11 16.974 -2.317 -7.179 1.00 11.35 O ATOM 178 CB ARG A 11 18.130 -0.189 -4.995 1.00 32.11 C ATOM 179 CG ARG A 11 18.163 -0.588 -3.529 1.00 12.25 C ATOM 180 CD ARG A 11 19.560 -1.005 -3.096 1.00 74.42 C ATOM 181 NE ARG A 11 19.528 -1.981 -2.010 1.00 14.12 N ATOM 182 CZ ARG A 11 20.602 -2.348 -1.320 1.00 14.25 C ATOM 183 NH1 ARG A 11 21.786 -1.823 -1.601 1.00 51.51 N ATOM 184 NH2 ARG A 11 20.492 -3.242 -0.345 1.00 0.51 N ATOM 0 H ARG A 11 15.068 -0.826 -4.527 1.00 33.22 H new ATOM 0 HA ARG A 11 16.720 0.139 -6.584 1.00 34.54 H new ATOM 0 HB2 ARG A 11 18.910 -0.732 -5.528 1.00 32.11 H new ATOM 0 HB3 ARG A 11 18.366 0.872 -5.079 1.00 32.11 H new ATOM 0 HG2 ARG A 11 17.825 0.247 -2.916 1.00 12.25 H new ATOM 0 HG3 ARG A 11 17.468 -1.410 -3.359 1.00 12.25 H new ATOM 0 HD2 ARG A 11 20.092 -1.428 -3.948 1.00 74.42 H new ATOM 0 HD3 ARG A 11 20.118 -0.125 -2.776 1.00 74.42 H new ATOM 0 HE ARG A 11 18.632 -2.404 -1.768 1.00 14.12 H new ATOM 0 HH11 ARG A 11 21.874 -1.135 -2.349 1.00 51.51 H new ATOM 0 HH12 ARG A 11 22.609 -2.107 -1.069 1.00 51.51 H new ATOM 0 HH21 ARG A 11 19.582 -3.648 -0.125 1.00 0.51 H new ATOM 0 HH22 ARG A 11 21.317 -3.523 0.184 1.00 0.51 H new ATOM 198 N GLU A 12 16.250 -2.751 -5.092 1.00 53.34 N ATOM 199 CA GLU A 12 16.104 -4.183 -5.324 1.00 22.14 C ATOM 200 C GLU A 12 15.232 -4.451 -6.547 1.00 45.12 C ATOM 201 O GLU A 12 15.389 -5.468 -7.222 1.00 13.20 O ATOM 202 CB GLU A 12 15.498 -4.862 -4.093 1.00 50.35 C ATOM 203 CG GLU A 12 16.144 -6.194 -3.753 1.00 62.10 C ATOM 204 CD GLU A 12 15.738 -6.707 -2.385 1.00 74.12 C ATOM 205 OE1 GLU A 12 14.805 -6.130 -1.788 1.00 21.43 O ATOM 206 OE2 GLU A 12 16.353 -7.686 -1.913 1.00 34.04 O ATOM 0 H GLU A 12 16.000 -2.448 -4.151 1.00 53.34 H new ATOM 0 HA GLU A 12 17.095 -4.598 -5.509 1.00 22.14 H new ATOM 0 HB2 GLU A 12 15.591 -4.194 -3.237 1.00 50.35 H new ATOM 0 HB3 GLU A 12 14.432 -5.017 -4.262 1.00 50.35 H new ATOM 0 HG2 GLU A 12 15.870 -6.930 -4.509 1.00 62.10 H new ATOM 0 HG3 GLU A 12 17.228 -6.088 -3.790 1.00 62.10 H new ATOM 213 N GLU A 13 14.314 -3.531 -6.825 1.00 43.43 N ATOM 214 CA GLU A 13 13.417 -3.668 -7.966 1.00 71.34 C ATOM 215 C GLU A 13 14.061 -3.117 -9.235 1.00 64.00 C ATOM 216 O GLU A 13 13.864 -3.651 -10.326 1.00 40.32 O ATOM 217 CB GLU A 13 12.097 -2.944 -7.696 1.00 13.35 C ATOM 218 CG GLU A 13 11.667 -2.985 -6.239 1.00 24.24 C ATOM 219 CD GLU A 13 11.937 -1.681 -5.513 1.00 64.15 C ATOM 220 OE1 GLU A 13 13.048 -1.528 -4.963 1.00 31.33 O ATOM 221 OE2 GLU A 13 11.039 -0.814 -5.496 1.00 61.04 O ATOM 0 H GLU A 13 14.172 -2.683 -6.276 1.00 43.43 H new ATOM 0 HA GLU A 13 13.218 -4.730 -8.112 1.00 71.34 H new ATOM 0 HB2 GLU A 13 12.192 -1.904 -8.009 1.00 13.35 H new ATOM 0 HB3 GLU A 13 11.315 -3.391 -8.310 1.00 13.35 H new ATOM 0 HG2 GLU A 13 10.602 -3.213 -6.185 1.00 24.24 H new ATOM 0 HG3 GLU A 13 12.192 -3.794 -5.732 1.00 24.24 H new ATOM 228 N MET A 14 14.832 -2.045 -9.082 1.00 70.14 N ATOM 229 CA MET A 14 15.506 -1.421 -10.215 1.00 61.53 C ATOM 230 C MET A 14 16.283 -2.457 -11.023 1.00 12.42 C ATOM 231 O MET A 14 16.330 -2.392 -12.251 1.00 72.43 O ATOM 232 CB MET A 14 16.452 -0.321 -9.731 1.00 21.14 C ATOM 233 CG MET A 14 15.743 0.822 -9.024 1.00 13.51 C ATOM 234 SD MET A 14 15.347 2.186 -10.135 1.00 13.43 S ATOM 235 CE MET A 14 13.977 1.488 -11.054 1.00 1.03 C ATOM 0 H MET A 14 15.005 -1.591 -8.185 1.00 70.14 H new ATOM 0 HA MET A 14 14.746 -0.979 -10.859 1.00 61.53 H new ATOM 0 HB2 MET A 14 17.186 -0.757 -9.054 1.00 21.14 H new ATOM 0 HB3 MET A 14 17.002 0.076 -10.585 1.00 21.14 H new ATOM 0 HG2 MET A 14 14.825 0.450 -8.570 1.00 13.51 H new ATOM 0 HG3 MET A 14 16.373 1.189 -8.214 1.00 13.51 H new ATOM 0 HE1 MET A 14 13.390 2.292 -11.499 1.00 1.03 H new ATOM 0 HE2 MET A 14 14.360 0.840 -11.842 1.00 1.03 H new ATOM 0 HE3 MET A 14 13.346 0.907 -10.381 1.00 1.03 H new ATOM 245 N VAL A 15 16.891 -3.410 -10.325 1.00 23.33 N ATOM 246 CA VAL A 15 17.665 -4.460 -10.977 1.00 43.41 C ATOM 247 C VAL A 15 16.752 -5.483 -11.642 1.00 61.32 C ATOM 248 O VAL A 15 17.117 -6.097 -12.645 1.00 53.31 O ATOM 249 CB VAL A 15 18.586 -5.183 -9.976 1.00 52.21 C ATOM 250 CG1 VAL A 15 19.675 -4.245 -9.478 1.00 15.23 C ATOM 251 CG2 VAL A 15 17.776 -5.739 -8.814 1.00 44.42 C ATOM 0 H VAL A 15 16.863 -3.477 -9.308 1.00 23.33 H new ATOM 0 HA VAL A 15 18.278 -3.976 -11.738 1.00 43.41 H new ATOM 0 HB VAL A 15 19.066 -6.018 -10.487 1.00 52.21 H new ATOM 0 HG11 VAL A 15 20.316 -4.773 -8.772 1.00 15.23 H new ATOM 0 HG12 VAL A 15 20.272 -3.900 -10.322 1.00 15.23 H new ATOM 0 HG13 VAL A 15 19.219 -3.388 -8.983 1.00 15.23 H new ATOM 0 HG21 VAL A 15 18.442 -6.247 -8.116 1.00 44.42 H new ATOM 0 HG22 VAL A 15 17.267 -4.923 -8.301 1.00 44.42 H new ATOM 0 HG23 VAL A 15 17.038 -6.447 -9.191 1.00 44.42 H new ATOM 261 N SER A 16 15.562 -5.662 -11.077 1.00 25.41 N ATOM 262 CA SER A 16 14.597 -6.615 -11.613 1.00 40.31 C ATOM 263 C SER A 16 14.276 -6.300 -13.071 1.00 62.31 C ATOM 264 O SER A 16 14.287 -7.187 -13.927 1.00 10.45 O ATOM 265 CB SER A 16 13.313 -6.595 -10.781 1.00 24.01 C ATOM 266 OG SER A 16 13.587 -6.857 -9.415 1.00 73.44 O ATOM 0 H SER A 16 15.243 -5.160 -10.248 1.00 25.41 H new ATOM 0 HA SER A 16 15.039 -7.610 -11.563 1.00 40.31 H new ATOM 0 HB2 SER A 16 12.828 -5.624 -10.878 1.00 24.01 H new ATOM 0 HB3 SER A 16 12.615 -7.340 -11.165 1.00 24.01 H new ATOM 0 HG SER A 16 12.751 -6.837 -8.904 1.00 73.44 H new ATOM 272 N LEU A 17 13.991 -5.033 -13.347 1.00 51.33 N ATOM 273 CA LEU A 17 13.667 -4.599 -14.702 1.00 34.01 C ATOM 274 C LEU A 17 14.729 -5.066 -15.692 1.00 74.32 C ATOM 275 O LEU A 17 14.422 -5.740 -16.676 1.00 32.34 O ATOM 276 CB LEU A 17 13.539 -3.076 -14.754 1.00 44.41 C ATOM 277 CG LEU A 17 12.463 -2.461 -13.859 1.00 53.12 C ATOM 278 CD1 LEU A 17 11.330 -3.450 -13.631 1.00 1.33 C ATOM 279 CD2 LEU A 17 13.061 -2.017 -12.532 1.00 44.05 C ATOM 0 H LEU A 17 13.977 -4.287 -12.651 1.00 51.33 H new ATOM 0 HA LEU A 17 12.714 -5.047 -14.982 1.00 34.01 H new ATOM 0 HB2 LEU A 17 14.501 -2.641 -14.482 1.00 44.41 H new ATOM 0 HB3 LEU A 17 13.337 -2.784 -15.784 1.00 44.41 H new ATOM 0 HG LEU A 17 12.057 -1.584 -14.362 1.00 53.12 H new ATOM 0 HD11 LEU A 17 10.573 -2.995 -12.992 1.00 1.33 H new ATOM 0 HD12 LEU A 17 10.883 -3.718 -14.588 1.00 1.33 H new ATOM 0 HD13 LEU A 17 11.721 -4.346 -13.149 1.00 1.33 H new ATOM 0 HD21 LEU A 17 12.280 -1.582 -11.908 1.00 44.05 H new ATOM 0 HD22 LEU A 17 13.495 -2.877 -12.022 1.00 44.05 H new ATOM 0 HD23 LEU A 17 13.837 -1.273 -12.713 1.00 44.05 H new ATOM 291 N VAL A 18 15.980 -4.705 -15.425 1.00 34.45 N ATOM 292 CA VAL A 18 17.088 -5.090 -16.290 1.00 21.31 C ATOM 293 C VAL A 18 17.066 -6.587 -16.578 1.00 23.31 C ATOM 294 O VAL A 18 17.274 -7.014 -17.714 1.00 34.32 O ATOM 295 CB VAL A 18 18.445 -4.719 -15.663 1.00 30.03 C ATOM 296 CG1 VAL A 18 19.546 -5.621 -16.199 1.00 42.34 C ATOM 297 CG2 VAL A 18 18.769 -3.256 -15.922 1.00 51.45 C ATOM 0 H VAL A 18 16.251 -4.146 -14.616 1.00 34.45 H new ATOM 0 HA VAL A 18 16.966 -4.541 -17.224 1.00 21.31 H new ATOM 0 HB VAL A 18 18.380 -4.868 -14.585 1.00 30.03 H new ATOM 0 HG11 VAL A 18 20.497 -5.344 -15.745 1.00 42.34 H new ATOM 0 HG12 VAL A 18 19.317 -6.659 -15.956 1.00 42.34 H new ATOM 0 HG13 VAL A 18 19.614 -5.508 -17.281 1.00 42.34 H new ATOM 0 HG21 VAL A 18 19.731 -3.011 -15.472 1.00 51.45 H new ATOM 0 HG22 VAL A 18 18.815 -3.078 -16.996 1.00 51.45 H new ATOM 0 HG23 VAL A 18 17.993 -2.628 -15.483 1.00 51.45 H new ATOM 307 N ARG A 19 16.814 -7.380 -15.542 1.00 15.05 N ATOM 308 CA ARG A 19 16.765 -8.830 -15.683 1.00 22.21 C ATOM 309 C ARG A 19 15.650 -9.247 -16.637 1.00 52.42 C ATOM 310 O ARG A 19 15.751 -10.267 -17.318 1.00 74.02 O ATOM 311 CB ARG A 19 16.557 -9.490 -14.319 1.00 35.24 C ATOM 312 CG ARG A 19 17.551 -9.035 -13.263 1.00 63.13 C ATOM 313 CD ARG A 19 18.302 -10.212 -12.661 1.00 61.30 C ATOM 314 NE ARG A 19 17.458 -11.001 -11.768 1.00 75.21 N ATOM 315 CZ ARG A 19 17.857 -12.123 -11.180 1.00 32.32 C ATOM 316 NH1 ARG A 19 19.082 -12.586 -11.389 1.00 13.44 N ATOM 317 NH2 ARG A 19 17.030 -12.785 -10.380 1.00 60.13 N ATOM 0 H ARG A 19 16.641 -7.042 -14.595 1.00 15.05 H new ATOM 0 HA ARG A 19 17.717 -9.161 -16.098 1.00 22.21 H new ATOM 0 HB2 ARG A 19 15.547 -9.275 -13.971 1.00 35.24 H new ATOM 0 HB3 ARG A 19 16.631 -10.571 -14.433 1.00 35.24 H new ATOM 0 HG2 ARG A 19 18.261 -8.337 -13.707 1.00 63.13 H new ATOM 0 HG3 ARG A 19 17.025 -8.496 -12.475 1.00 63.13 H new ATOM 0 HD2 ARG A 19 18.678 -10.849 -13.461 1.00 61.30 H new ATOM 0 HD3 ARG A 19 19.169 -9.846 -12.111 1.00 61.30 H new ATOM 0 HE ARG A 19 16.510 -10.672 -11.586 1.00 75.21 H new ATOM 0 HH11 ARG A 19 19.721 -12.080 -12.003 1.00 13.44 H new ATOM 0 HH12 ARG A 19 19.386 -13.448 -10.936 1.00 13.44 H new ATOM 0 HH21 ARG A 19 16.087 -12.432 -10.216 1.00 60.13 H new ATOM 0 HH22 ARG A 19 17.337 -13.647 -9.929 1.00 60.13 H new ATOM 331 N SER A 20 14.587 -8.450 -16.681 1.00 12.35 N ATOM 332 CA SER A 20 13.450 -8.738 -17.548 1.00 5.42 C ATOM 333 C SER A 20 13.837 -8.591 -19.016 1.00 41.24 C ATOM 334 O SER A 20 13.377 -9.349 -19.871 1.00 33.53 O ATOM 335 CB SER A 20 12.283 -7.805 -17.220 1.00 52.04 C ATOM 336 OG SER A 20 12.284 -6.669 -18.068 1.00 23.13 O ATOM 0 H SER A 20 14.489 -7.600 -16.126 1.00 12.35 H new ATOM 0 HA SER A 20 13.142 -9.769 -17.373 1.00 5.42 H new ATOM 0 HB2 SER A 20 11.341 -8.343 -17.329 1.00 52.04 H new ATOM 0 HB3 SER A 20 12.349 -7.486 -16.180 1.00 52.04 H new ATOM 0 HG SER A 20 13.011 -6.066 -17.807 1.00 23.13 H new ATOM 342 N LEU A 21 14.686 -7.610 -19.303 1.00 14.32 N ATOM 343 CA LEU A 21 15.136 -7.362 -20.668 1.00 53.41 C ATOM 344 C LEU A 21 16.504 -7.989 -20.913 1.00 22.11 C ATOM 345 O LEU A 21 17.241 -8.284 -19.971 1.00 55.41 O ATOM 346 CB LEU A 21 15.195 -5.858 -20.941 1.00 43.31 C ATOM 347 CG LEU A 21 16.242 -5.073 -20.150 1.00 3.12 C ATOM 348 CD1 LEU A 21 17.228 -4.399 -21.091 1.00 41.42 C ATOM 349 CD2 LEU A 21 15.571 -4.044 -19.251 1.00 61.33 C ATOM 0 H LEU A 21 15.077 -6.973 -18.608 1.00 14.32 H new ATOM 0 HA LEU A 21 14.420 -7.821 -21.349 1.00 53.41 H new ATOM 0 HB2 LEU A 21 15.385 -5.709 -22.004 1.00 43.31 H new ATOM 0 HB3 LEU A 21 14.214 -5.432 -20.730 1.00 43.31 H new ATOM 0 HG LEU A 21 16.792 -5.772 -19.520 1.00 3.12 H new ATOM 0 HD11 LEU A 21 17.965 -3.845 -20.510 1.00 41.42 H new ATOM 0 HD12 LEU A 21 17.733 -5.156 -21.691 1.00 41.42 H new ATOM 0 HD13 LEU A 21 16.693 -3.712 -21.747 1.00 41.42 H new ATOM 0 HD21 LEU A 21 16.331 -3.495 -18.696 1.00 61.33 H new ATOM 0 HD22 LEU A 21 14.994 -3.349 -19.861 1.00 61.33 H new ATOM 0 HD23 LEU A 21 14.906 -4.551 -18.551 1.00 61.33 H new ATOM 361 N ASP A 22 16.839 -8.189 -22.183 1.00 10.02 N ATOM 362 CA ASP A 22 18.121 -8.778 -22.552 1.00 32.31 C ATOM 363 C ASP A 22 18.206 -8.993 -24.060 1.00 30.12 C ATOM 364 O ASP A 22 17.864 -10.063 -24.565 1.00 12.53 O ATOM 365 CB ASP A 22 18.324 -10.107 -21.823 1.00 22.33 C ATOM 366 CG ASP A 22 19.453 -10.046 -20.812 1.00 35.21 C ATOM 367 OD1 ASP A 22 20.496 -9.436 -21.125 1.00 22.24 O ATOM 368 OD2 ASP A 22 19.292 -10.609 -19.709 1.00 23.34 O ATOM 0 H ASP A 22 16.241 -7.952 -22.974 1.00 10.02 H new ATOM 0 HA ASP A 22 18.910 -8.086 -22.257 1.00 32.31 H new ATOM 0 HB2 ASP A 22 17.400 -10.385 -21.315 1.00 22.33 H new ATOM 0 HB3 ASP A 22 18.535 -10.890 -22.552 1.00 22.33 H new ATOM 373 N ARG A 23 18.663 -7.969 -24.773 1.00 63.43 N ATOM 374 CA ARG A 23 18.791 -8.045 -26.224 1.00 21.44 C ATOM 375 C ARG A 23 19.430 -6.776 -26.780 1.00 70.54 C ATOM 376 O ARG A 23 18.797 -5.992 -27.487 1.00 13.44 O ATOM 377 CB ARG A 23 17.420 -8.264 -26.867 1.00 4.41 C ATOM 378 CG ARG A 23 17.480 -9.009 -28.190 1.00 23.40 C ATOM 379 CD ARG A 23 16.864 -10.395 -28.077 1.00 30.02 C ATOM 380 NE ARG A 23 17.536 -11.212 -27.070 1.00 34.22 N ATOM 381 CZ ARG A 23 17.468 -12.538 -27.035 1.00 32.40 C ATOM 382 NH1 ARG A 23 16.763 -13.194 -27.947 1.00 14.44 N ATOM 383 NH2 ARG A 23 18.107 -13.212 -26.087 1.00 11.10 N ATOM 0 H ARG A 23 18.951 -7.077 -24.370 1.00 63.43 H new ATOM 0 HA ARG A 23 19.436 -8.890 -26.464 1.00 21.44 H new ATOM 0 HB2 ARG A 23 16.788 -8.820 -26.175 1.00 4.41 H new ATOM 0 HB3 ARG A 23 16.944 -7.296 -27.026 1.00 4.41 H new ATOM 0 HG2 ARG A 23 16.955 -8.437 -28.955 1.00 23.40 H new ATOM 0 HG3 ARG A 23 18.517 -9.096 -28.513 1.00 23.40 H new ATOM 0 HD2 ARG A 23 15.808 -10.303 -27.823 1.00 30.02 H new ATOM 0 HD3 ARG A 23 16.917 -10.895 -29.044 1.00 30.02 H new ATOM 0 HE ARG A 23 18.088 -10.738 -26.355 1.00 34.22 H new ATOM 0 HH11 ARG A 23 16.271 -12.680 -28.678 1.00 14.44 H new ATOM 0 