USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 17 SER OG : rot 170:sc= -0.0437 USER MOD Set 1.2: A 37 CYS SG : rot 87:sc= 0.699 USER MOD Set 1.3: A 41 MET CE :methyl -173:sc= -0.376 (180deg=-0.674) USER MOD Set 1.4: A 75 TYR OH : rot 165:sc= -0.18 USER MOD Set 1.5: A 79 MET CE :methyl -172:sc= -0.819 (180deg=-1.02) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 169:sc= 0.51 (180deg=-0.468) USER MOD Set 2.2: A 16 GLN : amide:sc= 0.28 K(o=0.79,f=-1.9) USER MOD Single : A 7 THR OG1 : rot -167:sc= -0.27! USER MOD Single : A 10 GLN : amide:sc= 0.49 K(o=0.49,f=-0.44) USER MOD Single : A 11 MET CE :methyl -169:sc= 0 (180deg=-0.184) USER MOD Single : A 12 GLN : amide:sc= 0.816 K(o=0.82,f=-0.29) USER MOD Single : A 24 ASN : amide:sc= 1.5 K(o=1.5,f=-2.1) USER MOD Single : A 25 HIS : no HD1:sc= -0.0067 X(o=-0.0067,f=-0.0067) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 1.34 (180deg=-0.147) USER MOD Single : A 36 SER OG : rot 169:sc= 2.24 USER MOD Single : A 39 SER OG : rot -91:sc= 0.895 USER MOD Single : A 40 SER OG : rot -139:sc= 0.274 USER MOD Single : A 49 THR OG1 : rot 45:sc= 0.292 USER MOD Single : A 55 GLN : amide:sc= 1.12 K(o=1.1,f=-0.091) USER MOD Single : A 56 TYR OH : rot 88:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0.0881 USER MOD Single : A 61 ASN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -141:sc= 0.317 USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 1.75 (180deg=-1.06!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.351 USER MOD Single : A 74 ASN : amide:sc= -0.671 K(o=-0.67,f=-3.6!) USER MOD Single : A 77 GLN : amide:sc= -0.948 K(o=-0.95,f=0) USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= 1.42 (180deg=-1.03!) USER MOD Single : A 82 LYS NZ :NH3+ 140:sc= -1.02 (180deg=-2.81!) USER MOD Single : A 83 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.018) USER MOD Single : A 93 ASN : amide:sc= 1.1 K(o=1.1,f=-0.15) USER MOD Single : A 97 SER OG : rot 65:sc= 1.19 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 2.09 (180deg=2.09) USER MOD Single : A 105 SER OG : rot 17:sc= 0.351 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 111 MET CE :methyl 148:sc= -3.08! (180deg=-3.58) USER MOD Single : A 112 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.24) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= -2.76! (180deg=-3.67!) USER MOD Single : A 116 MET CE :methyl 161:sc= -0.0938 (180deg=-0.501) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.757! X(o=-0.76!,f=-0.76) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 156:sc= 2.43 (180deg=1.67) USER MOD Single : A 127 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.8!