HH12 ARG A 23 16.713 -14.212 -27.917 1.00 14.44 H new ATOM 0 HH21 ARG A 23 18.651 -12.712 -25.384 1.00 11.10 H new ATOM 0 HH22 ARG A 23 18.054 -14.230 -26.061 1.00 11.10 H new ATOM 397 N PRO A 24 20.715 -6.569 -26.456 1.00 13.14 N ATOM 398 CA PRO A 24 21.467 -5.397 -26.913 1.00 4.15 C ATOM 399 C PRO A 24 21.751 -5.438 -28.410 1.00 52.22 C ATOM 400 O PRO A 24 22.862 -5.759 -28.832 1.00 15.33 O ATOM 401 CB PRO A 24 22.773 -5.482 -26.119 1.00 23.44 C ATOM 402 CG PRO A 24 22.926 -6.929 -25.795 1.00 40.42 C ATOM 403 CD PRO A 24 21.532 -7.463 -25.618 1.00 13.34 C ATOM 0 HA PRO A 24 20.914 -4.471 -26.754 1.00 4.15 H new ATOM 0 HB2 PRO A 24 23.617 -5.116 -26.704 1.00 23.44 H new ATOM 0 HB3 PRO A 24 22.726 -4.876 -25.214 1.00 23.44 H new ATOM 0 HG2 PRO A 24 23.447 -7.455 -26.595 1.00 40.42 H new ATOM 0 HG3 PRO A 24 23.514 -7.066 -24.888 1.00 40.42 H new ATOM 0 HD2 PRO A 24 21.455 -8.500 -25.943 1.00 13.34 H new ATOM 0 HD3 PRO A 24 21.219 -7.432 -24.574 1.00 13.34 H new ATOM 411 N GLN A 25 20.740 -5.110 -29.208 1.00 74.33 N ATOM 412 CA GLN A 25 20.882 -5.110 -30.659 1.00 74.35 C ATOM 413 C GLN A 25 21.819 -3.997 -31.115 1.00 13.52 C ATOM 414 O GLN A 25 22.753 -4.234 -31.879 1.00 45.51 O ATOM 415 CB GLN A 25 19.515 -4.948 -31.327 1.00 12.52 C ATOM 416 CG GLN A 25 18.548 -6.079 -31.017 1.00 61.23 C ATOM 417 CD GLN A 25 17.785 -6.546 -32.241 1.00 62.23 C ATOM 418 OE1 GLN A 25 16.561 -6.435 -32.304 1.00 15.34 O ATOM 419 NE2 GLN A 25 18.507 -7.073 -33.224 1.00 11.13 N ATOM 0 H GLN A 25 19.814 -4.841 -28.874 1.00 74.33 H new ATOM 0 HA GLN A 25 21.312 -6.066 -30.956 1.00 74.35 H new ATOM 0 HB2 GLN A 25 19.073 -4.005 -31.006 1.00 12.52 H new ATOM 0 HB3 GLN A 25 19.653 -4.885 -32.406 1.00 12.52 H new ATOM 0 HG2 GLN A 25 19.100 -6.919 -30.595 1.00 61.23 H new ATOM 0 HG3 GLN A 25 17.840 -5.749 -30.256 1.00 61.23 H new ATOM 0 HE21 GLN A 25 19.520 -7.146 -33.130 1.00 11.13 H new ATOM 0 HE22 GLN A 25 18.048 -7.405 -34.073 1.00 11.13 H new ATOM 428 N GLU A 26 21.561 -2.782 -30.640 1.00 50.21 N ATOM 429 CA GLU A 26 22.382 -1.632 -31.000 1.00 53.42 C ATOM 430 C GLU A 26 23.697 -1.638 -30.226 1.00 51.03 C ATOM 431 O GLU A 26 24.771 -1.481 -30.806 1.00 13.55 O ATOM 432 CB GLU A 26 21.623 -0.331 -30.728 1.00 44.32 C ATOM 433 CG GLU A 26 21.157 0.377 -31.989 1.00 45.32 C ATOM 434 CD GLU A 26 20.583 -0.579 -33.017 1.00 1.33 C ATOM 435 OE1 GLU A 26 19.592 -1.268 -32.696 1.00 2.00 O ATOM 436 OE2 GLU A 26 21.124 -0.638 -34.140 1.00 40.15 O ATOM 0 H GLU A 26 20.791 -2.569 -30.006 1.00 50.21 H new ATOM 0 HA GLU A 26 22.607 -1.698 -32.064 1.00 53.42 H new ATOM 0 HB2 GLU A 26 20.757 -0.549 -30.103 1.00 44.32 H new ATOM 0 HB3 GLU A 26 22.265 0.342 -30.160 1.00 44.32 H new ATOM 0 HG2 GLU A 26 20.402 1.119 -31.727 1.00 45.32 H new ATOM 0 HG3 GLU A 26 21.995 0.917 -32.429 1.00 45.32 H new ATOM 443 N ASN A 27 23.603 -1.821 -28.913 1.00 40.42 N ATOM 444 CA ASN A 27 24.785 -1.846 -28.059 1.00 34.43 C ATOM 445 C ASN A 27 25.666 -0.627 -28.312 1.00 13.11 C ATOM 446 O ASN A 27 26.825 -0.756 -28.702 1.00 5.05 O ATOM 447 CB ASN A 27 25.586 -3.127 -28.300 1.00 31.34 C ATOM 448 CG ASN A 27 26.759 -3.263 -27.348 1.00 33.32 C ATOM 449 OD1 ASN A 27 26.472 -3.259 -26.051 1.00 32.14 O flip ATOM 450 ND2 ASN A 27 27.909 -3.371 -27.774 1.00 73.02 N flip ATOM 0 H ASN A 27 22.721 -1.954 -28.418 1.00 40.42 H new ATOM 0 HA ASN A 27 24.453 -1.822 -27.021 1.00 34.43 H new ATOM 0 HB2 ASN A 27 24.929 -3.990 -28.188 1.00 31.34 H new ATOM 0 HB3 ASN A 27 25.952 -3.136 -29.327 1.00 31.34 H new ATOM 0 HD21 ASN A 27 28.083 -3.369 -28.779 1.00 73.02 H new ATOM 0 HD22 ASN A 27 28.688 -3.462 -27.122 1.00 73.02 H new ATOM 457 N GLY A 28 25.106 0.558 -28.087 1.00 10.11 N ATOM 458 CA GLY A 28 25.855 1.784 -28.295 1.00 74.32 C ATOM 459 C GLY A 28 25.207 2.980 -27.626 1.00 74.35 C ATOM 460 O GLY A 28 25.895 3.858 -27.106 1.00 4.22 O ATOM 0 H GLY A 28 24.147 0.691 -27.765 1.00 10.11 H new ATOM 0 HA2 GLY A 28 26.866 1.659 -27.908 1.00 74.32 H new ATOM 0 HA3 GLY A 28 25.945 1.974 -29.365 1.00 74.32 H new ATOM 464 N LEU A 29 23.879 3.016 -27.641 1.00 53.12 N ATOM 465 CA LEU A 29 23.137 4.115 -27.033 1.00 33.13 C ATOM 466 C LEU A 29 21.648 3.792 -26.960 1.00 54.24 C ATOM 467 O LEU A 29 20.972 4.145 -25.994 1.00 35.33 O ATOM 468 CB LEU A 29 23.353 5.404 -27.827 1.00 52.12 C ATOM 469 CG LEU A 29 22.350 6.529 -27.567 1.00 71.33 C ATOM 470 CD1 LEU A 29 23.024 7.886 -27.699 1.00 73.31 C ATOM 471 CD2 LEU A 29 21.170 6.422 -28.522 1.00 52.12 C ATOM 0 H LEU A 29 23.294 2.297 -28.067 1.00 53.12 H new ATOM 0 HA LEU A 29 23.510 4.255 -26.018 1.00 33.13 H new ATOM 0 HB2 LEU A 29 24.353 5.778 -27.608 1.00 52.12 H new ATOM 0 HB3 LEU A 29 23.329 5.161 -28.889 1.00 52.12 H new ATOM 0 HG LEU A 29 21.977 6.429 -26.548 1.00 71.33 H new ATOM 0 HD11 LEU A 29 22.295 8.674 -27.511 1.00 73.31 H new ATOM 0 HD12 LEU A 29 23.835 7.961 -26.975 1.00 73.31 H new ATOM 0 HD13 LEU A 29 23.426 7.996 -28.706 1.00 73.31 H new ATOM 0 HD21 LEU A 29 20.466 7.230 -28.323 1.00 52.12 H new ATOM 0 HD22 LEU A 29 21.526 6.496 -29.550 1.00 52.12 H new ATOM 0 HD23 LEU A 29 20.672 5.463 -28.378 1.00 52.12 H new ATOM 483 N PHE A 30 21.143 3.118 -27.988 1.00 60.14 N ATOM 484 CA PHE A 30 19.734 2.746 -28.041 1.00 51.11 C ATOM 485 C PHE A 30 19.383 1.784 -26.910 1.00 73.11 C ATOM 486 O PHE A 30 18.209 1.566 -26.608 1.00 65.31 O ATOM 487 CB PHE A 30 19.404 2.106 -29.391 1.00 54.42 C ATOM 488 CG PHE A 30 18.780 3.060 -30.370 1.00 31.12 C ATOM 489 CD1 PHE A 30 19.555 3.996 -31.036 1.00 22.44 C ATOM 490 CD2 PHE A 30 17.419 3.020 -30.624 1.00 55.32 C ATOM 491 CE1 PHE A 30 18.983 4.875 -31.936 1.00 25.41 C ATOM 492 CE2 PHE A 30 16.841 3.897 -31.524 1.00 22.41 C ATOM 493 CZ PHE A 30 17.625 4.824 -32.181 1.00 41.33 C ATOM 0 H PHE A 30 21.689 2.818 -28.796 1.00 60.14 H new ATOM 0 HA PHE A 30 19.140 3.652 -27.921 1.00 51.11 H new ATOM 0 HB2 PHE A 30 20.318 1.699 -29.824 1.00 54.42 H new ATOM 0 HB3 PHE A 30 18.726 1.267 -29.231 1.00 54.42 H new ATOM 0 HD1 PHE A 30 20.618 4.039 -30.850 1.00 22.44 H new ATOM 0 HD2 PHE A 30 16.802 2.296 -30.113 1.00 55.32 H new ATOM 0 HE1 PHE A 30 19.598 5.601 -32.447 1.00 25.41 H new ATOM 0 HE2 PHE A 30 15.778 3.857 -31.712 1.00 22.41 H new ATOM 0 HZ PHE A 30 17.177 5.509 -32.886 1.00 41.33 H new ATOM 503 N SER A 31 20.409 1.211 -26.289 1.00 35.32 N ATOM 504 CA SER A 31 20.209 0.268 -25.194 1.00 44.30 C ATOM 505 C SER A 31 21.404 0.277 -24.245 1.00 40.52 C ATOM 506 O SER A 31 21.653 -0.697 -23.536 1.00 4.32 O ATOM 507 CB SER A 31 19.990 -1.143 -25.742 1.00 35.22 C ATOM 508 OG SER A 31 18.903 -1.779 -25.091 1.00 71.14 O ATOM 0 H SER A 31 21.386 1.383 -26.525 1.00 35.32 H new ATOM 0 HA SER A 31 19.323 0.576 -24.639 1.00 44.30 H new ATOM 0 HB2 SER A 31 19.798 -1.095 -26.814 1.00 35.22 H new ATOM 0 HB3 SER A 31 20.896 -1.734 -25.606 1.00 35.22 H new ATOM 0 HG SER A 31 18.782 -2.679 -25.460 1.00 71.14 H new ATOM 514 N GLN A 32 22.139 1.385 -24.239 1.00 55.24 N ATOM 515 CA GLN A 32 23.308 1.521 -23.379 1.00 14.53 C ATOM 516 C GLN A 32 23.613 2.990 -23.104 1.00 1.20 C ATOM 517 O GLN A 32 22.951 3.882 -23.636 1.00 25.02 O ATOM 518 CB GLN A 32 24.521 0.847 -24.021 1.00 2.32 C ATOM 519 CG GLN A 32 25.133 -0.249 -23.163 1.00 51.22 C ATOM 520 CD GLN A 32 24.289 -1.508 -23.136 1.00 40.11 C ATOM 521 OE1 GLN A 32 23.931 -2.007 -24.314 1.00 52.25 O flip ATOM 522 NE2 GLN A 32 23.962 -2.027 -22.068 1.00 3.44 N flip ATOM 0 H GLN A 32 21.945 2.201 -24.820 1.00 55.24 H new ATOM 0 HA GLN A 32 23.089 1.031 -22.430 1.00 14.53 H new ATOM 0 HB2 GLN A 32 24.225 0.423 -24.981 1.00 2.32 H new ATOM 0 HB3 GLN A 32 25.280 1.602 -24.226 1.00 2.32 H new ATOM 0 HG2 GLN A 32 26.126 -0.490 -23.542 1.00 51.22 H new ATOM 0 HG3 GLN A 32 25.261 0.120 -22.145 1.00 51.22 H new ATOM 0 HE21 GLN A 32 24.259 -1.610 -21.186 1.00 3.44 H new ATOM 0 HE22 GLN A 32 23.394 -2.874 -22.065 1.00 3.44 H new ATOM 531 N ASP A 33 24.618 3.234 -22.271 1.00 4.33 N ATOM 532 CA ASP A 33 25.012 4.595 -21.926 1.00 2.44 C ATOM 533 C ASP A 33 26.023 5.140 -22.930 1.00 23.40 C ATOM 534 O ASP A 33 27.165 4.683 -22.987 1.00 60.31 O ATOM 535 CB ASP A 33 25.603 4.636 -20.515 1.00 51.24 C ATOM 536 CG ASP A 33 24.539 4.545 -19.439 1.00 60.22 C ATOM 537 OD1 ASP A 33 23.728 5.488 -19.325 1.00 63.44 O ATOM 538 OD2 ASP A 33 24.518 3.531 -18.710 1.00 74.12 O ATOM 0 H ASP A 33 25.175 2.507 -21.822 1.00 4.33 H new ATOM 0 HA ASP A 33 24.122 5.223 -21.957 1.00 2.44 H new ATOM 0 HB2 ASP A 33 26.308 3.813 -20.395 1.00 51.24 H new ATOM 0 HB3 ASP A 33 26.167 5.560 -20.387 1.00 51.24 H new ATOM 543 N VAL A 34 25.596 6.118 -23.722 1.00 14.14 N ATOM 544 CA VAL A 34 26.463 6.725 -24.724 1.00 61.11 C ATOM 545 C VAL A 34 27.748 7.249 -24.094 1.00 3.54 C ATOM 546 O VAL A 34 28.797 7.291 -24.738 1.00 62.40 O ATOM 547 CB VAL A 34 25.754 7.881 -25.455 1.00 32.43 C ATOM 548 CG1 VAL A 34 25.407 8.996 -24.480 1.00 63.12 C ATOM 549 CG2 VAL A 34 26.620 8.404 -26.590 1.00 61.35 C ATOM 0 H VAL A 34 24.654 6.507 -23.689 1.00 14.14 H new ATOM 0 HA VAL A 34 26.707 5.945 -25.445 1.00 61.11 H new ATOM 0 HB VAL A 34 24.825 7.503 -25.882 1.00 32.43 H new ATOM 0 HG11 VAL A 34 24.907 9.804 -25.014 1.00 63.12 H new ATOM 0 HG12 VAL A 34 24.745 8.609 -23.705 1.00 63.12 H new ATOM 0 HG13 VAL A 34 26.320 9.375 -24.021 1.00 63.12 H new ATOM 0 HG21 VAL A 34 26.104 9.220 -27.095 1.00 61.35 H new ATOM 0 HG22 VAL A 34 27.566 8.767 -26.188 1.00 61.35 H new ATOM 0 HG23 VAL A 34 26.812 7.601 -27.301 1.00 61.35 H new ATOM 559 N LEU A 35 27.660 7.650 -22.830 1.00 22.51 N ATOM 560 CA LEU A 35 28.817 8.172 -22.110 1.00 72.33 C ATOM 561 C LEU A 35 29.903 7.109 -21.981 1.00 62.24 C ATOM 562 O LEU A 35 31.064 7.422 -21.714 1.00 63.44 O ATOM 563 CB LEU A 35 28.400 8.662 -20.723 1.00 0.23 C ATOM 564 CG LEU A 35 29.059 9.955 -20.242 1.00 3.41 C ATOM 565 CD1 LEU A 35 30.560 9.765 -20.090 1.00 24.30 C ATOM 566 CD2 LEU A 35 28.759 11.096 -21.203 1.00 43.32 C ATOM 0 H LEU A 35 26.800 7.624 -22.283 1.00 22.51 H new ATOM 0 HA LEU A 35 29.220 9.010 -22.679 1.00 72.33 H new ATOM 0 HB2 LEU A 35 27.319 8.806 -20.720 1.00 0.23 H new ATOM 0 HB3 LEU A 35 28.619 7.876 -20.001 1.00 0.23 H new ATOM 0 HG LEU A 35 28.645 10.210 -19.266 1.00 3.41 H new ATOM 0 HD11 LEU A 35 31.012 10.696 -19.747 1.00 24.30 H new ATOM 0 HD12 LEU A 35 30.755 8.977 -19.362 1.00 24.30 H new ATOM 0 HD13 LEU A 35 30.991 9.486 -21.052 1.00 24.30 H new ATOM 0 HD21 LEU A 35 29.236 12.008 -20.845 1.00 43.32 H new ATOM 0 HD22 LEU A 35 29.144 10.849 -22.192 1.00 43.32 H new ATOM 0 HD23 LEU A 35 27.681 11.249 -21.261 1.00 43.32 H new ATOM 578 N LEU A 36 29.520 5.852 -22.175 1.00 34.25 N ATOM 579 CA LEU A 36 30.461 4.742 -22.082 1.00 64.43 C ATOM 580 C LEU A 36 30.939 4.316 -23.467 1.00 4.40 C ATOM 581 O LEU A 36 31.359 3.177 -23.666 1.00 32.33 O ATOM 582 CB LEU A 36 29.813 3.555 -21.367 1.00 71.25 C ATOM 583 CG LEU A 36 29.733 3.651 -19.844 1.00 1.15 C ATOM 584 CD1 LEU A 36 31.119 3.840 -19.247 1.00 43.23 C ATOM 585 CD2 LEU A 36 28.812 4.789 -19.429 1.00 2.44 C ATOM 0 H LEU A 36 28.564 5.576 -22.398 1.00 34.25 H new ATOM 0 HA LEU A 36 31.324 5.078 -21.507 1.00 64.43 H new ATOM 0 HB2 LEU A 36 28.803 3.429 -21.757 1.00 71.25 H new ATOM 0 HB3 LEU A 36 30.369 2.654 -21.625 1.00 71.25 H new ATOM 0 HG LEU A 36 29.320 2.718 -19.462 1.00 1.15 H new ATOM 0 HD11 LEU A 36 31.042 3.906 -18.162 1.00 43.23 H new ATOM 0 HD12 LEU A 36 31.749 2.992 -19.515 1.00 43.23 H new ATOM 0 HD13 LEU A 36 31.561 4.757 -19.636 1.00 43.23 H new ATOM 0 HD21 LEU A 36 28.767 4.842 -18.341 1.00 2.44 H new ATOM 0 HD22 LEU A 36 29.196 5.730 -19.823 1.00 2.44 H new ATOM 0 HD23 LEU A 36 27.812 4.611 -19.825 1.00 2.44 H new ATOM 597 N GLN A 37 30.875 5.241 -24.419 1.00 53.24 N ATOM 598 CA GLN A 37 31.303 4.962 -25.785 1.00 75.21 C ATOM 599 C GLN A 37 32.637 5.636 -26.086 1.00 60.11 C ATOM 600 O GLN A 37 33.681 4.984 -26.110 1.00 45.33 O ATOM 601 CB GLN A 37 30.242 5.435 -26.781 1.00 44.20 C ATOM 602 CG GLN A 37 28.908 4.722 -26.634 1.00 12.33 C ATOM 603 CD GLN A 37 29.049 3.213 -26.641 1.00 75.14 C ATOM 604 OE1 GLN A 37 29.980 2.668 -27.234 1.00 72.43 O ATOM 605 NE2 GLN A 37 28.122 2.528 -25.981 1.00 10.42 N ATOM 0 H GLN A 37 30.531 6.190 -24.270 1.00 53.24 H new ATOM 0 HA GLN A 37 31.431 3.884 -25.886 1.00 75.21 H new ATOM 0 HB2 GLN A 37 30.088 6.506 -26.653 1.00 44.20 H new ATOM 0 HB3 GLN A 37 30.615 5.285 -27.794 1.00 44.20 H new ATOM 0 HG2 GLN A 37 28.434 5.034 -25.704 1.00 12.33 H new ATOM 0 HG3 GLN A 37 28.247 5.025 -27.446 1.00 12.33 H new ATOM 0 HE21 GLN A 37 27.367 3.021 -25.503 1.00 10.42 H new ATOM 0 HE22 GLN A 37 28.165 1.509 -25.952 1.00 10.42 H new ATOM 614 N TYR A 38 32.595 6.944 -26.315 1.00 61.43 N ATOM 615 CA TYR A 38 33.801 7.706 -26.618 1.00 32.43 C ATOM 616 C TYR A 38 33.683 9.138 -26.105 1.00 22.43 C ATOM 617 O TYR A 38 32.602 9.726 -26.072 1.00 22.10 O ATOM 618 CB TYR A 38 34.061 7.712 -28.125 1.00 31.20 C ATOM 619 CG TYR A 38 35.183 6.792 -28.550 1.00 23.14 C ATOM 620 CD1 TYR A 38 34.989 5.419 -28.634 1.00 74.11 C ATOM 621 CD2 TYR A 38 36.438 7.296 -28.867 1.00 44.42 C ATOM 622 CE1 TYR A 38 36.012 4.575 -29.021 1.00 34.13 C ATOM 623 CE2 TYR A 38 37.467 6.460 -29.256 1.00 71.03 C ATOM 624 CZ TYR A 38 37.249 5.100 -29.331 1.00 54.10 C ATOM 625 OH TYR A 38 38.270 4.263 -29.718 1.00 72.20 O ATOM 0 H TYR A 38 31.739 7.499 -26.297 1.00 61.43 H new ATOM 0 HA TYR A 38 34.640 7.226 -26.114 1.00 32.43 H new ATOM 0 HB2 TYR A 38 33.148 7.421 -28.644 1.00 31.20 H new ATOM 0 HB3 TYR A 38 34.297 8.728 -28.440 1.00 31.20 H new ATOM 0 HD1 TYR A 38 34.022 5.004 -28.393 1.00 74.11 H new ATOM 0 HD2 TYR A 38 36.613 8.360 -28.808 1.00 44.42 H new ATOM 0 HE1 TYR A 38 35.844 3.510 -29.080 1.00 34.13 H new ATOM 0 HE2 TYR A 38 38.436 6.869 -29.500 1.00 71.03 H new ATOM 0 HH TYR A 38 39.075 4.792 -29.902 1.00 72.20 H new ATOM 635 N PRO A 39 34.823 9.713 -25.694 1.00 41.45 N ATOM 636 CA PRO A 39 34.876 11.084 -25.177 1.00 31.35 C ATOM 637 C PRO A 39 34.627 12.124 -26.263 1.00 54.20 C ATOM 638 O PRO A 39 35.548 12.815 -26.696 1.00 62.44 O ATOM 639 CB PRO A 39 36.304 11.205 -24.638 1.00 73.41 C ATOM 640 CG PRO A 39 37.089 10.209 -25.420 1.00 40.01 C ATOM 641 CD PRO A 39 36.148 9.071 -25.705 1.00 42.22 C ATOM 0 HA PRO A 39 34.106 11.266 -24.428 1.00 31.35 H new ATOM 0 HB2 PRO A 39 36.695 12.213 -24.775 1.00 73.41 H new ATOM 0 HB3 PRO A 39 36.344 10.990 -23.570 1.00 73.41 H new ATOM 0 HG2 PRO A 39 37.463 10.647 -26.345 1.00 40.01 H new ATOM 0 HG3 PRO A 39 37.956 9.866 -24.856 1.00 40.01 H new ATOM 0 HD2 PRO A 39 36.361 8.605 -26.667 1.00 42.22 H new ATOM 0 HD3 PRO A 39 36.222 8.289 -24.949 1.00 42.22 H new ATOM 649 N GLU A 40 33.375 12.231 -26.698 1.00 71.40 N ATOM 650 CA GLU A 40 33.006 13.188 -27.735 1.00 31.54 C ATOM 651 C GLU A 40 31.493 13.383 -27.782 1.00 22.45 C ATOM 652 O GLU A 40 31.005 14.498 -27.966 1.00 50.34 O ATOM 653 CB GLU A 40 33.513 12.716 -29.099 1.00 71.31 C ATOM 654 CG GLU A 40 33.098 11.296 -29.445 1.00 34.41 C ATOM 655 CD GLU A 40 34.196 10.522 -30.148 1.00 74.42 C ATOM 656 OE1 GLU A 40 35.329 10.492 -29.626 1.00 4.10 O ATOM 657 OE2 GLU A 40 33.920 9.945 -31.221 1.00 42.03 O ATOM 0 H GLU A 40 32.600 11.667 -26.349 1.00 71.40 H new ATOM 0 HA GLU A 40 33.471 14.144 -27.494 1.00 31.54 H new ATOM 0 HB2 GLU A 40 33.141 13.392 -29.869 1.00 71.31 H new ATOM 0 HB3 GLU A 40 34.601 12.782 -29.115 1.00 71.31 H new ATOM 0 HG2 GLU A 40 32.816 10.771 -28.532 1.00 34.41 H new ATOM 0 HG3 GLU A 40 32.214 11.325 -30.082 1.00 34.41 H new ATOM 664 N LEU A 41 30.756 12.290 -27.614 1.00 4.05 N ATOM 665 CA LEU A 41 29.299 12.339 -27.637 1.00 14.31 C ATOM 666 C LEU A 41 28.734 12.420 -26.222 1.00 53.24 C ATOM 667 O LEU A 41 27.575 12.079 -25.986 1.00 24.15 O ATOM 668 CB LEU A 41 28.739 11.109 -28.352 1.00 74.43 C ATOM 669 CG LEU A 41 29.317 9.760 -27.921 1.00 42.53 C ATOM 670 CD1 LEU A 41 30.607 9.468 -28.673 1.00 14.20 C ATOM 671 CD2 LEU A 41 29.557 9.739 -26.419 1.00 20.22 C ATOM 0 H LEU A 41 31.144 11.359 -27.460 1.00 4.05 H new ATOM 0 HA LEU A 41 28.999 13.235 -28.180 1.00 14.31 H new ATOM 0 HB2 LEU A 41 27.660 11.085 -28.199 1.00 74.43 H new ATOM 0 HB3 LEU A 41 28.907 11.228 -29.422 1.00 74.43 H new ATOM 0 HG LEU A 41 28.594 8.981 -28.164 1.00 42.53 H new ATOM 0 HD11 LEU A 41 31.004 8.504 -28.354 1.00 14.20 H new ATOM 0 HD12 LEU A 41 30.406 9.441 -29.744 1.00 14.20 H new ATOM 0 HD13 LEU A 41 31.337 10.249 -28.461 1.00 14.20 H new ATOM 0 HD21 LEU A 41 29.968 8.772 -26.130 1.00 20.22 H new ATOM 0 HD22 LEU A 41 30.261 10.527 -26.152 1.00 20.22 H new ATOM 0 HD23 LEU A 41 28.614 9.903 -25.898 1.00 20.22 H new ATOM 683 N ALA A 42 29.559 12.876 -25.286 1.00 45.32 N ATOM 684 CA ALA A 42 29.141 13.006 -23.896 1.00 40.51 C ATOM 685 C ALA A 42 28.157 14.158 -23.725 1.00 15.34 C ATOM 686 O ALA A 42 27.396 14.198 -22.758 1.00 23.42 O ATOM 687 CB ALA A 42 30.352 13.206 -22.997 1.00 0.41 C ATOM 0 H ALA A 42 30.522 13.162 -25.465 1.00 45.32 H new ATOM 0 HA ALA A 42 28.636 12.085 -23.606 1.00 40.51 H new ATOM 0 HB1 ALA A 42 30.025 13.302 -21.962 1.00 0.41 H new ATOM 0 HB2 ALA A 42 31.019 12.349 -23.089 1.00 0.41 H new ATOM 0 HB3 ALA A 42 30.881 14.111 -23.295 1.00 0.41 H new ATOM 693 N GLU A 43 28.177 15.094 -24.669 1.00 21.12 N ATOM 694 CA GLU A 43 27.286 16.247 -24.620 1.00 4.43 C ATOM 695 C GLU A 43 25.843 15.832 -24.887 1.00 34.34 C ATOM 696 O GLU A 43 24.936 16.174 -24.127 1.00 24.41 O ATOM 697 CB GLU A 43 27.723 17.300 -25.641 1.00 15.33 C ATOM 698 CG GLU A 43 27.241 18.703 -25.312 1.00 1.44 C ATOM 699 CD GLU A 43 28.365 19.721 -25.314 1.00 40.31 C ATOM 700 OE1 GLU A 43 28.758 20.170 -26.411 1.00 72.32 O ATOM 701 OE2 GLU A 43 28.851 20.070 -24.218 1.00 25.33 O ATOM 0 H GLU A 43 28.800 15.076 -25.476 1.00 21.12 H new ATOM 0 HA GLU A 43 27.343 16.675 -23.619 1.00 4.43 H new ATOM 0 HB2 GLU A 43 28.811 17.304 -25.703 1.00 15.33 H new ATOM 0 HB3 GLU A 43 27.348 17.018 -26.625 1.00 15.33 H new ATOM 0 HG2 GLU A 43 26.483 19.002 -26.036 1.00 1.44 H new ATOM 0 HG3 GLU A 43 26.762 18.698 -24.333 1.00 1.44 H new ATOM 708 N SER A 44 25.637 15.092 -25.972 1.00 11.32 N ATOM 709 CA SER A 44 24.303 14.633 -26.342 1.00 44.14 C ATOM 710 C SER A 44 23.695 13.780 -25.234 1.00 30.24 C ATOM 711 O SER A 44 22.475 13.726 -25.075 1.00 22.12 O ATOM 712 CB SER A 44 24.360 13.832 -27.645 1.00 3.33 C ATOM 713 OG SER A 44 24.752 12.492 -27.403 1.00 14.04 O ATOM 0 H SER A 44 26.376 14.798 -26.610 1.00 11.32 H new ATOM 0 HA SER A 44 23.672 15.509 -26.489 1.00 44.14 H new ATOM 0 HB2 SER A 44 23.383 13.847 -28.128 1.00 3.33 H new ATOM 0 HB3 SER A 44 25.063 14.301 -28.334 1.00 3.33 H new ATOM 0 HG SER A 44 25.623 12.482 -26.954 1.00 14.04 H new ATOM 719 N TYR A 45 24.554 13.114 -24.469 1.00 52.44 N ATOM 720 CA TYR A 45 24.102 12.261 -23.377 1.00 5.24 C ATOM 721 C TYR A 45 23.124 13.005 -22.473 1.00 2.32 C ATOM 722 O TYR A 45 21.994 12.563 -22.262 1.00 63.21 O ATOM 723 CB TYR A 45 25.298 11.770 -22.558 1.00 53.01 C ATOM 724 CG TYR A 45 24.910 10.909 -21.377 1.00 0.41 C ATOM 725 CD1 TYR A 45 23.966 9.898 -21.509 1.00 51.52 C ATOM 726 CD2 TYR A 45 25.487 11.108 -20.129 1.00 33.45 C ATOM 727 CE1 TYR A 45 23.608 9.110 -20.433 1.00 10.02 C ATOM 728 CE2 TYR A 45 25.136 10.323 -19.047 1.00 0.10 C ATOM 729 CZ TYR A 45 24.196 9.326 -19.204 1.00 21.10 C ATOM 730 OH TYR A 45 23.843 8.543 -18.129 1.00 0.23 O ATOM 0 H TYR A 45 25.567 13.149 -24.586 1.00 52.44 H new ATOM 0 HA TYR A 45 23.588 11.403 -23.809 1.00 5.24 H new ATOM 0 HB2 TYR A 45 25.964 11.202 -23.208 1.00 53.01 H new ATOM 0 HB3 TYR A 45 25.861 12.632 -22.199 1.00 53.01 H new ATOM 0 HD1 TYR A 45 23.504 9.725 -22.470 1.00 51.52 H new ATOM 0 HD2 TYR A 45 26.222 11.889 -20.002 1.00 33.45 H new ATOM 0 HE1 TYR A 45 22.872 8.329 -20.553 1.00 10.02 H new ATOM 0 HE2 TYR A 45 25.595 10.489 -18.084 1.00 0.10 H new ATOM 0 HH TYR A 45 23.787 7.606 -18.411 1.00 0.23 H new ATOM 740 N THR A 46 23.566 14.140 -21.941 1.00 5.45 N ATOM 741 CA THR A 46 22.732 14.947 -21.059 1.00 42.30 C ATOM 742 C THR A 46 21.585 15.593 -21.827 1.00 51.42 C ATOM 743 O THR A 46 20.490 15.774 -21.293 1.00 62.13 O ATOM 744 CB THR A 46 23.553 16.049 -20.362 1.00 32.21 C ATOM 745 OG1 THR A 46 23.938 17.049 -21.312 1.00 74.41 O ATOM 746 CG2 THR A 46 24.793 15.464 -19.703 1.00 0.53 C ATOM 0 H THR A 46 24.498 14.521 -22.106 1.00 5.45 H new ATOM 0 HA THR A 46 22.327 14.274 -20.304 1.00 42.30 H new ATOM 0 HB THR A 46 22.930 16.503 -19.591 1.00 32.21 H new ATOM 0 HG1 THR A 46 24.228 16.617 -22.143 1.00 74.41 H new ATOM 0 HG21 THR A 46 25.357 16.260 -19.217 1.00 0.53 H new ATOM 0 HG22 THR A 46 24.495 14.725 -18.959 1.00 0.53 H new ATOM 0 HG23 THR A 46 25.416 14.987 -20.459 1.00 0.53 H new ATOM 754 N LYS A 47 21.842 15.940 -23.084 1.00 35.30 N ATOM 755 CA LYS A 47 20.830 16.564 -23.928 1.00 13.32 C ATOM 756 C LYS A 47 19.546 15.741 -23.938 1.00 33.01 C ATOM 757 O LYS A 47 18.446 16.289 -24.011 1.00 73.32 O ATOM 758 CB LYS A 47 21.356 16.726 -25.356 1.00 32.22 C ATOM 759 CG LYS A 47 20.354 17.360 -26.305 1.00 0.30 C ATOM 760 CD LYS A 47 19.510 16.311 -27.008 1.00 61.43 C ATOM 761 CE LYS A 47 20.050 16.000 -28.396 1.00 74.11 C ATOM 762 NZ LYS A 47 19.083 16.376 -29.464 1.00 54.22 N ATOM 0 H LYS A 47 22.743 15.799 -23.541 1.00 35.30 H new ATOM 0 HA LYS A 47 20.606 17.548 -23.516 1.00 13.32 H new ATOM 0 HB2 LYS A 47 22.259 17.336 -25.334 1.00 32.22 H new ATOM 0 HB3 LYS A 47 21.641 15.747 -25.742 1.00 32.22 H new ATOM 0 HG2 LYS A 47 19.705 18.038 -25.751 1.00 0.30 H new ATOM 0 HG3 LYS A 47 20.883 17.959 -27.046 1.00 0.30 H new ATOM 0 HD2 LYS A 47 19.490 15.399 -26.411 1.00 61.43 H new ATOM 0 HD3 LYS A 47 18.481 16.663 -27.087 1.00 61.43 H new ATOM 0 HE2 LYS A 47 20.987 16.535 -28.550 1.00 74.11 H new ATOM 0 HE3 LYS A 47 20.275 14.936 -28.468 1.00 74.11 H new ATOM 0 HZ1 LYS A 47 19.488 16.148 -30.395 1.00 54.22 H new ATOM 0 HZ2 LYS A 47 18.198 15.846 -29.333 1.00 54.22 H new ATOM 0 HZ3 LYS A 47 18.887 17.396 -29.412 1.00 54.22 H new ATOM 776 N VAL A 48 19.693 14.422 -23.862 1.00 42.03 N ATOM 777 CA VAL A 48 18.545 13.523 -23.860 1.00 41.31 C ATOM 778 C VAL A 48 18.435 12.776 -22.536 1.00 32.01 C ATOM 779 O VAL A 48 18.062 11.603 -22.503 1.00 30.42 O ATOM 780 CB VAL A 48 18.631 12.501 -25.009 1.00 33.54 C ATOM 781 CG1 VAL A 48 19.747 11.500 -24.751 1.00 2.12 C ATOM 782 CG2 VAL A 48 17.298 11.790 -25.189 1.00 31.21 C ATOM 0 H VAL A 48 20.596 13.952 -23.801 1.00 42.03 H new ATOM 0 HA VAL A 48 17.658 14.141 -24.000 1.00 41.31 H new ATOM 0 HB VAL A 48 18.860 13.035 -25.931 1.00 33.54 H new ATOM 0 HG11 VAL A 48 19.793 10.786 -25.573 1.00 2.12 H new ATOM 0 HG12 VAL A 48 20.698 12.027 -24.675 1.00 2.12 H new ATOM 0 HG13 VAL A 48 19.551 10.969 -23.820 1.00 2.12 H new ATOM 0 HG21 VAL A 48 17.376 11.071 -26.005 1.00 31.21 H new ATOM 0 HG22 VAL A 48 17.037 11.267 -24.269 1.00 31.21 H new ATOM 0 HG23 VAL A 48 16.524 12.521 -25.423 1.00 31.21 H new ATOM 792 N CYS A 49 18.761 13.463 -21.447 1.00 33.34 N ATOM 793 CA CYS A 49 18.699 12.864 -20.118 1.00 74.20 C ATOM 794 C CYS A 49 19.678 11.701 -19.999 1.00 45.15 C ATOM 795 O CYS A 49 20.210 11.202 -20.991 1.00 62.42 O ATOM 796 CB CYS A 49 17.278 12.382 -19.819 1.00 2.21 C ATOM 797 SG CYS A 49 16.320 13.509 -18.778 1.00 65.14 S ATOM 0 H CYS A 49 19.071 14.435 -21.458 1.00 33.34 H new ATOM 0 HA CYS A 49 18.978 13.626 -19.390 1.00 74.20 H new ATOM 0 HB2 CYS A 49 16.749 12.237 -20.761 1.00 2.21 H new ATOM 0 HB3 CYS A 49 17.331 11.409 -19.330 1.00 2.21 H new ATOM 0 HG CYS A 49 15.218 12.927 -18.409 1.00 65.14 H new ATOM 803 N PRO A 50 19.926 11.259 -18.757 1.00 54.53 N ATOM 804 CA PRO A 50 20.844 10.151 -18.479 1.00 51.22 C ATOM 805 C PRO A 50 20.294 8.810 -18.952 1.00 34.11 C ATOM 806 O PRO A 50 19.947 7.951 -18.143 1.00 33.15 O ATOM 807 CB PRO A 50 20.970 10.170 -16.954 1.00 23.42 C ATOM 808 CG PRO A 50 19.709 10.804 -16.477 1.00 24.42 C ATOM 809 CD PRO A 50 19.327 11.808 -17.529 1.00 21.24 C ATOM 0 HA PRO A 50 21.794 10.268 -19.000 1.00 51.22 H new ATOM 0 HB2 PRO A 50 21.082 9.162 -16.554 1.00 23.42 H new ATOM 0 HB3 PRO A 50 21.844 10.739 -16.636 1.00 23.42 H new ATOM 0 HG2 PRO A 50 18.924 10.060 -16.344 1.00 24.42 H new ATOM 0 HG3 PRO A 50 19.856 11.287 -15.511 1.00 24.42 H new ATOM 0 HD2 PRO A 50 18.245 11.905 -17.618 1.00 21.24 H new ATOM 0 HD3 PRO A 50 19.718 12.799 -17.299 1.00 21.24 H new ATOM 817 N ASN A 51 20.217 8.637 -20.268 1.00 2.45 N ATOM 818 CA ASN A 51 19.709 7.400 -20.848 1.00 32.22 C ATOM 819 C ASN A 51 18.236 7.202 -20.502 1.00 70.23 C ATOM 820 O ASN A 51 17.884 6.981 -19.343 1.00 40.33 O ATOM 821 CB ASN A 51 20.526 6.206 -20.351 1.00 32.44 C ATOM 822 CG ASN A 51 21.402 5.612 -21.437 1.00 33.21 C ATOM 823 OD1 ASN A 51 21.479 4.393 -21.591 1.00 33.24 O ATOM 824 ND2 ASN A 51 22.068 6.474 -22.197 1.00 35.32 N ATOM 0 H ASN A 51 20.500 9.338 -20.952 1.00 2.45 H new ATOM 0 HA ASN A 51 19.803 7.470 -21.932 1.00 32.22 H new ATOM 0 HB2 ASN A 51 21.151 6.520 -19.515 1.00 32.44 H new ATOM 0 HB3 ASN A 51 19.850 5.439 -19.973 1.00 32.44 H new ATOM 0 HD21 ASN A 51 22.673 6.134 -22.944 1.00 35.32 H new ATOM 0 HD22 ASN A 51 21.974 