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot -170:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -13.082 7.508 13.115 1.00 31.53 N ATOM 41 CA GLY A 5 -12.096 8.485 13.552 1.00 35.22 C ATOM 42 C GLY A 5 -11.012 8.690 12.516 1.00 61.45 C ATOM 43 O GLY A 5 -9.876 8.242 12.691 1.00 22.13 O ATOM 0 HA2 GLY A 5 -12.590 9.435 13.754 1.00 35.22 H new ATOM 0 HA3 GLY A 5 -11.646 8.154 14.488 1.00 35.22 H new ATOM 47 N VAL A 6 -11.383 9.278 11.415 1.00 54.32 N ATOM 48 CA VAL A 6 -10.469 9.568 10.349 1.00 43.33 C ATOM 49 C VAL A 6 -10.274 11.085 10.238 1.00 13.23 C ATOM 50 O VAL A 6 -11.063 11.863 10.764 1.00 33.22 O ATOM 51 CB VAL A 6 -10.968 8.961 9.006 1.00 52.40 C ATOM 52 CG1 VAL A 6 -12.222 9.642 8.504 1.00 0.41 C ATOM 53 CG2 VAL A 6 -9.878 8.918 7.938 1.00 3.43 C ATOM 0 H VAL A 6 -12.342 9.573 11.231 1.00 54.32 H new ATOM 0 HA VAL A 6 -9.506 9.108 10.572 1.00 43.33 H new ATOM 0 HB VAL A 6 -11.230 7.925 9.221 1.00 52.40 H new ATOM 0 HG11 VAL A 6 -12.533 9.185 7.565 1.00 0.41 H new ATOM 0 HG12 VAL A 6 -13.017 9.531 9.242 1.00 0.41 H new ATOM 0 HG13 VAL A 6 -12.021 10.701 8.343 1.00 0.41 H new ATOM 0 HG21 VAL A 6 -10.282 8.485 7.023 1.00 3.43 H new ATOM 0 HG22 VAL A 6 -9.526 9.930 7.736 1.00 3.43 H new ATOM 0 HG23 VAL A 6 -9.046 8.308 8.291 1.00 3.43 H new ATOM 63 N THR A 7 -9.243 11.470 9.571 1.00 71.53 N ATOM 64 CA THR A 7 -8.907 12.840 9.352 1.00 13.50 C ATOM 65 C THR A 7 -9.682 13.427 8.155 1.00 55.44 C ATOM 66 O THR A 7 -9.998 12.718 7.162 1.00 25.13 O ATOM 67 CB THR A 7 -7.348 13.006 9.181 1.00 35.23 C ATOM 68 OG1 THR A 7 -7.021 14.038 8.267 1.00 2.22 O ATOM 69 CG2 THR A 7 -6.668 11.688 8.801 1.00 25.25 C ATOM 0 H THR A 7 -8.584 10.818 9.146 1.00 71.53 H new ATOM 0 HA THR A 7 -9.208 13.410 10.231 1.00 13.50 H new ATOM 0 HB THR A 7 -6.959 13.301 10.155 1.00 35.23 H new ATOM 0 HG1 THR A 7 -6.073 13.973 8.026 1.00 2.22 H new ATOM 0 HG21 THR A 7 -5.595 11.850 8.694 1.00 25.25 H new ATOM 0 HG22 THR A 7 -6.847 10.948 9.581 1.00 25.25 H new ATOM 0 HG23 THR A 7 -7.077 11.327 7.857 1.00 25.25 H new ATOM 77 N ALA A 8 -9.988 14.723 8.250 1.00 13.21 N ATOM 78 CA ALA