7.476 -22.034 1.00 35.32 H new ATOM 831 N ARG A 52 17.380 7.282 -21.516 1.00 22.51 N ATOM 832 CA ARG A 52 15.946 7.112 -21.320 1.00 35.24 C ATOM 833 C ARG A 52 15.452 5.836 -21.995 1.00 33.41 C ATOM 834 O ARG A 52 14.391 5.823 -22.621 1.00 42.30 O ATOM 835 CB ARG A 52 15.187 8.320 -21.872 1.00 41.01 C ATOM 836 CG ARG A 52 15.241 9.539 -20.966 1.00 43.31 C ATOM 837 CD ARG A 52 14.818 10.800 -21.703 1.00 53.22 C ATOM 838 NE ARG A 52 14.343 11.835 -20.789 1.00 12.22 N ATOM 839 CZ ARG A 52 13.825 12.990 -21.192 1.00 13.25 C ATOM 840 NH1 ARG A 52 13.715 13.256 -22.486 1.00 21.02 N ATOM 841 NH2 ARG A 52 13.415 13.882 -20.299 1.00 14.04 N ATOM 0 H ARG A 52 17.655 7.463 -22.481 1.00 22.51 H new ATOM 0 HA ARG A 52 15.759 7.032 -20.249 1.00 35.24 H new ATOM 0 HB2 ARG A 52 15.599 8.583 -22.846 1.00 41.01 H new ATOM 0 HB3 ARG A 52 14.145 8.042 -22.031 1.00 41.01 H new ATOM 0 HG2 ARG A 52 14.590 9.383 -20.106 1.00 43.31 H new ATOM 0 HG3 ARG A 52 16.253 9.663 -20.581 1.00 43.31 H new ATOM 0 HD2 ARG A 52 15.661 11.183 -22.278 1.00 53.22 H new ATOM 0 HD3 ARG A 52 14.030 10.556 -22.416 1.00 53.22 H new ATOM 0 HE ARG A 52 14.413 11.662 -19.786 1.00 12.22 H new ATOM 0 HH11 ARG A 52 14.029 12.573 -23.176 1.00 21.02 H new ATOM 0 HH12 ARG A 52 13.317 14.144 -22.792 1.00 21.02 H new ATOM 0 HH21 ARG A 52 13.498 13.681 -19.302 1.00 14.04 H new ATOM 0 HH22 ARG A 52 13.017 14.769 -20.609 1.00 14.04 H new ATOM 855 N CYS A 53 16.227 4.765 -21.864 1.00 1.13 N ATOM 856 CA CYS A 53 15.869 3.484 -22.462 1.00 64.12 C ATOM 857 C CYS A 53 15.119 2.608 -21.464 1.00 52.32 C ATOM 858 O CYS A 53 13.894 2.493 -21.522 1.00 44.31 O ATOM 859 CB CYS A 53 17.123 2.759 -22.953 1.00 64.01 C ATOM 860 SG CYS A 53 16.819 1.080 -23.551 1.00 30.12 S ATOM 0 H CYS A 53 17.107 4.758 -21.349 1.00 1.13 H new ATOM 0 HA CYS A 53 15.214 3.678 -23.311 1.00 64.12 H new ATOM 0 HB2 CYS A 53 17.576 3.342 -23.755 1.00 64.01 H new ATOM 0 HB3 CYS A 53 17.848 2.718 -22.140 1.00 64.01 H new ATOM 0 HG CYS A 53 17.210 0.982 -24.787 1.00 30.12 H new ATOM 866 N ASP A 54 15.861 1.992 -20.551 1.00 72.21 N ATOM 867 CA ASP A 54 15.266 1.125 -19.540 1.00 52.32 C ATOM 868 C ASP A 54 16.340 0.522 -18.641 1.00 63.42 C ATOM 869 O ASP A 54 16.389 0.798 -17.442 1.00 13.02 O ATOM 870 CB ASP A 54 14.455 0.012 -20.205 1.00 60.03 C ATOM 871 CG ASP A 54 12.961 0.252 -20.117 1.00 33.13 C ATOM 872 OD1 ASP A 54 12.443 0.353 -18.985 1.00 75.32 O ATOM 873 OD2 ASP A 54 12.309 0.338 -21.179 1.00 22.11 O ATOM 0 H ASP A 54 16.876 2.077 -20.490 1.00 72.21 H new ATOM 0 HA ASP A 54 14.600 1.730 -18.924 1.00 52.32 H new ATOM 0 HB2 ASP A 54 14.746 -0.069 -21.252 1.00 60.03 H new ATOM 0 HB3 ASP A 54 14.695 -0.940 -19.733 1.00 60.03 H new ATOM 878 N LEU A 55 17.199 -0.304 -19.228 1.00 24.52 N ATOM 879 CA LEU A 55 18.273 -0.949 -18.480 1.00 4.11 C ATOM 880 C LEU A 55 19.171 0.088 -17.812 1.00 55.52 C ATOM 881 O LEU A 55 19.576 -0.076 -16.662 1.00 43.41 O ATOM 882 CB LEU A 55 19.105 -1.838 -19.406 1.00 53.15 C ATOM 883 CG LEU A 55 19.596 -1.186 -20.699 1.00 40.13 C ATOM 884 CD1 LEU A 55 21.115 -1.124 -20.722 1.00 64.21 C ATOM 885 CD2 LEU A 55 19.073 -1.943 -21.911 1.00 70.40 C ATOM 0 H LEU A 55 17.173 -0.543 -20.219 1.00 24.52 H new ATOM 0 HA LEU A 55 17.821 -1.566 -17.704 1.00 4.11 H new ATOM 0 HB2 LEU A 55 19.972 -2.196 -18.851 1.00 53.15 H new ATOM 0 HB3 LEU A 55 18.510 -2.713 -19.667 1.00 53.15 H new ATOM 0 HG LEU A 55 19.210 -0.167 -20.738 1.00 40.13 H new ATOM 0 HD11 LEU A 55 21.446 -0.657 -21.650 1.00 64.21 H new ATOM 0 HD12 LEU A 55 21.468 -0.537 -19.874 1.00 64.21 H new ATOM 0 HD13 LEU A 55 21.521 -2.133 -20.659 1.00 64.21 H new ATOM 0 HD21 LEU A 55 19.433 -1.464 -22.822 1.00 70.40 H new ATOM 0 HD22 LEU A 55 19.428 -2.973 -21.878 1.00 70.40 H new ATOM 0 HD23 LEU A 55 17.983 -1.935 -21.903 1.00 70.40 H new ATOM 897 N ALA A 56 19.474 1.157 -18.541 1.00 43.41 N ATOM 898 CA ALA A 56 20.319 2.224 -18.018 1.00 65.41 C ATOM 899 C ALA A 56 19.515 3.187 -17.152 1.00 51.24 C ATOM 900 O ALA A 56 19.970 3.612 -16.089 1.00 74.25 O ATOM 901 CB ALA A 56 20.992 2.972 -19.159 1.00 52.14 C ATOM 0 H ALA A 56 19.147 1.307 -19.495 1.00 43.41 H new ATOM 0 HA ALA A 56 21.088 1.771 -17.392 1.00 65.41 H new ATOM 0 HB1 ALA A 56 21.620 3.766 -18.754 1.00 52.14 H new ATOM 0 HB2 ALA A 56 21.608 2.281 -19.734 1.00 52.14 H new ATOM 0 HB3 ALA A 56 20.232 3.407 -19.808 1.00 52.14 H new ATOM 907 N THR A 57 18.316 3.530 -17.614 1.00 2.42 N ATOM 908 CA THR A 57 17.449 4.445 -16.883 1.00 0.53 C ATOM 909 C THR A 57 17.129 3.907 -15.493 1.00 11.41 C ATOM 910 O THR A 57 17.205 4.634 -14.503 1.00 5.22 O ATOM 911 CB THR A 57 16.131 4.696 -17.640 1.00 2.22 C ATOM 912 OG1 THR A 57 16.397 4.900 -19.032 1.00 61.51 O ATOM 913 CG2 THR A 57 15.405 5.907 -17.075 1.00 14.41 C ATOM 0 H THR A 57 17.924 3.188 -18.491 1.00 2.42 H new ATOM 0 HA THR A 57 17.990 5.386 -16.789 1.00 0.53 H new ATOM 0 HB THR A 57 15.494 3.820 -17.517 1.00 2.22 H new ATOM 0 HG1 THR A 57 16.988 5.674 -19.142 1.00 61.51 H new ATOM 0 HG21 THR A 57 14.477 6.065 -17.625 1.00 14.41 H new ATOM 0 HG22 THR A 57 15.178 5.737 -16.023 1.00 14.41 H new ATOM 0 HG23 THR A 57 16.038 6.789 -17.172 1.00 14.41 H new ATOM 921 N ALA A 58 16.771 2.629 -15.426 1.00 53.32 N ATOM 922 CA ALA A 58 16.442 1.993 -14.157 1.00 13.34 C ATOM 923 C ALA A 58 17.691 1.780 -13.309 1.00 45.23 C ATOM 924 O ALA A 58 17.724 2.139 -12.133 1.00 35.25 O ATOM 925 CB ALA A 58 15.733 0.669 -14.398 1.00 21.31 C ATOM 0 H ALA A 58 16.701 2.014 -16.236 1.00 53.32 H new ATOM 0 HA ALA A 58 15.772 2.657 -13.610 1.00 13.34 H new ATOM 0 HB1 ALA A 58 15.493 0.205 -13.441 1.00 21.31 H new ATOM 0 HB2 ALA A 58 14.814 0.845 -14.956 1.00 21.31 H new ATOM 0 HB3 ALA A 58 16.383 0.007 -14.969 1.00 21.31 H new ATOM 931 N ALA A 59 18.719 1.194 -13.915 1.00 73.22 N ATOM 932 CA ALA A 59 19.971 0.934 -13.216 1.00 41.22 C ATOM 933 C ALA A 59 20.596 2.230 -12.709 1.00 73.25 C ATOM 934 O ALA A 59 21.338 2.230 -11.727 1.00 71.42 O ATOM 935 CB ALA A 59 20.942 0.199 -14.128 1.00 42.55 C ATOM 0 H ALA A 59 18.709 0.890 -14.889 1.00 73.22 H new ATOM 0 HA ALA A 59 19.753 0.305 -12.353 1.00 41.22 H new ATOM 0 HB1 ALA A 59 21.873 0.011 -13.593 1.00 42.55 H new ATOM 0 HB2 ALA A 59 20.504 -0.750 -14.437 1.00 42.55 H new ATOM 0 HB3 ALA A 59 21.146 0.808 -15.009 1.00 42.55 H new ATOM 941 N ASP A 60 20.291 3.332 -13.386 1.00 21.13 N ATOM 942 CA ASP A 60 20.823 4.635 -13.003 1.00 74.05 C ATOM 943 C ASP A 60 20.161 5.138 -11.724 1.00 74.15 C ATOM 944 O ASP A 60 20.839 5.552 -10.784 1.00 51.44 O ATOM 945 CB ASP A 60 20.614 5.646 -14.132 1.00 72.21 C ATOM 946 CG ASP A 60 20.952 7.062 -13.711 1.00 2.23 C ATOM 947 OD1 ASP A 60 22.153 7.359 -13.541 1.00 50.42 O ATOM 948 OD2 ASP A 60 20.016 7.873 -13.550 1.00 1.43 O ATOM 0 H ASP A 60 19.679 3.349 -14.202 1.00 21.13 H new ATOM 0 HA ASP A 60 21.891 4.524 -12.818 1.00 74.05 H new ATOM 0 HB2 ASP A 60 21.232 5.366 -14.985 1.00 72.21 H new ATOM 0 HB3 ASP A 60 19.576 5.607 -14.464 1.00 72.21 H new ATOM 953 N ARG A 61 18.832 5.099 -11.697 1.00 44.30 N ATOM 954 CA ARG A 61 18.079 5.553 -10.535 1.00 12.34 C ATOM 955 C ARG A 61 18.566 4.859 -9.266 1.00 11.41 C ATOM 956 O ARG A 61 18.602 5.460 -8.193 1.00 10.44 O ATOM 957 CB ARG A 61 16.585 5.287 -10.733 1.00 3.43 C ATOM 958 CG ARG A 61 15.780 6.538 -11.046 1.00 63.00 C ATOM 959 CD ARG A 61 16.131 7.098 -12.416 1.00 21.32 C ATOM 960 NE ARG A 61 17.223 8.066 -12.348 1.00 73.54 N ATOM 961 CZ ARG A 61 17.062 9.329 -11.972 1.00 42.31 C ATOM 962 NH1 ARG A 61 15.861 9.775 -11.631 1.00 2.44 N ATOM 963 NH2 ARG A 61 18.104 10.150 -11.936 1.00 65.32 N ATOM 0 H ARG A 61 18.256 4.758 -12.466 1.00 44.30 H new ATOM 0 HA ARG A 61 18.239 6.626 -10.426 1.00 12.34 H new ATOM 0 HB2 ARG A 61 16.457 4.570 -11.544 1.00 3.43 H new ATOM 0 HB3 ARG A 61 16.184 4.823 -9.831 1.00 3.43 H new ATOM 0 HG2 ARG A 61 14.716 6.306 -11.008 1.00 63.00 H new ATOM 0 HG3 ARG A 61 15.969 7.294 -10.284 1.00 63.00 H new ATOM 0 HD2 ARG A 61 16.412 6.281 -13.081 1.00 21.32 H new ATOM 0 HD3 ARG A 61 15.251 7.574 -12.850 1.00 21.32 H new ATOM 0 HE ARG A 61 18.160 7.755 -12.603 1.00 73.54 H new ATOM 0 HH11 ARG A 61 15.058 9.147 -11.657 1.00 2.44 H new ATOM 0 HH12 ARG A 61 15.740 10.746 -11.343 1.00 2.44 H new ATOM 0 HH21 ARG A 61 19.030 9.811 -12.197 1.00 65.32 H new ATOM 0 HH22 ARG A 61 17.979 11.120 -11.647 1.00 65.32 H new ATOM 977 N ALA A 62 18.939 3.591 -9.398 1.00 21.34 N ATOM 978 CA ALA A 62 19.425 2.816 -8.263 1.00 23.31 C ATOM 979 C ALA A 62 20.914 3.053 -8.034 1.00 22.43 C ATOM 980 O ALA A 62 21.342 3.341 -6.916 1.00 74.04 O ATOM 981 CB ALA A 62 19.152 1.335 -8.479 1.00 73.32 C ATOM 0 H ALA A 62 18.914 3.078 -10.279 1.00 21.34 H new ATOM 0 HA ALA A 62 18.890 3.147 -7.373 1.00 23.31 H new ATOM 0 HB1 ALA A 62 19.520 0.769 -7.624 1.00 73.32 H new ATOM 0 HB2 ALA A 62 18.079 1.175 -8.586 1.00 73.32 H new ATOM 0 HB3 ALA A 62 19.661 0.999 -9.383 1.00 73.32 H new ATOM 987 N ALA A 63 21.699 2.928 -9.099 1.00 2.31 N ATOM 988 CA ALA A 63 23.140 3.130 -9.014 1.00 2.35 C ATOM 989 C ALA A 63 23.469 4.482 -8.388 1.00 20.42 C ATOM 990 O ALA A 63 24.521 4.653 -7.771 1.00 33.41 O ATOM 991 CB ALA A 63 23.772 3.018 -10.393 1.00 75.23 C ATOM 0 H ALA A 63 21.361 2.688 -10.031 1.00 2.31 H new ATOM 0 HA ALA A 63 23.553 2.351 -8.373 1.00 2.35 H new ATOM 0 HB1 ALA A 63 24.848 3.171 -10.314 1.00 75.23 H new ATOM 0 HB2 ALA A 63 23.576 2.028 -10.804 1.00 75.23 H new ATOM 0 HB3 ALA A 63 23.345 3.775 -11.051 1.00 75.23 H new ATOM 997 N LYS A 64 22.563 5.440 -8.551 1.00 44.02 N ATOM 998 CA LYS A 64 22.756 6.777 -8.002 1.00 61.02 C ATOM 999 C LYS A 64 22.900 6.726 -6.485 1.00 3.45 C ATOM 1000 O LYS A 64 23.403 7.665 -5.867 1.00 74.44 O ATOM 1001 CB LYS A 64 21.582 7.681 -8.384 1.00 11.43 C ATOM 1002 CG LYS A 64 21.737 8.338 -9.745 1.00 32.43 C ATOM 1003 CD LYS A 64 22.928 9.280 -9.777 1.00 65.10 C ATOM 1004 CE LYS A 64 22.823 10.349 -8.701 1.00 12.34 C ATOM 1005 NZ LYS A 64 23.829 11.430 -8.892 1.00 2.11 N ATOM 0 H LYS A 64 21.687 5.315 -9.059 1.00 44.02 H new ATOM 0 HA LYS A 64 23.674 7.187 -8.423 1.00 61.02 H new ATOM 0 HB2 LYS A 64 20.664 7.093 -8.376 1.00 11.43 H new ATOM 0 HB3 LYS A 64 21.470 8.457 -7.626 1.00 11.43 H new ATOM 0 HG2 LYS A 64 21.859 7.570 -10.509 1.00 32.43 H new ATOM 0 HG3 LYS A 64 20.829 8.890 -9.989 1.00 32.43 H new ATOM 0 HD2 LYS A 64 23.847 8.711 -9.637 1.00 65.10 H new ATOM 0 HD3 LYS A 64 22.992 9.754 -10.757 1.00 65.10 H new ATOM 0 HE2 LYS A 64 21.821 10.779 -8.713 1.00 12.34 H new ATOM 0 HE3 LYS A 64 22.962 9.893 -7.721 1.00 12.34 H new ATOM 0 HZ1 LYS A 64 23.724 12.139 -8.138 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 24.786 11.024 -8.855 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 23.680 11.883 -9.816 1.00 2.11 H new ATOM 1019 N GLY A 65 22.457 5.623 -5.889 1.00 3.23 N ATOM 1020 CA GLY A 65 22.548 5.471 -4.448 1.00 74.24 C ATOM 1021 C GLY A 65 21.187 5.457 -3.780 1.00 51.24 C ATOM 1022 O GLY A 65 21.080 5.659 -2.571 1.00 53.43 O ATOM 0 H GLY A 65 22.037 4.832 -6.378 1.00 3.23 H new ATOM 0 HA2 GLY A 65 23.073 4.544 -4.216 1.00 74.24 H new ATOM 0 HA3 GLY A 65 23.143 6.286 -4.036 1.00 74.24 H new ATOM 1026 N ALA A 66 20.144 5.220 -4.570 1.00 24.24 N ATOM 1027 CA ALA A 66 18.784 5.181 -4.047 1.00 61.53 C ATOM 1028 C ALA A 66 18.495 6.399 -3.178 1.00 14.32 C ATOM 1029 O ALA A 66 18.321 6.281 -1.965 1.00 12.34 O ATOM 1030 CB ALA A 66 18.559 3.900 -3.257 1.00 2.24 C ATOM 0 H ALA A 66 20.215 5.052 -5.574 1.00 24.24 H new ATOM 0 HA ALA A 66 18.095 5.199 -4.892 1.00 61.53 H new ATOM 0 HB1 ALA A 66 17.539 3.884 -2.872 1.00 2.24 H new ATOM 0 HB2 ALA A 66 18.715 3.039 -3.907 1.00 2.24 H new ATOM 0 HB3 ALA A 66 19.262 3.858 -2.425 1.00 2.24 H new ATOM 1036 N TYR A 67 18.445 7.569 -3.805 1.00 53.10 N ATOM 1037 CA TYR A 67 18.179 8.810 -3.088 1.00 3.45 C ATOM 1038 C TYR A 67 16.963 8.665 -2.178 1.00 22.40 C ATOM 1039 O TYR A 67 16.893 9.276 -1.113 1.00 41.50 O ATOM 1040 CB TYR A 67 17.957 9.957 -4.075 1.00 0.30 C ATOM 1041 CG TYR A 67 17.537 11.251 -3.415 1.00 44.53 C ATOM 1042 CD1 TYR A 67 18.437 11.991 -2.658 1.00 1.25 C ATOM 1043 CD2 TYR A 67 16.241 11.734 -3.549 1.00 5.12 C ATOM 1044 CE1 TYR A 67 18.058 13.174 -2.052 1.00 62.13 C ATOM 1045 CE2 TYR A 67 15.854 12.916 -2.949 1.00 2.45 C ATOM 1046 CZ TYR A 67 16.766 13.633 -2.201 1.00 71.52 C ATOM 1047 OH TYR A 67 16.384 14.810 -1.600 1.00 54.04 O ATOM 0 H TYR A 67 18.585 7.684 -4.809 1.00 53.10 H new ATOM 0 HA TYR A 67 19.048 9.035 -2.469 1.00 3.45 H new ATOM 0 HB2 TYR A 67 18.877 10.126 -4.635 1.00 0.30 H new ATOM 0 HB3 TYR A 67 17.194 9.662 -4.796 1.00 0.30 H new ATOM 0 HD1 TYR A 67 19.450 11.636 -2.541 1.00 1.25 H new ATOM 0 HD2 TYR A 67 15.524 11.175 -4.132 1.00 5.12 H new ATOM 0 HE1 TYR A 67 18.770 13.736 -1.465 1.00 62.13 H new ATOM 0 HE2 TYR A 67 14.843 13.278 -3.064 1.00 2.45 H new ATOM 0 HH TYR A 67 15.443 14.991 -1.805 1.00 54.04 H new ATOM 1057 N GLY A 68 16.006 7.848 -2.607 1.00 71.51 N ATOM 1058 CA GLY A 68 14.805 7.634 -1.821 1.00 10.34 C ATOM 1059 C GLY A 68 13.866 8.824 -1.862 1.00 24.14 C ATOM 1060 O GLY A 68 13.785 9.525 -2.870 1.00 60.15 O ATOM 0 H GLY A 68 16.041 7.330 -3.485 1.00 71.51 H new ATOM 0 HA2 GLY A 68 14.284 6.751 -2.192 1.00 10.34 H new ATOM 0 HA3 GLY A 68 15.083 7.430 -0.787 1.00 10.34 H new ATOM 1064 N TYR A 69 13.155 9.052 -0.763 1.00 75.45 N ATOM 1065 CA TYR A 69 12.214 10.162 -0.679 1.00 55.23 C ATOM 1066 C TYR A 69 11.229 10.132 -1.844 1.00 61.34 C ATOM 1067 O TYR A 69 11.460 10.751 -2.883 1.00 13.41 O ATOM 1068 CB TYR A 69 12.965 11.495 -0.666 1.00 74.44 C ATOM 1069 CG TYR A 69 12.901 12.213 0.663 1.00 63.42 C ATOM 1070 CD1 TYR A 69 13.234 11.560 1.844 1.00 73.34 C ATOM 1071 CD2 TYR A 69 12.508 13.543 0.738 1.00 4.03 C ATOM 1072 CE1 TYR A 69 13.177 12.211 3.060 1.00 13.35 C ATOM 1073 CE2 TYR A 69 12.450 14.203 1.950 1.00 30.15 C ATOM 1074 CZ TYR A 69 12.785 13.533 3.109 1.00 72.24 C ATOM 1075 OH TYR A 69 12.727 14.186 4.318 1.00 15.23 O ATOM 0 H TYR A 69 13.213 8.483 0.082 1.00 75.45 H new ATOM 0 HA TYR A 69 11.653 10.059 0.250 1.00 55.23 H new ATOM 0 HB2 TYR A 69 14.009 11.317 -0.923 1.00 74.44 H new ATOM 0 HB3 TYR A 69 12.552 12.143 -1.440 1.00 74.44 H new ATOM 0 HD1 TYR A 69 13.543 10.526 1.810 1.00 73.34 H new ATOM 0 HD2 TYR A 69 12.243 14.070 -0.167 1.00 4.03 H new ATOM 0 HE1 TYR A 69 13.438 11.688 3.968 1.00 13.35 H new ATOM 0 HE2 TYR A 69 12.144 15.238 1.990 1.00 30.15 H new ATOM 0 HH TYR A 69 12.434 15.110 4.177 1.00 15.23 H new ATOM 1085 N ASP A 70 10.131 9.407 -1.663 1.00 71.34 N ATOM 1086 CA ASP A 70 9.109 9.296 -2.698 1.00 31.52 C ATOM 1087 C ASP A 70 7.713 9.276 -2.083 1.00 0.33 C ATOM 1088 O ASP A 70 7.378 8.383 -1.305 1.00 60.41 O ATOM 1089 CB ASP A 70 9.331 8.031 -3.530 1.00 14.51 C ATOM 1090 CG ASP A 70 9.181 8.284 -5.017 1.00 62.13 C ATOM 1091 OD1 ASP A 70 8.301 9.084 -5.398 1.00 71.02 O ATOM 1092 OD2 ASP A 70 9.945 7.682 -5.800 1.00 41.14 O ATOM 0 H ASP A 70 9.925 8.887 -0.810 1.00 71.34 H new ATOM 0 HA ASP A 70 9.188 10.168 -3.347 1.00 31.52 H new ATOM 0 HB2 ASP A 70 10.328 7.638 -3.330 1.00 14.51 H new ATOM 0 HB3 ASP A 70 8.619 7.266 -3.221 1.00 14.51 H new ATOM 1097 N VAL A 71 6.903 10.269 -2.436 1.00 14.24 N ATOM 1098 CA VAL A 71 5.543 10.367 -1.919 1.00 31.44 C ATOM 1099 C VAL A 71 4.744 9.107 -2.233 1.00 31.11 C ATOM 1100 O VAL A 71 3.804 8.763 -1.518 1.00 34.45 O ATOM 1101 CB VAL A 71 4.807 11.587 -2.502 1.00 53.21 C ATOM 1102 CG1 VAL A 71 4.544 11.393 -3.988 1.00 24.23 C ATOM 1103 CG2 VAL A 71 3.507 11.834 -1.751 1.00 2.42 C ATOM 0 H VAL A 71 7.165 11.017 -3.078 1.00 14.24 H new ATOM 0 HA VAL A 71 5.623 10.483 -0.838 1.00 31.44 H new ATOM 0 HB VAL A 71 5.443 12.464 -2.381 1.00 53.21 H new ATOM 0 HG11 VAL A 71 4.023 12.266 -4.382 1.00 24.23 H new ATOM 0 HG12 VAL A 71 5.492 11.269 -4.512 1.00 24.23 H new ATOM 0 HG13 VAL A 71 3.929 10.506 -4.136 1.00 24.23 H new ATOM 0 HG21 VAL A 71 3.000 12.700 -2.176 1.00 2.42 H new ATOM 0 HG22 VAL A 71 2.864 10.958 -1.838 1.00 2.42 H new ATOM 0 HG23 VAL A 71 3.724 12.021 -0.699 1.00 2.42 H new ATOM 1113 N GLN A 72 5.125 8.423 -3.307 1.00 43.41 N ATOM 1114 CA GLN A 72 4.444 7.201 -3.716 1.00 54.11 C ATOM 1115 C GLN A 72 5.133 6.571 -4.922 1.00 33.22 C ATOM 1116 O GLN A 72 4.478 6.174 -5.887 1.00 44.10 O ATOM 1117 CB GLN A 72 2.979 7.495 -4.047 1.00 23.04 C ATOM 1118 CG GLN A 72 2.032 6.367 -3.670 1.00 3.14 C ATOM 1119 CD GLN A 72 1.070 6.758 -2.565 1.00 72.25 C ATOM 1120 OE1 GLN A 72 -0.135 6.877 -2.790 1.00 11.11 O ATOM 1121 NE2 GLN A 72 1.597 6.959 -1.364 1.00 4.24 N ATOM 0 H GLN A 72 5.902 8.695 -3.910 1.00 43.41 H new ATOM 0 HA GLN A 72 4.488 6.496 -2.886 1.00 54.11 H new ATOM 0 HB2 GLN A 72 2.673 8.404 -3.528 1.00 23.04 H new ATOM 0 HB3 GLN A 72 2.889 7.692 -5.115 1.00 23.04 H new ATOM 0 HG2 GLN A 72 1.465 6.064 -4.550 1.00 3.14 H new ATOM 0 HG3 GLN A 72 2.613 5.501 -3.352 1.00 3.14 H new ATOM 0 HE21 GLN A 72 2.601 6.849 -1.223 1.00 4.24 H new ATOM 0 HE22 GLN A 72 0.998 7.223 -0.582 1.00 4.24 H new ATOM 1130 N LEU A 73 6.457 6.482 -4.860 1.00 73.24 N ATOM 1131 CA LEU A 73 7.236 5.900 -5.948 1.00 34.42 C ATOM 1132 C LEU A 73 6.873 6.543 -7.282 1.00 60.15 C ATOM 1133 O LEU A 73 6.781 5.865 -8.307 1.00 14.14 O ATOM 1134 CB LEU A 73 7.003 4.389 -6.017 1.00 13.34 C ATOM 1135 CG LEU A 73 7.342 3.600 -4.752 1.00 35.41 C ATOM 1136 CD1 LEU A 73 8.635 4.109 -4.135 1.00 12.11 C ATOM 1137 CD2 LEU A 73 6.200 3.684 -3.749 1.00 24.13 C ATOM 0 H LEU A 73 7.013 6.805 -4.069 1.00 73.24 H new ATOM 0 HA LEU A 73 8.291 6.090 -5.749 1.00 34.42 H new ATOM 0 HB2 LEU A 73 5.955 4.214 -6.261 1.00 13.34 H new ATOM 0 HB3 LEU A 73 7.593 3.988 -6.841 1.00 13.34 H new ATOM 0 HG LEU A 73 7.482 2.554 -5.026 1.00 35.41 H new ATOM 0 HD11 LEU A 73 8.860 3.535 -3.236 1.00 12.11 H new ATOM 0 HD12 LEU A 73 9.449 3.995 -4.851 1.00 12.11 H new ATOM 0 HD13 LEU A 73 8.524 5.162 -3.875 1.00 12.11 H new ATOM 0 HD21 LEU A 73 6.459 3.117 -2.855 1.00 24.13 H new ATOM 0 HD22 LEU A 73 6.028 4.726 -3.480 1.00 24.13 H new ATOM 0 HD23 LEU A 73 5.295 3.269 -4.193 1.00 24.13 H new ATOM 1149 N THR A 74 6.670 7.857 -7.265 1.00 22.33 N ATOM 1150 CA THR A 74 6.319 8.592 -8.473 1.00 1.21 C ATOM 1151 C THR A 74 7.531 8.771 -9.379 1.00 44.44 C ATOM 1152 O THR A 74 7.397 8.897 -10.597 1.00 73.22 O ATOM 1153 CB THR A 74 5.734 9.977 -8.137 1.00 50.14 C ATOM 1154 OG1 THR A 74 4.594 9.833 -7.282 1.00 45.42 O ATOM 1155 CG2 THR A 74 5.333 10.717 -9.405 1.00 20.41 C ATOM 0 H THR A 74 6.743 8.434 -6.427 1.00 22.33 H new ATOM 0 HA THR A 74 5.564 8.003 -8.994 1.00 1.21 H new ATOM 0 HB THR A 74 6.501 10.557 -7.624 1.00 50.14 H new ATOM 0 HG1 THR A 74 4.229 10.718 -7.072 1.00 45.42 H new ATOM 0 HG21 THR A 74 4.923 11.692 -9.143 1.00 20.41 H new ATOM 0 HG22 THR A 74 6.208 10.851 -10.041 1.00 20.41 H new ATOM 0 HG23 THR A 74 4.580 10.139 -9.941 1.00 20.41 H new ATOM 1163 N THR A 75 8.717 8.782 -8.779 1.00 5.22 N ATOM 1164 CA THR A 75 9.954 8.946 -9.532 1.00 42.51 C ATOM 1165 C THR A 75 10.145 7.810 -10.530 1.00 42.21 C ATOM 1166 O THR A 75 10.532 8.036 -11.678 1.00 1.45 O ATOM 1167 CB THR A 75 11.177 9.005 -8.598 1.00 25.12 C ATOM 1168 OG1 THR A 75 11.409 7.719 -8.013 1.00 21.41 O ATOM 1169 CG2 THR A 75 10.971 10.037 -7.500 1.00 11.23 C ATOM 0 H THR A 75 8.847 8.679 -7.773 1.00 5.22 H new ATOM 0 HA THR A 75 9.873 9.890 -10.071 1.00 42.51 H new ATOM 0 HB THR A 75 12.044 9.297 -9.190 1.00 25.12 H new ATOM 0 HG1 THR A 75 10.869 7.627 -7.200 1.00 21.41 H new ATOM 0 HG21 THR A 75 11.848 10.060 -6.853 1.00 11.23 H new ATOM 0 HG22 THR A 75 10.824 11.020 -7.947 1.00 11.23 H new ATOM 0 HG23 THR A 75 10.093 9.772 -6.911 1.00 11.23 H new ATOM 1177 N LEU A 76 9.871 6.588 -10.087 1.00 42.15 N ATOM 1178 CA LEU A 76 10.012 5.415 -10.943 1.00 61.11 C ATOM 1179 C LEU A 76 8.864 5.330 -11.944 1.00 44.02 C ATOM 1180 O LEU A 76 9.081 5.112 -13.137 1.00 13.34 O ATOM 1181 CB LEU A 76 10.059 4.143 -10.095 1.00 10.04 C ATOM 1182 CG LEU A 76 11.288 3.253 -10.286 1.00 12.41 C ATOM 1183 CD1 LEU A 76 12.379 3.631 -9.297 1.00 5.12 C ATOM 1184 CD2 LEU A 76 10.913 1.786 -10.135 1.00 12.32 C ATOM 0 H LEU A 76 9.550 6.383 -9.141 1.00 42.15 H new ATOM 0 HA LEU A 76 10.946 5.510 -11.497 1.00 61.11 H new ATOM 0 HB2 LEU A 76 10.002 4.428 -9.045 1.00 10.04 H new ATOM 0 HB3 LEU A 76 9.170 3.552 -10.313 1.00 10.04 H new ATOM 0 HG LEU A 76 11.671 3.407 -11.295 1.00 12.41 H new ATOM 0 HD11 LEU A 76 13.246 2.987 -9.448 1.00 5.12 H new ATOM 0 HD12 LEU A 76 12.668 4.670 -9.453 1.00 5.12 H new ATOM 0 HD13 LEU A 76 12.007 3.507 -8.280 1.00 5.12 H new ATOM 0 HD21 LEU A 76 11.800 1.168 -10.274 1.00 12.32 H new ATOM 0 HD22 LEU A 76 10.504 1.616 -9.139 1.00 12.32 H new ATOM 0 HD23 LEU A 76 10.166 1.523 -10.884 1.00 12.32 H new ATOM 1196 N LYS A 77 7.643 5.505 -11.452 1.00 53.40 N ATOM 1197 CA LYS A 77 6.460 5.452 -12.303 1.00 13.53 C ATOM 1198 C LYS A 77 6.515 6.532 -13.379 1.00 14.23 C ATOM 1199 O LYS A 77 6.015 6.342 -14.487 1.00 61.20 O ATOM 1200 CB LYS A 77 5.193 5.620 -11.461 1.00 11.53 C ATOM 1201 CG LYS A 77 4.287 4.401 -11.475 1.00 51.51 C ATOM 1202 CD LYS A 77 4.981 3.184 -10.887 1.00 53.12 C ATOM 1203 CE LYS A 77 5.145 3.310 -9.380 1.00 61.24 C ATOM 1204 NZ LYS A 77 6.499 2.881 -8.932 1.00 72.44 N ATOM 0 H LYS A 77 7.446 5.685 -10.467 1.00 53.40 H new ATOM 0 HA LYS A 77 6.438 4.478 -12.792 1.00 13.53 H new ATOM 0 HB2 LYS A 77 5.477 5.839 -10.432 1.00 11.53 H new ATOM 0 HB3 LYS A 77 4.635 6.481 -11.828 1.00 11.53 H new ATOM 0 HG2 LYS A 77 3.381 4.614 -10.908 1.00 51.51 H new ATOM 0 HG3 LYS A 77 3.980 4.187 -12.499 1.00 51.51 H new ATOM 0 HD2 LYS A 77 4.404 2.288 -11.118 1.00 53.12 H new ATOM 0 HD3 LYS A 77 5.959 3.062 -11.352 1.00 53.12 H new ATOM 0 HE2 LYS A 77 4.974 4.344 -9.081 1.00 61.24 H new ATOM 0 HE3 LYS A 77 4.388 2.705 -8.880 1.00 61.24 H new ATOM 0 HZ1 LYS A 77 6.434 2.465 -7.981 1.00 72.44 H new ATOM 0 HZ2 LYS A 77 6.876 2.173 -9.594 1.00 72.44 H new ATOM 0 HZ3 LYS A 77 7.134 3.705 -8.907 1.00 72.44 H new ATOM 1218 N GLU A 78 7.126 7.664 -13.044 1.00 53.41 N ATOM 1219 CA GLU A 78 7.246 8.773 -13.983 1.00 55.43 C ATOM 1220 C GLU A 78 8.308 8.480 -15.038 1.00 43.34 C ATOM 1221 O GLU A 78 8.189 8.902 -16.189 1.00 72.30 O ATOM 1222 CB GLU A 78 7.592 10.065 -13.240 1.00 12.20 C ATOM 1223 CG GLU A 78 7.632 11.291 -14.137 1.00 12.35 C ATOM 1224 CD GLU A 78 8.255 12.493 -13.454 1.00 4.22 C ATOM 1225 OE1 GLU A 78 9.022 12.296 -12.488 1.00 13.11 O ATOM 1226 OE2 GLU A 78 7.977 13.631 -13.886 1.00 52.25 O ATOM 0 H GLU A 78 7.545 7.837 -12.130 1.00 53.41 H new ATOM 0 HA GLU A 78 6.286 8.897 -14.484 1.00 55.43 H new ATOM 0 HB2 GLU A 78 6.859 10.227 -12.450 1.00 12.20 H new ATOM 0 HB3 GLU A 78 8.562 9.947 -12.756 1.00 12.20 H new ATOM 0 HG2 GLU A 78 8.196 11.058 -15.040 1.00 12.35 H new ATOM 0 HG3 GLU A 78 6.618 11.541 -14.450 1.00 12.35 H new ATOM 1233 N ASP A 79 9.347 7.756 -14.638 1.00 3.14 N ATOM 1234 CA ASP A 79 10.432 7.406 -15.548 1.00 33.44 C ATOM 1235 C ASP A 79 9.981 6.344 -16.547 1.00 1.44 C ATOM 1236 O ASP A 79 10.193 6.483 -17.752 1.00 31.13 O ATOM 1237 CB ASP A 79 11.643 6.902 -14.761 1.00 41.14 C ATOM 1238 CG ASP A 79 12.851 7.805 -14.918 1.00 60.22 C ATOM 1239 OD1 ASP A 79 12.659 9.024 -15.110 1.00 24.43 O ATOM 1240 OD2 ASP A 79 13.988 7.292 -14.850 1.00 40.24 O ATOM 0 H ASP A 79 9.461 7.400 -13.689 1.00 3.14 H new ATOM 0 HA ASP A 79 10.715 8.302 -16.100 1.00 33.44 H new ATOM 0 HB2 ASP A 79 11.382 6.829 -13.705 1.00 41.14 H new ATOM 0 HB3 ASP A 79 11.898 5.897 -15.096 1.00 41.14 H new ATOM 1245 N ILE A 80 9.360 5.286 -16.038 1.00 23.35 N ATOM 1246 CA ILE A 80 8.880 4.201 -16.885 1.00 43.53 C ATOM 1247 C ILE A 80 7.931 4.722 -17.959 1.00 44.44 C ATOM 1248 O ILE A 80 7.983 4.289 -19.111 1.00 10.24 O ATOM 1249 CB ILE A 80 8.159 3.119 -16.061 1.00 24.14 C ATOM 1250 CG1 ILE A 80 7.596 2.036 -16.982 1.00 73.44 C ATOM 1251 CG2 ILE A 80 7.050 3.741 -15.225 1.00 24.41 C ATOM 1252 CD1 ILE A 80 8.644 1.375 -17.850 1.00 20.32 C ATOM 0 H ILE A 80 9.177 5.157 -15.043 1.00 23.35 H new ATOM 0 HA ILE A 80 9.757 3.760 -17.359 1.00 43.53 H new ATOM 0 HB ILE A 80 8.880 2.657 -15.387 1.00 24.14 H new ATOM 0 HG12 ILE A 80 7.105 1.275 -16.376 1.00 73.44 H new ATOM 0 HG13 ILE A 80 6.831 2.476 -17.622 1.00 73.44 H new ATOM 0 HG21 ILE A 80 6.550 2.963 -14.648 1.00 24.41 H new ATOM 0 HG22 ILE A 80 7.477 4.479 -14.546 1.00 24.41 H new ATOM 0 HG23 ILE A 80 6.328 4.227 -15.882 1.00 24.41 H new ATOM 0 HD11 ILE A 80 8.173 0.618 -18.477 1.00 20.32 H new ATOM 0 HD12 ILE A 80 9.119 2.125 -18.482 1.00 20.32 H new ATOM 0 HD13 ILE A 80 9.397 0.905 -17.217 1.00 20.32 H new ATOM 1264 N ARG A 81 7.067 5.656 -17.575 1.00 72.33 N ATOM 1265 CA ARG A 81 6.106 6.237 -18.506 1.00 24.34 C ATOM 1266 C ARG A 81 6.795 7.203 -19.465 1.00 60.44 C ATOM 1267 O ARG A 81 6.377 7.357 -20.614 1.00 24.02 O ATOM 1268 CB ARG A 81 4.999 6.964 -17.741 1.00 30.14 C ATOM 1269 CG ARG A 81 5.484 8.193 -16.990 1.00 13.43 C ATOM 1270 CD ARG A 81 4.323 8.982 -16.404 1.00 51.12 C ATOM 1271 NE ARG A 81 3.725 9.885 -17.384 1.00 73.33 N ATOM 1272 CZ ARG A 81 2.532 10.450 -17.231 1.00 45.01 C ATOM 1273 