A 8 -10.693 15.456 7.201 1.00 54.11 C ATOM 79 C ALA A 8 -9.832 15.534 5.948 1.00 54.24 C ATOM 80 O ALA A 8 -10.334 15.701 4.845 1.00 62.24 O ATOM 81 CB ALA A 8 -11.062 16.851 7.686 1.00 5.42 C ATOM 0 H ALA A 8 -9.752 15.294 9.061 1.00 13.21 H new ATOM 0 HA ALA A 8 -11.613 14.924 6.957 1.00 54.11 H new ATOM 0 HB1 ALA A 8 -11.587 17.385 6.894 1.00 5.42 H new ATOM 0 HB2 ALA A 8 -11.708 16.773 8.560 1.00 5.42 H new ATOM 0 HB3 ALA A 8 -10.156 17.395 7.952 1.00 5.42 H new ATOM 87 N GLU A 9 -8.534 15.381 6.144 1.00 15.40 N ATOM 88 CA GLU A 9 -7.580 15.335 5.069 1.00 0.20 C ATOM 89 C GLU A 9 -7.806 14.063 4.268 1.00 34.40 C ATOM 90 O GLU A 9 -7.892 14.076 3.025 1.00 31.43 O ATOM 91 CB GLU A 9 -6.143 15.463 5.665 1.00 22.52 C ATOM 92 CG GLU A 9 -5.050 14.527 5.124 1.00 72.52 C ATOM 93 CD GLU A 9 -4.995 13.236 5.926 1.00 22.32 C ATOM 94 OE1 GLU A 9 -4.715 13.324 7.132 1.00 52.31 O ATOM 95 OE2 GLU A 9 -5.320 12.149 5.395 1.00 41.15 O ATOM 0 H GLU A 9 -8.116 15.285 7.069 1.00 15.40 H new ATOM 0 HA GLU A 9 -7.705 16.167 4.376 1.00 0.20 H new ATOM 0 HB2 GLU A 9 -5.809 16.489 5.513 1.00 22.52 H new ATOM 0 HB3 GLU A 9 -6.213 15.307 6.741 1.00 22.52 H new ATOM 0 HG2 GLU A 9 -5.246 14.301 4.076 1.00 72.52 H new ATOM 0 HG3 GLU A 9 -4.083 15.028 5.167 1.00 72.52 H new ATOM 102 N GLN A 10 -8.043 12.977 4.981 1.00 74.21 N ATOM 103 CA GLN A 10 -8.231 11.739 4.317 1.00 21.34 C ATOM 104 C GLN A 10 -9.513 11.755 3.639 1.00 33.34 C ATOM 105 O GLN A 10 -9.649 11.171 2.611 1.00 61.32 O ATOM 106 CB GLN A 10 -8.213 10.564 5.208 1.00 73.04 C ATOM 107 CG GLN A 10 -7.731 9.356 4.473 1.00 33.20 C ATOM 108 CD GLN A 10 -6.563 8.658 5.154 1.00 40.31 C ATOM 109 OE1 GLN A 10 -6.447 7.438 5.097 1.00 64.01 O ATOM 110 NE2 GLN A 10 -5.638 9.423 5.698 1.00 43.31 N ATOM 0 H GLN A 10 -8.106 12.944 5.999 1.00 74.21 H new ATOM 0 HA GLN A 10 -7.391 11.639 3.629 1.00 21.34 H new ATOM 0 HB2 GLN A 10 -7.566 10.759 6.063 1.00 73.04 H new ATOM 0 HB3 GLN A 10 -9.214 10.383 5.600 1.00 73.04 H new ATOM 0 HG2 GLN A 10 -8.555 8.650 4.369 1.00 33.20 H new ATOM 0 HG3 GLN A 10 -7.433 9.648 3.466 1.00 33.20 H new ATOM 0 HE21 GLN A 10 -5.766 10.434 5.729 1.00 43.31 H new ATOM 0 HE22 GLN A 10 -4.794 9.004 6.088 1.00 43.31 H new ATOM 119 N MET A 11 -10.470 12.455 4.211 1.00 24.25 N ATOM 120 CA MET A 11 -11.765 12.593 3.579 1.00 41.21 C ATOM 121 C MET A 11 -11.661 13.155 2.147 1.00 4.14 C ATOM 122 O MET A 