NH1 ARG A 81 1.815 10.208 -16.143 1.00 30.51 N ATOM 1274 NH2 ARG A 81 2.056 11.260 -18.168 1.00 11.34 N ATOM 0 H ARG A 81 7.012 6.027 -16.626 1.00 72.33 H new ATOM 0 HA ARG A 81 5.665 5.427 -19.087 1.00 24.34 H new ATOM 0 HB2 ARG A 81 4.219 7.261 -18.442 1.00 30.14 H new ATOM 0 HB3 ARG A 81 4.544 6.272 -17.033 1.00 30.14 H new ATOM 0 HG2 ARG A 81 6.159 7.889 -16.190 1.00 13.43 H new ATOM 0 HG3 ARG A 81 6.055 8.831 -17.664 1.00 13.43 H new ATOM 0 HD2 ARG A 81 3.564 8.291 -16.037 1.00 51.12 H new ATOM 0 HD3 ARG A 81 4.672 9.557 -15.546 1.00 51.12 H new ATOM 0 HE ARG A 81 4.252 10.093 -18.232 1.00 73.33 H new ATOM 0 HH11 ARG A 81 2.179 9.587 -15.420 1.00 30.51 H new ATOM 0 HH12 ARG A 81 0.900 10.643 -16.028 1.00 30.51 H new ATOM 0 HH21 ARG A 81 2.606 11.449 -19.006 1.00 11.34 H new ATOM 0 HH22 ARG A 81 1.140 11.693 -18.050 1.00 11.34 H new ATOM 1288 N LEU A 82 7.851 7.851 -18.987 1.00 64.32 N ATOM 1289 CA LEU A 82 8.598 8.802 -19.802 1.00 45.53 C ATOM 1290 C LEU A 82 9.349 8.089 -20.923 1.00 14.05 C ATOM 1291 O LEU A 82 9.342 8.535 -22.069 1.00 41.43 O ATOM 1292 CB LEU A 82 9.583 9.586 -18.933 1.00 11.44 C ATOM 1293 CG LEU A 82 10.206 10.826 -19.575 1.00 3.10 C ATOM 1294 CD1 LEU A 82 11.267 10.426 -20.589 1.00 33.21 C ATOM 1295 CD2 LEU A 82 9.134 11.683 -20.232 1.00 72.41 C ATOM 0 H LEU A 82 8.209 7.735 -18.039 1.00 64.32 H new ATOM 0 HA LEU A 82 7.886 9.495 -20.250 1.00 45.53 H new ATOM 0 HB2 LEU A 82 9.068 9.893 -18.022 1.00 11.44 H new ATOM 0 HB3 LEU A 82 10.387 8.914 -18.634 1.00 11.44 H new ATOM 0 HG LEU A 82 10.684 11.415 -18.792 1.00 3.10 H new ATOM 0 HD11 LEU A 82 11.699 11.321 -21.036 1.00 33.21 H new ATOM 0 HD12 LEU A 82 12.050 9.855 -20.090 1.00 33.21 H new ATOM 0 HD13 LEU A 82 10.813 9.815 -21.369 1.00 33.21 H new ATOM 0 HD21 LEU A 82 9.596 12.561 -20.684 1.00 72.41 H new ATOM 0 HD22 LEU A 82 8.626 11.103 -21.003 1.00 72.41 H new ATOM 0 HD23 LEU A 82 8.410 12.000 -19.481 1.00 72.41 H new ATOM 1307 N MET A 83 9.992 6.977 -20.582 1.00 43.22 N ATOM 1308 CA MET A 83 10.744 6.200 -21.561 1.00 21.05 C ATOM 1309 C MET A 83 9.831 5.700 -22.675 1.00 71.33 C ATOM 1310 O MET A 83 10.096 5.925 -23.856 1.00 72.23 O ATOM 1311 CB MET A 83 11.435 5.016 -20.881 1.00 73.11 C ATOM 1312 CG MET A 83 12.459 5.428 -19.837 1.00 24.34 C ATOM 1313 SD MET A 83 13.044 4.036 -18.851 1.00 30.15 S ATOM 1314 CE MET A 83 12.523 4.539 -17.212 1.00 45.33 C ATOM 0 H MET A 83 10.008 6.594 -19.637 1.00 43.22 H new ATOM 0 HA MET A 83 11.501 6.850 -22.000 1.00 21.05 H new ATOM 0 HB2 MET A 83 10.680 4.387 -20.409 1.00 73.11 H new ATOM 0 HB3 MET A 83 11.927 4.408 -21.640 1.00 73.11 H new ATOM 0 HG2 MET A 83 13.308 5.900 -20.332 1.00 24.34 H new ATOM 0 HG3 MET A 83 12.019 6.176 -19.177 1.00 24.34 H new ATOM 0 HE1 MET A 83 13.267 4.223 -16.481 1.00 45.33 H new ATOM 0 HE2 MET A 83 12.420 5.624 -17.180 1.00 45.33 H new ATOM 0 HE3 MET A 83 11.564 4.077 -16.977 1.00 45.33 H new ATOM 1324 N VAL A 84 8.755 5.020 -22.292 1.00 71.34 N ATOM 1325 CA VAL A 84 7.802 4.488 -23.260 1.00 1.23 C ATOM 1326 C VAL A 84 7.240 5.596 -24.143 1.00 50.31 C ATOM 1327 O VAL A 84 6.928 5.374 -25.312 1.00 32.20 O ATOM 1328 CB VAL A 84 6.637 3.764 -22.560 1.00 31.31 C ATOM 1329 CG1 VAL A 84 5.895 4.716 -21.635 1.00 34.34 C ATOM 1330 CG2 VAL A 84 5.691 3.160 -23.588 1.00 4.25 C ATOM 0 H VAL A 84 8.521 4.824 -21.319 1.00 71.34 H new ATOM 0 HA VAL A 84 8.345 3.774 -23.879 1.00 1.23 H new ATOM 0 HB VAL A 84 7.046 2.954 -21.956 1.00 31.31 H new ATOM 0 HG11 VAL A 84 5.075 4.186 -21.149 1.00 34.34 H new ATOM 0 HG12 VAL A 84 6.581 5.096 -20.878 1.00 34.34 H new ATOM 0 HG13 VAL A 84 5.496 5.549 -22.214 1.00 34.34 H new ATOM 0 HG21 VAL A 84 4.874 2.652 -23.076 1.00 4.25 H new ATOM 0 HG22 VAL A 84 5.288 3.951 -24.220 1.00 4.25 H new ATOM 0 HG23 VAL A 84 6.233 2.444 -24.205 1.00 4.25 H new ATOM 1340 N ASN A 85 7.114 6.792 -23.576 1.00 22.45 N ATOM 1341 CA ASN A 85 6.589 7.936 -24.312 1.00 23.22 C ATOM 1342 C ASN A 85 7.572 8.387 -25.388 1.00 51.40 C ATOM 1343 O ASN A 85 7.188 8.630 -26.531 1.00 55.21 O ATOM 1344 CB ASN A 85 6.296 9.093 -23.355 1.00 51.32 C ATOM 1345 CG ASN A 85 4.939 8.964 -22.690 1.00 40.14 C ATOM 1346 OD1 ASN A 85 3.999 8.424 -23.273 1.00 53.02 O ATOM 1347 ND2 ASN A 85 4.832 9.461 -21.464 1.00 13.33 N ATOM 0 H ASN A 85 7.368 6.994 -22.609 1.00 22.45 H new ATOM 0 HA ASN A 85 5.662 7.631 -24.797 1.00 23.22 H new ATOM 0 HB2 ASN A 85 7.071 9.132 -22.589 1.00 51.32 H new ATOM 0 HB3 ASN A 85 6.341 10.034 -23.903 1.00 51.32 H new ATOM 0 HD21 ASN A 85 3.944 9.404 -20.966 1.00 13.33 H new ATOM 0 HD22 ASN A 85 5.638 9.900 -21.020 1.00 13.33 H new ATOM 1354 N ASN A 86 8.842 8.497 -25.013 1.00 43.12 N ATOM 1355 CA ASN A 86 9.881 8.919 -25.946 1.00 53.42 C ATOM 1356 C ASN A 86 10.242 7.790 -26.906 1.00 22.54 C ATOM 1357 O ASN A 86 10.798 8.027 -27.979 1.00 32.21 O ATOM 1358 CB ASN A 86 11.127 9.374 -25.183 1.00 74.13 C ATOM 1359 CG ASN A 86 11.697 10.670 -25.727 1.00 71.42 C ATOM 1360 OD1 ASN A 86 10.979 11.656 -25.893 1.00 33.40 O ATOM 1361 ND2 ASN A 86 12.995 10.673 -26.008 1.00 72.31 N ATOM 0 H ASN A 86 9.177 8.300 -24.070 1.00 43.12 H new ATOM 0 HA ASN A 86 9.494 9.756 -26.527 1.00 53.42 H new ATOM 0 HB2 ASN A 86 10.878 9.504 -24.130 1.00 74.13 H new ATOM 0 HB3 ASN A 86 11.887 8.595 -25.237 1.00 74.13 H new ATOM 0 HD21 ASN A 86 13.435 11.516 -26.377 1.00 72.31 H new ATOM 0 HD22 ASN A 86 13.552 9.832 -25.855 1.00 72.31 H new ATOM 1368 N CYS A 87 9.923 6.562 -26.512 1.00 32.21 N ATOM 1369 CA CYS A 87 10.214 5.394 -27.337 1.00 11.44 C ATOM 1370 C CYS A 87 9.386 5.414 -28.618 1.00 24.23 C ATOM 1371 O CYS A 87 9.925 5.573 -29.714 1.00 12.14 O ATOM 1372 CB CYS A 87 9.936 4.110 -26.555 1.00 32.32 C ATOM 1373 SG CYS A 87 11.372 3.459 -25.670 1.00 32.15 S ATOM 0 H CYS A 87 9.463 6.349 -25.627 1.00 32.21 H new ATOM 0 HA CYS A 87 11.269 5.424 -27.608 1.00 11.44 H new ATOM 0 HB2 CYS A 87 9.136 4.299 -25.839 1.00 32.32 H new ATOM 0 HB3 CYS A 87 9.572 3.349 -27.245 1.00 32.32 H new ATOM 0 HG CYS A 87 11.037 2.374 -25.037 1.00 32.15 H new ATOM 1379 N ILE A 88 8.076 5.249 -28.472 1.00 0.01 N ATOM 1380 CA ILE A 88 7.175 5.247 -29.617 1.00 53.14 C ATOM 1381 C ILE A 88 7.208 6.586 -30.346 1.00 4.43 C ATOM 1382 O ILE A 88 7.001 6.652 -31.558 1.00 75.20 O ATOM 1383 CB ILE A 88 5.726 4.942 -29.193 1.00 52.43 C ATOM 1384 CG1 ILE A 88 5.187 6.061 -28.299 1.00 23.12 C ATOM 1385 CG2 ILE A 88 5.654 3.603 -28.476 1.00 65.41 C ATOM 1386 CD1 ILE A 88 4.300 7.045 -29.029 1.00 62.43 C ATOM 0 H ILE A 88 7.615 5.115 -27.572 1.00 0.01 H new ATOM 0 HA ILE A 88 7.522 4.462 -30.289 1.00 53.14 H new ATOM 0 HB ILE A 88 5.106 4.886 -30.088 1.00 52.43 H new ATOM 0 HG12 ILE A 88 4.625 5.619 -27.477 1.00 23.12 H new ATOM 0 HG13 ILE A 88 6.026 6.599 -27.858 1.00 23.12 H new ATOM 0 HG21 ILE A 88 4.624 3.402 -28.183 1.00 65.41 H new ATOM 0 HG22 ILE A 88 6.002 2.814 -29.143 1.00 65.41 H new ATOM 0 HG23 ILE A 88 6.285 3.632 -27.588 1.00 65.41 H new ATOM 0 HD11 ILE A 88 3.955 7.810 -28.333 1.00 62.43 H new ATOM 0 HD12 ILE A 88 4.864 7.515 -29.834 1.00 62.43 H new ATOM 0 HD13 ILE A 88 3.441 6.520 -29.447 1.00 62.43 H new ATOM 1398 N LEU A 89 7.473 7.653 -29.599 1.00 62.22 N ATOM 1399 CA LEU A 89 7.537 8.992 -30.174 1.00 14.34 C ATOM 1400 C LEU A 89 8.809 9.173 -30.995 1.00 61.21 C ATOM 1401 O LEU A 89 8.758 9.302 -32.218 1.00 53.24 O ATOM 1402 CB LEU A 89 7.476 10.047 -29.067 1.00 24.40 C ATOM 1403 CG LEU A 89 7.422 11.503 -29.530 1.00 21.04 C ATOM 1404 CD1 LEU A 89 6.061 12.109 -29.226 1.00 11.23 C ATOM 1405 CD2 LEU A 89 8.528 12.314 -28.870 1.00 63.32 C ATOM 0 H LEU A 89 7.647 7.617 -28.595 1.00 62.22 H new ATOM 0 HA LEU A 89 6.680 9.118 -30.835 1.00 14.34 H new ATOM 0 HB2 LEU A 89 6.598 9.849 -28.452 1.00 24.40 H new ATOM 0 HB3 LEU A 89 8.349 9.923 -28.426 1.00 24.40 H new ATOM 0 HG LEU A 89 7.575 11.527 -30.609 1.00 21.04 H new ATOM 0 HD11 LEU A 89 6.041 13.146 -29.562 1.00 11.23 H new ATOM 0 HD12 LEU A 89 5.287 11.544 -29.745 1.00 11.23 H new ATOM 0 HD13 LEU A 89 5.878 12.073 -28.152 1.00 11.23 H new ATOM 0 HD21 LEU A 89 8.474 13.348 -29.211 1.00 63.32 H new ATOM 0 HD22 LEU A 89 8.406 12.282 -27.787 1.00 63.32 H new ATOM 0 HD23 LEU A 89 9.497 11.893 -29.138 1.00 63.32 H new ATOM 1417 N PHE A 90 9.951 9.178 -30.315 1.00 14.53 N ATOM 1418 CA PHE A 90 11.237 9.342 -30.981 1.00 62.34 C ATOM 1419 C PHE A 90 11.514 8.173 -31.922 1.00 63.32 C ATOM 1420 O PHE A 90 11.636 8.352 -33.133 1.00 53.32 O ATOM 1421 CB PHE A 90 12.360 9.457 -29.948 1.00 71.23 C ATOM 1422 CG PHE A 90 13.462 10.389 -30.363 1.00 24.15 C ATOM 1423 CD1 PHE A 90 13.206 11.734 -30.578 1.00 24.43 C ATOM 1424 CD2 PHE A 90 14.755 9.921 -30.536 1.00 72.31 C ATOM 1425 CE1 PHE A 90 14.219 12.593 -30.960 1.00 10.13 C ATOM 1426 CE2 PHE A 90 15.772 10.776 -30.918 1.00 33.24 C ATOM 1427 CZ PHE A 90 15.503 12.114 -31.129 1.00 24.04 C ATOM 0 H PHE A 90 10.011 9.070 -29.303 1.00 14.53 H new ATOM 0 HA PHE A 90 11.199 10.259 -31.569 1.00 62.34 H new ATOM 0 HB2 PHE A 90 11.940 9.802 -29.003 1.00 71.23 H new ATOM 0 HB3 PHE A 90 12.780 8.467 -29.768 1.00 71.23 H new ATOM 0 HD1 PHE A 90 12.204 12.115 -30.446 1.00 24.43 H new ATOM 0 HD2 PHE A 90 14.971 8.876 -30.370 1.00 72.31 H new ATOM 0 HE1 PHE A 90 14.006 13.639 -31.126 1.00 10.13 H new ATOM 0 HE2 PHE A 90 16.775 10.398 -31.051 1.00 33.24 H new ATOM 0 HZ PHE A 90 16.296 12.785 -31.426 1.00 24.04 H new ATOM 1437 N ASN A 91 11.614 6.975 -31.355 1.00 33.02 N ATOM 1438 CA ASN A 91 11.878 5.776 -32.142 1.00 32.11 C ATOM 1439 C ASN A 91 12.009 4.552 -31.241 1.00 23.21 C ATOM 1440 O ASN A 91 12.972 4.425 -30.485 1.00 74.20 O ATOM 1441 CB ASN A 91 13.153 5.954 -32.969 1.00 32.13 C ATOM 1442 CG ASN A 91 12.903 5.802 -34.457 1.00 11.43 C ATOM 1443 OD1 ASN A 91 13.149 6.723 -35.236 1.00 10.43 O ATOM 1444 ND2 ASN A 91 12.411 4.636 -34.858 1.00 40.12 N ATOM 0 H ASN A 91 11.516 6.809 -30.353 1.00 33.02 H new ATOM 0 HA ASN A 91 11.035 5.621 -32.815 1.00 32.11 H new ATOM 0 HB2 ASN A 91 13.575 6.940 -32.773 1.00 32.13 H new ATOM 0 HB3 ASN A 91 13.894 5.221 -32.651 1.00 32.13 H new ATOM 0 HD21 ASN A 91 12.222 4.475 -35.847 1.00 40.12 H new ATOM 0 HD22 ASN A 91 12.222 3.901 -34.177 1.00 40.12 H new ATOM 1451 N GLY A 92 11.034 3.652 -31.328 1.00 1.02 N ATOM 1452 CA GLY A 92 11.060 2.450 -30.516 1.00 32.53 C ATOM 1453 C GLY A 92 10.082 1.399 -31.004 1.00 41.21 C ATOM 1454 O GLY A 92 10.485 0.373 -31.551 1.00 0.01 O ATOM 0 H GLY A 92 10.227 3.734 -31.946 1.00 1.02 H new ATOM 0 HA2 GLY A 92 12.068 2.034 -30.520 1.00 32.53 H new ATOM 0 HA3 GLY A 92 10.826 2.708 -29.483 1.00 32.53 H new ATOM 1458 N ALA A 93 8.793 1.655 -30.805 1.00 61.31 N ATOM 1459 CA ALA A 93 7.755 0.723 -31.229 1.00 43.45 C ATOM 1460 C ALA A 93 7.164 1.135 -32.573 1.00 42.35 C ATOM 1461 O ALA A 93 7.449 0.521 -33.601 1.00 4.30 O ATOM 1462 CB ALA A 93 6.662 0.635 -30.175 1.00 22.12 C ATOM 0 H ALA A 93 8.443 2.500 -30.353 1.00 61.31 H new ATOM 0 HA ALA A 93 8.210 -0.260 -31.347 1.00 43.45 H new ATOM 0 HB1 ALA A 93 5.894 -0.064 -30.505 1.00 22.12 H new ATOM 0 HB2 ALA A 93 7.090 0.287 -29.235 1.00 22.12 H new ATOM 0 HB3 ALA A 93 6.218 1.619 -30.029 1.00 22.12 H new ATOM 1468 N GLU A 94 6.339 2.178 -32.558 1.00 24.35 N ATOM 1469 CA GLU A 94 5.707 2.670 -33.776 1.00 63.41 C ATOM 1470 C GLU A 94 4.855 1.582 -34.424 1.00 40.20 C ATOM 1471 O GLU A 94 4.521 1.662 -35.605 1.00 72.43 O ATOM 1472 CB GLU A 94 6.767 3.159 -34.765 1.00 44.01 C ATOM 1473 CG GLU A 94 6.408 4.470 -35.444 1.00 15.14 C ATOM 1474 CD GLU A 94 7.045 4.613 -36.812 1.00 4.22 C ATOM 1475 OE1 GLU A 94 8.246 4.953 -36.873 1.00 54.34 O ATOM 1476 OE2 GLU A 94 6.345 4.386 -37.820 1.00 62.32 O ATOM 0 H GLU A 94 6.093 2.698 -31.716 1.00 24.35 H new ATOM 0 HA GLU A 94 5.059 3.504 -33.507 1.00 63.41 H new ATOM 0 HB2 GLU A 94 7.714 3.279 -34.239 1.00 44.01 H new ATOM 0 HB3 GLU A 94 6.920 2.395 -35.527 1.00 44.01 H new ATOM 0 HG2 GLU A 94 5.325 4.539 -35.543 1.00 15.14 H new ATOM 0 HG3 GLU A 94 6.723 5.300 -34.812 1.00 15.14 H new ATOM 1483 N GLY A 95 4.507 0.566 -33.641 1.00 23.53 N ATOM 1484 CA GLY A 95 3.698 -0.524 -34.155 1.00 10.13 C ATOM 1485 C GLY A 95 3.570 -1.667 -33.167 1.00 53.23 C ATOM 1486 O GLY A 95 2.571 -2.385 -33.166 1.00 32.51 O ATOM 0 H GLY A 95 4.771 0.478 -32.660 1.00 23.53 H new ATOM 0 HA2 GLY A 95 2.705 -0.150 -34.403 1.00 10.13 H new ATOM 0 HA3 GLY A 95 4.139 -0.895 -35.080 1.00 10.13 H new ATOM 1490 N ALA A 96 4.584 -1.837 -32.326 1.00 4.51 N ATOM 1491 CA ALA A 96 4.580 -2.900 -31.329 1.00 44.11 C ATOM 1492 C ALA A 96 4.542 -2.328 -29.916 1.00 41.21 C ATOM 1493 O ALA A 96 5.402 -2.632 -29.089 1.00 41.12 O ATOM 1494 CB ALA A 96 5.799 -3.794 -31.506 1.00 2.52 C ATOM 0 H ALA A 96 5.419 -1.252 -32.315 1.00 4.51 H new ATOM 0 HA ALA A 96 3.680 -3.498 -31.475 1.00 44.11 H new ATOM 0 HB1 ALA A 96 5.783 -4.584 -30.755 1.00 2.52 H new ATOM 0 HB2 ALA A 96 5.782 -4.239 -32.501 1.00 2.52 H new ATOM 0 HB3 ALA A 96 6.706 -3.200 -31.389 1.00 2.52 H new ATOM 1500 N TYR A 97 3.541 -1.498 -29.646 1.00 52.31 N ATOM 1501 CA TYR A 97 3.393 -0.880 -28.334 1.00 35.45 C ATOM 1502 C TYR A 97 3.430 -1.932 -27.229 1.00 60.53 C ATOM 1503 O TYR A 97 3.850 -1.655 -26.106 1.00 71.03 O ATOM 1504 CB TYR A 97 2.082 -0.095 -28.261 1.00 73.41 C ATOM 1505 CG TYR A 97 0.849 -0.963 -28.383 1.00 1.52 C ATOM 1506 CD1 TYR A 97 0.379 -1.366 -29.626 1.00 64.15 C ATOM 1507 CD2 TYR A 97 0.155 -1.379 -27.254 1.00 33.14 C ATOM 1508 CE1 TYR A 97 -0.747 -2.158 -29.742 1.00 42.42 C ATOM 1509 CE2 TYR A 97 -0.972 -2.172 -27.360 1.00 24.02 C ATOM 1510 CZ TYR A 97 -1.419 -2.558 -28.606 1.00 63.22 C ATOM 1511 OH TYR A 97 -2.540 -3.348 -28.717 1.00 51.12 O ATOM 0 H TYR A 97 2.820 -1.238 -30.319 1.00 52.31 H new ATOM 0 HA TYR A 97 4.228 -0.195 -28.188 1.00 35.45 H new ATOM 0 HB2 TYR A 97 2.044 0.445 -27.315 1.00 73.41 H new ATOM 0 HB3 TYR A 97 2.071 0.652 -29.055 1.00 73.41 H new ATOM 0 HD1 TYR A 97 0.903 -1.055 -30.518 1.00 64.15 H new ATOM 0 HD2 TYR A 97 0.502 -1.078 -26.277 1.00 33.14 H new ATOM 0 HE1 TYR A 97 -1.099 -2.462 -30.717 1.00 42.42 H new ATOM 0 HE2 TYR A 97 -1.500 -2.488 -26.472 1.00 24.02 H new ATOM 0 HH TYR A 97 -2.893 -3.542 -27.824 1.00 51.12 H new ATOM 1521 N ALA A 98 2.988 -3.142 -27.558 1.00 41.12 N ATOM 1522 CA ALA A 98 2.973 -4.237 -26.597 1.00 21.33 C ATOM 1523 C ALA A 98 4.356 -4.457 -25.994 1.00 22.44 C ATOM 1524 O ALA A 98 4.483 -4.924 -24.861 1.00 61.14 O ATOM 1525 CB ALA A 98 2.474 -5.513 -27.258 1.00 64.52 C ATOM 0 H ALA A 98 2.636 -3.388 -28.483 1.00 41.12 H new ATOM 0 HA ALA A 98 2.292 -3.969 -25.789 1.00 21.33 H new ATOM 0 HB1 ALA A 98 2.468 -6.323 -26.528 1.00 64.52 H new ATOM 0 HB2 ALA A 98 1.463 -5.356 -27.634 1.00 64.52 H new ATOM 0 HB3 ALA A 98 3.133 -5.776 -28.086 1.00 64.52 H new ATOM 1531 N ASP A 99 5.390 -4.119 -26.757 1.00 33.53 N ATOM 1532 CA ASP A 99 6.764 -4.280 -26.297 1.00 44.01 C ATOM 1533 C ASP A 99 7.039 -3.396 -25.085 1.00 13.15 C ATOM 1534 O ASP A 99 7.766 -3.785 -24.172 1.00 25.51 O ATOM 1535 CB ASP A 99 7.744 -3.942 -27.422 1.00 74.03 C ATOM 1536 CG ASP A 99 7.708 -4.960 -28.546 1.00 4.45 C ATOM 1537 OD1 ASP A 99 6.719 -5.717 -28.630 1.00 14.22 O ATOM 1538 OD2 ASP A 99 8.670 -4.998 -29.341 1.00 22.32 O ATOM 0 H ASP A 99 5.302 -3.732 -27.697 1.00 33.53 H new ATOM 0 HA ASP A 99 6.903 -5.321 -26.004 1.00 44.01 H new ATOM 0 HB2 ASP A 99 7.508 -2.956 -27.821 1.00 74.03 H new ATOM 0 HB3 ASP A 99 8.754 -3.888 -27.016 1.00 74.03 H new ATOM 1543 N ALA A 100 6.452 -2.203 -25.083 1.00 72.51 N ATOM 1544 CA ALA A 100 6.632 -1.265 -23.983 1.00 2.41 C ATOM 1545 C ALA A 100 5.726 -1.616 -22.808 1.00 2.45 C ATOM 1546 O ALA A 100 6.000 -1.242 -21.667 1.00 61.04 O ATOM 1547 CB ALA A 100 6.363 0.157 -24.453 1.00 1.31 C ATOM 0 H ALA A 100 5.848 -1.864 -25.832 1.00 72.51 H new ATOM 0 HA ALA A 100 7.666 -1.335 -23.644 1.00 2.41 H new ATOM 0 HB1 ALA A 100 6.501 0.847 -23.621 1.00 1.31 H new ATOM 0 HB2 ALA A 100 7.055 0.412 -25.255 1.00 1.31 H new ATOM 0 HB3 ALA A 100 5.339 0.231 -24.820 1.00 1.31 H new ATOM 1553 N ALA A 101 4.646 -2.335 -23.093 1.00 70.03 N ATOM 1554 CA ALA A 101 3.701 -2.737 -22.059 1.00 75.34 C ATOM 1555 C ALA A 101 4.293 -3.821 -21.165 1.00 42.11 C ATOM 1556 O ALA A 101 3.956 -3.918 -19.985 1.00 72.42 O ATOM 1557 CB ALA A 101 2.403 -3.222 -22.690 1.00 3.30 C ATOM 0 H ALA A 101 4.404 -2.651 -24.032 1.00 70.03 H new ATOM 0 HA ALA A 101 3.488 -1.867 -21.438 1.00 75.34 H new ATOM 0 HB1 ALA A 101 1.706 -3.519 -21.906 1.00 3.30 H new ATOM 0 HB2 ALA A 101 1.963 -2.419 -23.281 1.00 3.30 H new ATOM 0 HB3 ALA A 101 2.609 -4.076 -23.335 1.00 3.30 H new ATOM 1563 N ARG A 102 5.177 -4.634 -21.735 1.00 3.44 N ATOM 1564 CA ARG A 102 5.815 -5.712 -20.989 1.00 2.32 C ATOM 1565 C ARG A 102 6.708 -5.154 -19.884 1.00 32.32 C ATOM 1566 O ARG A 102 6.591 -5.542 -18.721 1.00 12.23 O ATOM 1567 CB ARG A 102 6.640 -6.593 -21.929 1.00 55.22 C ATOM 1568 CG ARG A 102 6.637 -8.063 -21.544 1.00 64.22 C ATOM 1569 CD ARG A 102 7.715 -8.372 -20.517 1.00 2.43 C ATOM 1570 NE ARG A 102 8.574 -9.474 -20.939 1.00 24.40 N ATOM 1571 CZ ARG A 102 8.171 -10.739 -21.000 1.00 52.52 C ATOM 1572 NH1 ARG A 102 6.927 -11.058 -20.669 1.00 4.24 N ATOM 1573 NH2 ARG A 102 9.012 -11.686 -21.394 1.00 74.34 N ATOM 0 H ARG A 102 5.467 -4.566 -22.710 1.00 3.44 H new ATOM 0 HA ARG A 102 5.032 -6.315 -20.530 1.00 2.32 H new ATOM 0 HB2 ARG A 102 6.253 -6.491 -22.943 1.00 55.22 H new ATOM 0 HB3 ARG A 102 7.668 -6.232 -21.943 1.00 55.22 H new ATOM 0 HG2 ARG A 102 5.661 -8.333 -21.141 1.00 64.22 H new ATOM 0 HG3 ARG A 102 6.794 -8.673 -22.433 1.00 64.22 H new ATOM 0 HD2 ARG A 102 8.322 -7.482 -20.351 1.00 2.43 H new ATOM 0 HD3 ARG A 102 7.247 -8.621 -19.565 1.00 2.43 H new ATOM 0 HE ARG A 102 9.536 -9.262 -21.202 1.00 24.40 H new ATOM 0 HH11 ARG A 102 6.277 -10.332 -20.367 1.00 4.24 H new ATOM 0 HH12 ARG A 102 6.620 -12.029 -20.717 1.00 4.24 H new ATOM 0 HH21 ARG A 102 9.969 -11.444 -21.650 1.00 74.34 H new ATOM 0 HH22 ARG A 102 8.702 -12.657 -21.440 1.00 74.34 H new ATOM 1587 N THR A 103 7.601 -4.242 -20.255 1.00 61.32 N ATOM 1588 CA THR A 103 8.515 -3.633 -19.297 1.00 53.11 C ATOM 1589 C THR A 103 7.752 -2.879 -18.213 1.00 64.41 C ATOM 1590 O THR A 103 8.158 -2.865 -17.051 1.00 1.22 O ATOM 1591 CB THR A 103 9.491 -2.664 -19.990 1.00 42.20 C ATOM 1592 OG1 THR A 103 10.310 -2.012 -19.013 1.00 42.20 O ATOM 1593 CG2 THR A 103 8.735 -1.623 -20.802 1.00 5.20 C ATOM 0 H THR A 103 7.711 -3.909 -21.213 1.00 61.32 H new ATOM 0 HA THR A 103 9.083 -4.444 -18.841 1.00 53.11 H new ATOM 0 HB THR A 103 10.122 -3.241 -20.666 1.00 42.20 H new ATOM 0 HG1 THR A 103 10.828 -1.300 -19.443 1.00 42.20 H new ATOM 0 HG21 THR A 103 9.445 -0.950 -21.282 1.00 5.20 H new ATOM 0 HG22 THR A 103 8.135 -2.121 -21.564 1.00 5.20 H new ATOM 0 HG23 THR A 103 8.082 -1.051 -20.143 1.00 5.20 H new ATOM 1601 N PHE A 104 6.645 -2.255 -18.600 1.00 43.54 N ATOM 1602 CA PHE A 104 5.826 -1.498 -17.661 1.00 32.22 C ATOM 1603 C PHE A 104 5.278 -2.406 -16.563 1.00 64.14 C ATOM 1604 O PHE A 104 5.427 -2.120 -15.376 1.00 24.01 O ATOM 1605 CB PHE A 104 4.671 -0.813 -18.395 1.00 21.31 C ATOM 1606 CG PHE A 104 3.699 -0.129 -17.477 1.00 1.10 C ATOM 1607 CD1 PHE A 104 4.011 1.093 -16.903 1.00 52.21 C ATOM 1608 CD2 PHE A 104 2.474 -0.707 -17.188 1.00 74.33 C ATOM 1609 CE1 PHE A 104 3.118 1.725 -16.057 1.00 64.55 C ATOM 1610 CE2 PHE A 104 1.577 -0.080 -16.344 1.00 31.34 C ATOM 1611 CZ PHE A 104 1.900 1.138 -15.778 1.00 75.23 C ATOM 0 H PHE A 104 6.294 -2.259 -19.558 1.00 43.54 H new ATOM 0 HA PHE A 104 6.456 -0.737 -17.199 1.00 32.22 H new ATOM 0 HB2 PHE A 104 5.078 -0.080 -19.092 1.00 21.31 H new ATOM 0 HB3 PHE A 104 4.137 -1.555 -18.989 1.00 21.31 H new ATOM 0 HD1 PHE A 104 4.962 1.557 -17.119 1.00 52.21 H new ATOM 0 HD2 PHE A 104 2.217 -1.659 -17.628 1.00 74.33 H new ATOM 0 HE1 PHE A 104 3.373 2.677 -15.615 1.00 64.55 H new ATOM 0 HE2 PHE A 104 0.625 -0.542 -16.127 1.00 31.34 H new ATOM 0 HZ PHE A 104 1.201 1.630 -15.118 1.00 75.23 H new ATOM 1621 N GLU A 105 4.644 -3.501 -16.971 1.00 1.01 N ATOM 1622 CA GLU A 105 4.073 -4.450 -16.022 1.00 42.04 C ATOM 1623 C GLU A 105 5.110 -4.874 -14.986 1.00 61.34 C ATOM 1624 O GLU A 105 4.799 -5.025 -13.805 1.00 32.52 O ATOM 1625 CB GLU A 105 3.538 -5.680 -16.758 1.00 34.34 C ATOM 1626 CG GLU A 105 2.057 -5.596 -17.087 1.00 14.03 C ATOM 1627 CD GLU A 105 1.177 -5.734 -15.859 1.00 4.01 C ATOM 1628 OE1 GLU A 105 1.657 -5.427 -14.748 1.00 12.04 O ATOM 1629 OE2 GLU A 105 0.009 -6.149 -16.010 1.00 62.13 O ATOM 0 H GLU A 105 4.513 -3.753 -17.951 1.00 1.01 H new ATOM 0 HA GLU A 105 3.249 -3.958 -15.505 1.00 42.04 H new ATOM 0 HB2 GLU A 105 4.100 -5.813 -17.682 1.00 34.34 H new ATOM 0 HB3 GLU A 105 3.716 -6.565 -16.147 1.00 34.34 H new ATOM 0 HG2 GLU A 105 1.850 -4.642 -17.572 1.00 14.03 H new ATOM 0 HG3 GLU A 105 1.802 -6.379 -17.801 1.00 14.03 H new ATOM 1636 N LYS A 106 6.345 -5.066 -15.438 1.00 51.21 N ATOM 1637 CA LYS A 106 7.430 -5.472 -14.553 1.00 33.14 C ATOM 1638 C LYS A 106 7.616 -4.464 -13.423 1.00 64.20 C ATOM 1639 O LYS A 106 7.725 -4.839 -12.255 1.00 51.32 O ATOM 1640 CB LYS A 106 8.733 -5.617 -15.342 1.00 11.32 C ATOM 1641 CG LYS A 106 8.725 -6.777 -16.322 1.00 30.45 C ATOM 1642 CD LYS A 106 8.932 -8.106 -15.614 1.00 13.03 C ATOM 1643 CE LYS A 106 8.796 -9.277 -16.575 1.00 43.21 C ATOM 1644 NZ LYS A 106 7.809 -10.281 -16.090 1.00 65.24 N ATOM 0 H LYS A 106 6.619 -4.947 -16.413 1.00 51.21 H new ATOM 0 HA LYS A 106 7.168 -6.436 -14.117 1.00 33.14 H new ATOM 0 HB2 LYS A 106 8.922 -4.693 -15.888 1.00 11.32 H new ATOM 0 HB3 LYS A 106 9.559 -5.749 -14.643 1.00 11.32 H new ATOM 0 HG2 LYS A 106 7.777 -6.794 -16.860 1.00 30.45 H new ATOM 0 HG3 LYS A 106 9.510 -6.633 -17.064 1.00 30.45 H new ATOM 0 HD2 LYS A 106 9.920 -8.124 -15.154 1.00 13.03 H new ATOM 0 HD3 LYS A 106 8.204 -8.208 -14.809 1.00 13.03 H new ATOM 0 HE2 LYS A 106 8.489 -8.909 -17.554 1.00 43.21 H new ATOM 0 HE3 LYS A 106 9.767 -9.755 -16.704 1.00 43.21 H new ATOM 0 HZ1 LYS A 106 7.745 -11.063 -16.773 1.00 65.24 H new ATOM 0 HZ2 LYS A 106 8.115 -10.651 -15.167 1.00 65.24 H new ATOM 0 HZ3 LYS A 106 6.877 -9.831 -15.991 1.00 65.24 H new ATOM 1658 N PHE A 107 7.652 -3.184 -13.778 1.00 74.11 N ATOM 1659 CA PHE A 107 7.825 -2.122 -12.794 1.00 35.23 C ATOM 1660 C PHE A 107 6.811 -2.260 -11.661 1.00 65.31 C ATOM 1661 O PHE A 107 7.171 -2.224 -10.485 1.00 30.13 O ATOM 1662 CB PHE A 107 7.679 -0.752 -13.459 1.00 73.13 C ATOM 1663 CG PHE A 107 8.982 -0.173 -13.931 1.00 11.14 C ATOM 1664 CD1 PHE A 107 9.764 0.591 -13.079 1.00 61.33 C ATOM 1665 CD2 PHE A 107 9.425 -0.392 -15.225 1.00 55.33 C ATOM 1666 CE1 PHE A 107 10.964 1.125 -13.510 1.00 21.13 C ATOM 1667 CE2 PHE A 107 10.624 0.140 -15.661 1.00 73.51 C ATOM 1668 CZ PHE A 107 11.394 0.900 -14.803 1.00 32.33 C ATOM 0 H PHE A 107 7.564 -2.857 -14.740 1.00 74.11 H new ATOM 0 HA PHE A 107 8.827 -2.210 -12.375 1.00 35.23 H new ATOM 0 HB2 PHE A 107 7.001 -0.839 -14.308 1.00 73.13 H new ATOM 0 HB3 PHE A 107 7.218 -0.061 -12.753 1.00 73.13 H new ATOM 0 HD1 PHE A 107 9.432 0.771 -12.067 1.00 61.33 H new ATOM 0 HD2 PHE A 107 8.827 -0.985 -15.901 1.00 55.33 H new ATOM 0 HE1 PHE A 107 11.565 1.718 -12.836 1.00 21.13 H new ATOM 0 HE2 PHE A 107 10.958 -0.039 -16.672 1.00 73.51 H new ATOM 0 HZ PHE A 107 12.330 1.318 -15.142 1.00 32.33 H new ATOM 1678 N ALA A 108 5.543 -2.418 -12.026 1.00 22.04 N ATOM 1679 CA ALA A 108 4.478 -2.563 -11.041 1.00 51.04 C ATOM 1680 C ALA A 108 4.725 -3.767 -10.138 1.00 51.43 C ATOM 1681 O ALA A 108 4.653 -3.661 -8.914 1.00 72.03 O ATOM 1682 CB ALA A 108 3.131 -2.690 -11.737 1.00 34.12 C ATOM 0 H ALA A 108 5.228 -2.449 -12.996 1.00 22.04 H new ATOM 0 HA ALA A 108 4.470 -1.670 -10.416 1.00 51.04 H new ATOM 0 HB1 ALA A 108 2.344 -2.798 -10.990 1.00 34.12 H new ATOM 0 HB2 ALA A 108 2.945 -1.798 -12.334 1.00 34.12 H new ATOM 0 HB3 ALA A 108 3.138 -3.566 -12.386 1.00 34.12 H new ATOM 1688 N MET A 109 5.016 -4.910 -10.750 1.00 55.02 N ATOM 1689 CA MET A 109 5.274 -6.134 -10.000 1.00 55.32 C ATOM 1690 C MET A 109 6.457 -5.953 -9.055 1.00 41.31 C ATOM 1691 O MET A 109 6.413 -6.378 -7.901 1.00 42.34 O ATOM 1692 CB MET A 109 5.543 -7.297 -10.957 1.00 41.51 C ATOM 1693 CG MET A 109 5.673 -8.641 -10.259 1.00 14.41 C ATOM 1694 SD MET A 109 4.076 -9.416 -9.944 1.00 73.52 S ATOM 1695 CE MET A 109 4.499 -10.534 -8.610 1.00 43.01 C ATOM 0 H MET A 109 5.079 -5.014 -11.763 1.00 55.02 H new ATOM 0 HA MET A 109 4.389 -6.360 -9.406 1.00 55.32 H new ATOM 0 HB2 MET A 109 4.734 -7.352 -11.685 1.00 41.51 H new ATOM 0 HB3 MET A 109 6.459 -7.095 -11.512 1.00 41.51 H new ATOM 0 HG2 MET A 109 6.281 -9.307 -10.871 1.00 14.41 H new ATOM 0 HG3 MET A 109 6.200 -8.506 -9.314 1.00 14.41 H new ATOM 0 HE1 MET A 109 3.611 -11.087 -8.304 1.00 43.01 H new ATOM 0 HE2 MET A 109 5.263 -11.233 -8.950 1.00 43.01 H new ATOM 0 HE3 MET A 109 4.880 -9.963 -7.764 1.00 43.01 H new ATOM 1705 N GLY A 110 7.515 -5.319 -9.553 1.00 31.13 N ATOM 1706 CA GLY A 110 8.695 -5.094 -8.739 1.00 43.10 C ATOM 1707 C GLY A 110 8.395 -4.282 -7.495 1.00 4.32 C ATOM 1708 O GLY A 110 8.828 -4.631 -6.396 