11 -12.573 12.992 1.351 1.00 74.35 O ATOM 123 CB MET A 11 -12.774 13.352 4.441 1.00 71.40 C ATOM 124 CG MET A 11 -13.193 12.581 5.682 1.00 61.00 C ATOM 125 SD MET A 11 -14.420 13.439 6.681 1.00 53.02 S ATOM 126 CE MET A 11 -14.723 12.207 7.947 1.00 23.32 C ATOM 0 H MET A 11 -10.377 12.934 5.107 1.00 24.25 H new ATOM 0 HA MET A 11 -12.164 11.583 3.484 1.00 41.21 H new ATOM 0 HB2 MET A 11 -12.342 14.306 4.742 1.00 71.40 H new ATOM 0 HB3 MET A 11 -13.658 13.576 3.844 1.00 71.40 H new ATOM 0 HG2 MET A 11 -13.594 11.613 5.381 1.00 61.00 H new ATOM 0 HG3 MET A 11 -12.312 12.385 6.293 1.00 61.00 H new ATOM 0 HE1 MET A 11 -15.596 12.495 8.533 1.00 23.32 H new ATOM 0 HE2 MET A 11 -14.904 11.240 7.478 1.00 23.32 H new ATOM 0 HE3 MET A 11 -13.854 12.136 8.601 1.00 23.32 H new ATOM 136 N GLN A 12 -10.537 13.793 1.827 1.00 51.24 N ATOM 137 CA GLN A 12 -10.292 14.219 0.483 1.00 54.25 C ATOM 138 C GLN A 12 -9.417 13.157 -0.221 1.00 32.33 C ATOM 139 O GLN A 12 -9.691 12.786 -1.374 1.00 33.04 O ATOM 140 CB GLN A 12 -9.601 15.604 0.455 1.00 61.12 C ATOM 141 CG GLN A 12 -9.907 16.450 -0.800 1.00 0.20 C ATOM 142 CD GLN A 12 -9.376 15.908 -2.136 1.00 61.32 C ATOM 143 OE1 GLN A 12 -10.025 16.080 -3.173 1.00 73.31 O ATOM 144 NE2 GLN A 12 -8.196 15.342 -2.154 1.00 52.42 N ATOM 0 H GLN A 12 -9.794 14.018 2.489 1.00 51.24 H new ATOM 0 HA GLN A 12 -11.242 14.321 -0.043 1.00 54.25 H new ATOM 0 HB2 GLN A 12 -9.905 16.165 1.338 1.00 61.12 H new ATOM 0 HB3 GLN A 12 -8.523 15.459 0.525 1.00 61.12 H new ATOM 0 HG2 GLN A 12 -10.988 16.561 -0.882 1.00 0.20 H new ATOM 0 HG3 GLN A 12 -9.495 17.448 -0.648 1.00 0.20 H new ATOM 0 HE21 GLN A 12 -7.680 15.211 -1.284 1.00 52.42 H new ATOM 0 HE22 GLN A 12 -7.793 15.032 -3.038 1.00 52.42 H new ATOM 153 N GLU A 13 -8.442 12.571 0.505 1.00 52.44 N ATOM 154 CA GLU A 13 -7.462 11.705 -0.158 1.00 23.32 C ATOM 155 C GLU A 13 -8.037 10.324 -0.437 1.00 60.33 C ATOM 156 O GLU A 13 -8.012 9.832 -1.571 1.00 62.12 O ATOM 157 CB GLU A 13 -6.171 11.610 0.659 1.00 61.11 C ATOM 158 CG GLU A 13 -5.557 12.967 0.979 1.00 1.21 C ATOM 159 CD GLU A 13 -5.452 13.856 -0.244 1.00 61.34 C ATOM 160 OE1 GLU A 13 -4.541 13.646 -1.056 1.00 42.44 O ATOM 161 OE2 GLU A 13 -6.313 14.757 -0.400 1.00 33.12 O ATOM 0 H GLU A 13 -8.318 12.679 1.512 1.00 52.44 H new ATOM 0 HA GLU A 13 -7.219 12.159 -1.119 1.00 23.32 H new ATOM 0 HB2 GLU A 13 -6.377 11.084 1.591 1.00 61.11 