1.00 63.14 O ATOM 0 H GLY A 110 7.575 -4.958 -10.505 1.00 31.13 H new ATOM 0 HA2 GLY A 110 9.121 -6.054 -8.448 1.00 43.10 H new ATOM 0 HA3 GLY A 110 9.449 -4.578 -9.333 1.00 43.10 H new ATOM 1712 N LYS A 111 7.653 -3.193 -7.666 1.00 5.24 N ATOM 1713 CA LYS A 111 7.296 -2.327 -6.548 1.00 72.03 C ATOM 1714 C LYS A 111 6.682 -3.135 -5.409 1.00 51.41 C ATOM 1715 O LYS A 111 7.056 -2.969 -4.247 1.00 75.55 O ATOM 1716 CB LYS A 111 6.315 -1.246 -7.008 1.00 12.04 C ATOM 1717 CG LYS A 111 6.237 -0.056 -6.067 1.00 45.44 C ATOM 1718 CD LYS A 111 4.798 0.334 -5.779 1.00 15.51 C ATOM 1719 CE LYS A 111 4.625 0.806 -4.343 1.00 73.21 C ATOM 1720 NZ LYS A 111 3.945 -0.218 -3.501 1.00 42.43 N ATOM 0 H LYS A 111 7.287 -2.889 -8.568 1.00 5.24 H new ATOM 0 HA LYS A 111 8.206 -1.852 -6.183 1.00 72.03 H new ATOM 0 HB2 LYS A 111 6.609 -0.897 -7.998 1.00 12.04 H new ATOM 0 HB3 LYS A 111 5.323 -1.686 -7.107 1.00 12.04 H new ATOM 0 HG2 LYS A 111 6.744 -0.296 -5.132 1.00 45.44 H new ATOM 0 HG3 LYS A 111 6.764 0.791 -6.506 1.00 45.44 H new ATOM 0 HD2 LYS A 111 4.491 1.125 -6.463 1.00 15.51 H new ATOM 0 HD3 LYS A 111 4.145 -0.519 -5.964 1.00 15.51 H new ATOM 0 HE2 LYS A 111 5.601 1.037 -3.916 1.00 73.21 H new ATOM 0 HE3 LYS A 111 4.045 1.729 -4.331 1.00 73.21 H new ATOM 0 HZ1 LYS A 111 3.846 0.141 -2.530 1.00 42.43 H new ATOM 0 HZ2 LYS A 111 3.003 -0.420 -3.893 1.00 42.43 H new ATOM 0 HZ3 LYS A 111 4.511 -1.091 -3.491 1.00 42.43 H new ATOM 1734 N ILE A 112 5.740 -4.008 -5.750 1.00 1.14 N ATOM 1735 CA ILE A 112 5.077 -4.842 -4.755 1.00 63.31 C ATOM 1736 C ILE A 112 6.092 -5.635 -3.938 1.00 60.13 C ATOM 1737 O ILE A 112 6.007 -5.693 -2.711 1.00 64.05 O ATOM 1738 CB ILE A 112 4.086 -5.821 -5.412 1.00 25.40 C ATOM 1739 CG1 ILE A 112 3.050 -5.056 -6.236 1.00 54.52 C ATOM 1740 CG2 ILE A 112 3.404 -6.674 -4.353 1.00 62.50 C ATOM 1741 CD1 ILE A 112 2.079 -5.953 -6.971 1.00 33.32 C ATOM 0 H ILE A 112 5.419 -4.156 -6.707 1.00 1.14 H new ATOM 0 HA ILE A 112 4.528 -4.170 -4.095 1.00 63.31 H new ATOM 0 HB ILE A 112 4.639 -6.480 -6.081 1.00 25.40 H new ATOM 0 HG12 ILE A 112 2.491 -4.393 -5.576 1.00 54.52 H new ATOM 0 HG13 ILE A 112 3.567 -4.425 -6.959 1.00 54.52 H new ATOM 0 HG21 ILE A 112 2.707 -7.361 -4.833 1.00 62.50 H new ATOM 0 HG22 ILE A 112 4.155 -7.243 -3.805 1.00 62.50 H new ATOM 0 HG23 ILE A 112 2.861 -6.030 -3.661 1.00 62.50 H new ATOM 0 HD11 ILE A 112 1.374 -5.342 -7.534 1.00 33.32 H new ATOM 0 HD12 ILE A 112 2.628 -6.599 -7.657 1.00 33.32 H new ATOM 0 HD13 ILE A 112 1.535 -6.566 -6.253 1.00 33.32 H new ATOM 1753 N ASP A 113 7.052 -6.243 -4.627 1.00 11.03 N ATOM 1754 CA ASP A 113 8.086 -7.030 -3.965 1.00 72.42 C ATOM 1755 C ASP A 113 8.824 -6.194 -2.925 1.00 41.31 C ATOM 1756 O ASP A 113 8.996 -6.617 -1.782 1.00 43.34 O ATOM 1757 CB ASP A 113 9.076 -7.578 -4.994 1.00 3.10 C ATOM 1758 CG ASP A 113 8.470 -8.663 -5.861 1.00 75.24 C ATOM 1759 OD1 ASP A 113 7.413 -9.209 -5.478 1.00 3.41 O ATOM 1760 OD2 ASP A 113 9.050 -8.967 -6.924 1.00 43.53 O ATOM 0 H ASP A 113 7.135 -6.206 -5.643 1.00 11.03 H new ATOM 0 HA ASP A 113 7.603 -7.864 -3.456 1.00 72.42 H new ATOM 0 HB2 ASP A 113 9.425 -6.763 -5.628 1.00 3.10 H new ATOM 0 HB3 ASP A 113 9.949 -7.976 -4.477 1.00 3.10 H new ATOM 1765 N ALA A 114 9.259 -5.005 -3.330 1.00 11.23 N ATOM 1766 CA ALA A 114 9.978 -4.108 -2.433 1.00 33.53 C ATOM 1767 C ALA A 114 9.177 -3.846 -1.162 1.00 2.42 C ATOM 1768 O ALA A 114 9.718 -3.887 -0.056 1.00 73.03 O ATOM 1769 CB ALA A 114 10.296 -2.799 -3.139 1.00 11.22 C ATOM 0 H ALA A 114 9.126 -4.641 -4.273 1.00 11.23 H new ATOM 0 HA ALA A 114 10.913 -4.590 -2.149 1.00 33.53 H new ATOM 0 HB1 ALA A 114 10.833 -2.139 -2.457 1.00 11.22 H new ATOM 0 HB2 ALA A 114 10.915 -2.998 -4.014 1.00 11.22 H new ATOM 0 HB3 ALA A 114 9.368 -2.320 -3.452 1.00 11.22 H new ATOM 1775 N TYR A 115 7.887 -3.574 -1.326 1.00 63.53 N ATOM 1776 CA TYR A 115 7.013 -3.301 -0.192 1.00 31.52 C ATOM 1777 C TYR A 115 7.128 -4.399 0.861 1.00 20.33 C ATOM 1778 O TYR A 115 7.203 -4.121 2.058 1.00 12.24 O ATOM 1779 CB TYR A 115 5.561 -3.177 -0.658 1.00 45.22 C ATOM 1780 CG TYR A 115 4.561 -3.150 0.476 1.00 44.14 C ATOM 1781 CD1 TYR A 115 4.809 -2.416 1.629 1.00 2.20 C ATOM 1782 CD2 TYR A 115 3.370 -3.859 0.394 1.00 75.10 C ATOM 1783 CE1 TYR A 115 3.899 -2.389 2.668 1.00 52.32 C ATOM 1784 CE2 TYR A 115 2.453 -3.837 1.427 1.00 12.41 C ATOM 1785 CZ TYR A 115 2.722 -3.100 2.562 1.00 60.31 C ATOM 1786 OH TYR A 115 1.812 -3.076 3.594 1.00 70.52 O ATOM 0 H TYR A 115 7.424 -3.537 -2.234 1.00 63.53 H new ATOM 0 HA TYR A 115 7.326 -2.358 0.256 1.00 31.52 H new ATOM 0 HB2 TYR A 115 5.454 -2.266 -1.247 1.00 45.22 H new ATOM 0 HB3 TYR A 115 5.327 -4.013 -1.317 1.00 45.22 H new ATOM 0 HD1 TYR A 115 5.729 -1.857 1.715 1.00 2.20 H new ATOM 0 HD2 TYR A 115 3.157 -4.438 -0.493 1.00 75.10 H new ATOM 0 HE1 TYR A 115 4.108 -1.814 3.558 1.00 52.32 H new ATOM 0 HE2 TYR A 115 1.531 -4.393 1.347 1.00 12.41 H new ATOM 0 HH TYR A 115 1.037 -3.628 3.360 1.00 70.52 H new ATOM 1796 N ILE A 116 7.142 -5.647 0.406 1.00 22.50 N ATOM 1797 CA ILE A 116 7.250 -6.788 1.308 1.00 40.24 C ATOM 1798 C ILE A 116 8.583 -6.778 2.049 1.00 35.20 C ATOM 1799 O ILE A 116 8.656 -7.153 3.219 1.00 0.44 O ATOM 1800 CB ILE A 116 7.107 -8.121 0.549 1.00 11.52 C ATOM 1801 CG1 ILE A 116 5.820 -8.126 -0.278 1.00 33.11 C ATOM 1802 CG2 ILE A 116 7.122 -9.289 1.524 1.00 52.33 C ATOM 1803 CD1 ILE A 116 5.661 -9.358 -1.141 1.00 65.12 C ATOM 0 H ILE A 116 7.080 -5.894 -0.582 1.00 22.50 H new ATOM 0 HA ILE A 116 6.436 -6.700 2.028 1.00 40.24 H new ATOM 0 HB ILE A 116 7.953 -8.229 -0.130 1.00 11.52 H new ATOM 0 HG12 ILE A 116 4.965 -8.051 0.394 1.00 33.11 H new ATOM 0 HG13 ILE A 116 5.804 -7.242 -0.915 1.00 33.11 H new ATOM 0 HG21 ILE A 116 7.020 -10.224 0.973 1.00 52.33 H new ATOM 0 HG22 ILE A 116 8.063 -9.292 2.073 1.00 52.33 H new ATOM 0 HG23 ILE A 116 6.293 -9.189 2.225 1.00 52.33 H new ATOM 0 HD11 ILE A 116 4.727 -9.293 -1.699 1.00 65.12 H new ATOM 0 HD12 ILE A 116 6.496 -9.424 -1.838 1.00 65.12 H new ATOM 0 HD13 ILE A 116 5.645 -10.246 -0.509 1.00 65.12 H new ATOM 1815 N SER A 117 9.634 -6.346 1.360 1.00 12.11 N ATOM 1816 CA SER A 117 10.965 -6.289 1.952 1.00 0.05 C ATOM 1817 C SER A 117 11.060 -5.153 2.966 1.00 4.22 C ATOM 1818 O SER A 117 11.713 -5.284 4.001 1.00 21.32 O ATOM 1819 CB SER A 117 12.024 -6.106 0.863 1.00 14.12 C ATOM 1820 OG SER A 117 12.343 -7.343 0.250 1.00 45.20 O ATOM 0 H SER A 117 9.590 -6.030 0.391 1.00 12.11 H new ATOM 0 HA SER A 117 11.146 -7.231 2.469 1.00 0.05 H new ATOM 0 HB2 SER A 117 11.659 -5.407 0.110 1.00 14.12 H new ATOM 0 HB3 SER A 117 12.924 -5.668 1.296 1.00 14.12 H new ATOM 0 HG SER A 117 13.020 -7.199 -0.443 1.00 45.20 H new ATOM 1826 N GLN A 118 10.405 -4.038 2.660 1.00 73.13 N ATOM 1827 CA GLN A 118 10.416 -2.878 3.543 1.00 31.23 C ATOM 1828 C GLN A 118 9.007 -2.547 4.024 1.00 1.33 C ATOM 1829 O GLN A 118 8.414 -1.553 3.604 1.00 12.03 O ATOM 1830 CB GLN A 118 11.020 -1.670 2.826 1.00 43.01 C ATOM 1831 CG GLN A 118 10.383 -1.382 1.476 1.00 34.13 C ATOM 1832 CD GLN A 118 11.355 -1.543 0.325 1.00 65.21 C ATOM 1833 OE1 GLN A 118 11.415 -0.705 -0.575 1.00 12.41 O ATOM 1834 NE2 GLN A 118 12.125 -2.625 0.347 1.00 44.10 N ATOM 0 H GLN A 118 9.860 -3.913 1.807 1.00 73.13 H new ATOM 0 HA GLN A 118 11.029 -3.120 4.411 1.00 31.23 H new ATOM 0 HB2 GLN A 118 10.916 -0.791 3.462 1.00 43.01 H new ATOM 0 HB3 GLN A 118 12.088 -1.838 2.686 1.00 43.01 H new ATOM 0 HG2 GLN A 118 9.536 -2.052 1.328 1.00 34.13 H new ATOM 0 HG3 GLN A 118 9.989 -0.366 1.474 1.00 34.13 H new ATOM 0 HE21 GLN A 118 12.042 -3.294 1.112 1.00 44.10 H new ATOM 0 HE22 GLN A 118 12.799 -2.787 -0.401 1.00 44.10 H new ATOM 1843 N LYS A 119 8.476 -3.385 4.907 1.00 22.45 N ATOM 1844 CA LYS A 119 7.137 -3.182 5.447 1.00 21.13 C ATOM 1845 C LYS A 119 7.187 -2.948 6.954 1.00 65.12 C ATOM 1846 O LYS A 119 6.266 -2.374 7.534 1.00 32.42 O ATOM 1847 CB LYS A 119 6.251 -4.391 5.138 1.00 50.25 C ATOM 1848 CG LYS A 119 4.888 -4.333 5.805 1.00 11.31 C ATOM 1849 CD LYS A 119 3.839 -5.079 4.997 1.00 1.53 C ATOM 1850 CE LYS A 119 3.728 -6.531 5.434 1.00 22.20 C ATOM 1851 NZ LYS A 119 2.340 -7.050 5.286 1.00 24.43 N ATOM 0 H LYS A 119 8.953 -4.213 5.265 1.00 22.45 H new ATOM 0 HA LYS A 119 6.712 -2.297 4.973 1.00 21.13 H new ATOM 0 HB2 LYS A 119 6.115 -4.465 4.059 1.00 50.25 H new ATOM 0 HB3 LYS A 119 6.764 -5.298 5.458 1.00 50.25 H new ATOM 0 HG2 LYS A 119 4.952 -4.763 6.804 1.00 11.31 H new ATOM 0 HG3 LYS A 119 4.585 -3.293 5.925 1.00 11.31 H new ATOM 0 HD2 LYS A 119 2.873 -4.588 5.112 1.00 1.53 H new ATOM 0 HD3 LYS A 119 4.095 -5.035 3.938 1.00 1.53 H new ATOM 0 HE2 LYS A 119 4.409 -7.142 4.841 1.00 22.20 H new ATOM 0 HE3 LYS A 119 4.041 -6.622 6.474 1.00 22.20 H new ATOM 0 HZ1 LYS A 119 2.306 -8.043 5.594 1.00 24.43 H new ATOM 0 HZ2 LYS A 119 1.693 -6.483 5.871 1.00 24.43 H new ATOM 0 HZ3 LYS A 119 2.050 -6.987 4.289 1.00 24.43 H new ATOM 1865 N VAL A 120 8.271 -3.395 7.582 1.00 54.14 N ATOM 1866 CA VAL A 120 8.442 -3.232 9.020 1.00 3.32 C ATOM 1867 C VAL A 120 8.612 -1.763 9.390 1.00 15.54 C ATOM 1868 O VAL A 120 8.088 -1.303 10.404 1.00 10.42 O ATOM 1869 CB VAL A 120 9.660 -4.023 9.533 1.00 2.35 C ATOM 1870 CG1 VAL A 120 10.064 -3.542 10.919 1.00 34.52 C ATOM 1871 CG2 VAL A 120 9.361 -5.514 9.543 1.00 33.13 C ATOM 0 H VAL A 120 9.043 -3.872 7.117 1.00 54.14 H new ATOM 0 HA VAL A 120 7.540 -3.621 9.492 1.00 3.32 H new ATOM 0 HB VAL A 120 10.496 -3.848 8.856 1.00 2.35 H new ATOM 0 HG11 VAL A 120 10.926 -4.112 11.265 1.00 34.52 H new ATOM 0 HG12 VAL A 120 10.322 -2.484 10.876 1.00 34.52 H new ATOM 0 HG13 VAL A 120 9.233 -3.685 11.610 1.00 34.52 H new ATOM 0 HG21 VAL A 120 10.232 -6.057 9.908 1.00 33.13 H new ATOM 0 HG22 VAL A 120 8.511 -5.710 10.196 1.00 33.13 H new ATOM 0 HG23 VAL A 120 9.125 -5.845 8.531 1.00 33.13 H new ATOM 1881 N GLY A 121 9.347 -1.029 8.560 1.00 61.50 N ATOM 1882 CA GLY A 121 9.572 0.381 8.817 1.00 63.02 C ATOM 1883 C GLY A 121 10.170 1.099 7.623 1.00 13.42 C ATOM 1884 O GLY A 121 11.315 1.547 7.668 1.00 31.24 O ATOM 0 H GLY A 121 9.791 -1.386 7.714 1.00 61.50 H new ATOM 0 HA2 GLY A 121 8.627 0.854 9.086 1.00 63.02 H new ATOM 0 HA3 GLY A 121 10.238 0.490 9.673 1.00 63.02 H new ATOM 1888 N GLY A 122 9.392 1.209 6.550 1.00 2.11 N ATOM 1889 CA GLY A 122 9.869 1.877 5.354 1.00 43.54 C ATOM 1890 C GLY A 122 8.739 2.305 4.439 1.00 51.24 C ATOM 1891 O GLY A 122 8.790 3.379 3.837 1.00 74.33 O ATOM 0 H GLY A 122 8.440 0.847 6.488 1.00 2.11 H new ATOM 0 HA2 GLY A 122 10.453 2.752 5.639 1.00 43.54 H new ATOM 0 HA3 GLY A 122 10.539 1.210 4.811 1.00 43.54 H new ATOM 1895 N LEU A 123 7.716 1.464 4.331 1.00 24.13 N ATOM 1896 CA LEU A 123 6.568 1.760 3.481 1.00 23.32 C ATOM 1897 C LEU A 123 5.262 1.444 4.202 1.00 55.21 C ATOM 1898 O LEU A 123 4.328 2.246 4.194 1.00 45.33 O ATOM 1899 CB LEU A 123 6.653 0.959 2.180 1.00 14.53 C ATOM 1900 CG LEU A 123 7.342 1.657 1.007 1.00 71.31 C ATOM 1901 CD1 LEU A 123 6.623 2.951 0.658 1.00 60.42 C ATOM 1902 CD2 LEU A 123 8.804 1.927 1.332 1.00 53.55 C ATOM 0 H LEU A 123 7.658 0.572 4.822 1.00 24.13 H new ATOM 0 HA LEU A 123 6.584 2.824 3.247 1.00 23.32 H new ATOM 0 HB2 LEU A 123 7.181 0.028 2.384 1.00 14.53 H new ATOM 0 HB3 LEU A 123 5.641 0.691 1.875 1.00 14.53 H new ATOM 0 HG LEU A 123 7.299 0.997 0.140 1.00 71.31 H new ATOM 0 HD11 LEU A 123 7.128 3.433 -0.179 1.00 60.42 H new ATOM 0 HD12 LEU A 123 5.592 2.731 0.382 1.00 60.42 H new ATOM 0 HD13 LEU A 123 6.633 3.617 1.521 1.00 60.42 H new ATOM 0 HD21 LEU A 123 9.279 2.424 0.486 1.00 53.55 H new ATOM 0 HD22 LEU A 123 8.869 2.567 2.212 1.00 53.55 H new ATOM 0 HD23 LEU A 123 9.313 0.984 1.531 1.00 53.55 H new ATOM 1914 N GLU A 124 5.204 0.272 4.826 1.00 72.32 N ATOM 1915 CA GLU A 124 4.011 -0.148 5.553 1.00 64.25 C ATOM 1916 C GLU A 124 2.768 -0.025 4.676 1.00 44.01 C ATOM 1917 O GLU A 124 2.867 0.198 3.470 1.00 64.22 O ATOM 1918 CB GLU A 124 3.839 0.689 6.821 1.00 0.44 C ATOM 1919 CG GLU A 124 2.765 0.162 7.758 1.00 61.21 C ATOM 1920 CD GLU A 124 3.115 0.364 9.219 1.00 13.24 C ATOM 1921 OE1 GLU A 124 3.979 1.217 9.511 1.00 61.13 O ATOM 1922 OE2 GLU A 124 2.523 -0.331 10.072 1.00 11.40 O ATOM 0 H GLU A 124 5.968 -0.403 4.843 1.00 72.32 H new ATOM 0 HA GLU A 124 4.136 -1.194 5.831 1.00 64.25 H new ATOM 0 HB2 GLU A 124 4.789 0.724 7.354 1.00 0.44 H new ATOM 0 HB3 GLU A 124 3.593 1.713 6.540 1.00 0.44 H new ATOM 0 HG2 GLU A 124 1.822 0.663 7.542 1.00 61.21 H new ATOM 0 HG3 GLU A 124 2.612 -0.900 7.568 1.00 61.21 H new TER 1929 GLU A 124