H new ATOM 0 HB3 GLU A 13 -5.445 11.011 0.109 1.00 61.11 H new ATOM 0 HG2 GLU A 13 -6.160 13.466 1.737 1.00 1.21 H new ATOM 0 HG3 GLU A 13 -4.565 12.822 1.406 1.00 1.21 H new ATOM 168 N PHE A 14 -8.654 9.762 0.573 1.00 2.12 N ATOM 169 CA PHE A 14 -9.262 8.446 0.524 1.00 21.23 C ATOM 170 C PHE A 14 -10.405 8.508 -0.454 1.00 40.24 C ATOM 171 O PHE A 14 -10.675 7.550 -1.205 1.00 65.30 O ATOM 172 CB PHE A 14 -9.698 8.043 1.946 1.00 74.21 C ATOM 173 CG PHE A 14 -11.123 8.096 2.203 1.00 23.23 C ATOM 174 CD1 PHE A 14 -11.881 7.037 1.922 1.00 52.30 C ATOM 175 CD2 PHE A 14 -11.693 9.208 2.695 1.00 63.14 C ATOM 176 CE1 PHE A 14 -13.184 7.062 2.115 1.00 73.11 C ATOM 177 CE2 PHE A 14 -13.006 9.274 2.906 1.00 61.10 C ATOM 178 CZ PHE A 14 -13.779 8.200 2.616 1.00 63.11 C ATOM 0 H PHE A 14 -8.752 10.217 1.480 1.00 2.12 H new ATOM 0 HA PHE A 14 -8.567 7.679 0.181 1.00 21.23 H new ATOM 0 HB2 PHE A 14 -9.350 7.028 2.140 1.00 74.21 H new ATOM 0 HB3 PHE A 14 -9.194 8.695 2.660 1.00 74.21 H new ATOM 0 HD1 PHE A 14 -11.420 6.143 1.529 1.00 52.30 H new ATOM 0 HD2 PHE A 14 -11.075 10.064 2.924 1.00 63.14 H new ATOM 0 HE1 PHE A 14 -13.783 6.194 1.882 1.00 73.11 H new ATOM 0 HE2 PHE A 14 -13.450 10.174 3.304 1.00 61.10 H new ATOM 0 HZ PHE A 14 -14.847 8.235 2.775 1.00 63.11 H new ATOM 188 N LYS A 15 -11.024 9.694 -0.495 1.00 32.15 N ATOM 189 CA LYS A 15 -12.044 9.988 -1.434 1.00 63.33 C ATOM 190 C LYS A 15 -11.495 9.794 -2.802 1.00 34.31 C ATOM 191 O LYS A 15 -12.058 9.090 -3.576 1.00 1.11 O ATOM 192 CB LYS A 15 -12.489 11.427 -1.338 1.00 73.03 C ATOM 193 CG LYS A 15 -13.543 11.784 -2.393 1.00 31.01 C ATOM 194 CD LYS A 15 -13.638 13.269 -2.667 1.00 20.10 C ATOM 195 CE LYS A 15 -12.457 13.788 -3.519 1.00 23.34 C ATOM 196 NZ LYS A 15 -12.385 13.147 -4.878 1.00 75.51 N ATOM 0 H LYS A 15 -10.809 10.464 0.139 1.00 32.15 H new ATOM 0 HA LYS A 15 -12.890 9.332 -1.227 1.00 63.33 H new ATOM 0 HB2 LYS A 15 -12.896 11.613 -0.344 1.00 73.03 H new ATOM 0 HB3 LYS A 15 -11.625 12.081 -1.456 1.00 73.03 H new ATOM 0 HG2 LYS A 15 -13.307 11.265 -3.322 1.00 31.01 H new ATOM 0 HG3 LYS A 15 -14.516 11.420 -2.062 1.00 31.01 H new ATOM 0 HD2 LYS A 15 -14.575 13.481 -3.182 1.00 20.10 H new ATOM 0 HD3 LYS A 15 -13.665 13.809 -1.721 1.00 20.10 H new ATOM 0 HE2 LYS A 15 -12.549 14.868 -3.637 1.00 23.34 H new ATOM 0 HE3 LYS A 15 -11.524 13.604 -2.987 1.00 23.34 H new ATOM 0 HZ1 LYS A 15 -11.698 13.659 -5.468 1.00 75.51 H new ATOM 0 HZ2 LYS A 15 -12.085 12.156 -4.779 1.00 75.51 H new ATOM 0 HZ3 LYS A 15 -13.322 13.182 -5.328 1.00 75.51 H new ATOM 210 N GLN A 16 -10.321 10.360 -3.045 1.00 34.21 N ATOM 211 CA GLN A 16 -9.758 10.397 -4.360 1.00 42.21 C ATOM 212 C GLN A 16 -9.299 9.012 -4.778 1.00 74.24 C ATOM 213 O GLN A 16 -9.330 8.673 -5.959 1.00 22.24 O ATOM 214 CB GLN A 16 -8.625 11.426 -4.421 1.00 45.03 C ATOM 215 CG GLN A 16 -8.267 11.887 -5.828 1.00 75.44 C ATOM 216 CD GLN A 16 -9.510 12.287 -6.604 1.00 55.20 C ATOM 217 OE1 GLN A 16 -9.981 13.417 -6.515 1.00 65.31 O ATOM 218 NE2 GLN A 16 -10.028 11.376 -7.380 1.00 54.35 N ATOM 0 H GLN A 16 -9.744 10.801 -2.329 1.00 34.21 H new ATOM 0 HA GLN A 16 -10.522 10.711 -5.071 1.00 42.21 H new ATOM 0 HB2 GLN A 16 -8.908 12.296 -3.828 1.00 45.03 H new ATOM 0 HB3 GLN A 16 -7.737 10.998 -3.955 1.00 45.03 H new ATOM 0 HG2 GLN A 16 -7.581 12.732 -5.774 1.00 75.44 H new ATOM 0 HG3 GLN A 16 -7.747 11.087 -6.355 1.00 75.44 H new ATOM 0 HE21 GLN A 16 -9.608 10.448 -7.427 1.00 54.35 H new ATOM 0 HE22 GLN A 16 -10.853 11.592 -7.940 1.00 54.35 H new ATOM 227 N SER A 17 -8.918 8.220 -3.801 1.00 52.24 N ATOM 228 CA SER A 17 -8.513 6.863 -4.025 1.00 71.44 C ATOM 229 C SER A 17 -9.703 6.004 -4.482 1.00 22.51 C ATOM 230 O SER A 17 -9.550 5.171 -5.383 1.00 61.42 O ATOM 231 CB SER A 17 -7.845 6.303 -2.778 1.00 61.25 C ATOM 232 OG SER A 17 -7.367 4.987 -2.975 1.00 61.04 O ATOM 0 H SER A 17 -8.883 8.508 -2.823 1.00 52.24 H new ATOM 0 HA SER A 17 -7.779 6.840 -4.831 1.00 71.44 H new ATOM 0 HB2 SER A 17 -7.016 6.950 -2.490 1.00 61.25 H new ATOM 0 HB3 SER A 17 -8.556 6.310 -1.952 1.00 61.25 H new ATOM 0 HG SER A 17 -6.808 4.725 -2.214 1.00 61.04 H new ATOM 238 N PHE A 18 -10.896 6.174 -3.872 1.00 51.02 N ATOM 239 CA PHE A 18 -12.040 5.464 -4.434 1.00 3.13 C ATOM 240 C PHE A 18 -12.458 6.122 -5.732 1.00 21.54 C ATOM 241 O PHE A 18 -12.441 5.491 -6.739 1.00 51.02 O ATOM 242 CB PHE A 18 -13.260 5.237 -3.462 1.00 20.10 C ATOM 243 CG PHE A 18 -13.943 6.429 -2.825 1.00 41.02 C ATOM 244 CD1 PHE A 18 -14.772 7.267 -3.557 1.00 41.51 C ATOM 245 CD2 PHE A 18 -13.797 6.668 -1.482 1.00 50.43 C ATOM 246 CE1 PHE A 18 -15.419 8.321 -2.961 1.00 55.02 C ATOM 247 CE2 PHE A 18 -14.443 7.721 -0.882 1.00 63.25 C ATOM 248 CZ PHE A 18 -15.251 8.548 -1.620 1.00 1.03 C ATOM 0 H PHE A 18 -11.077 6.753 -3.052 1.00 51.02 H new ATOM 0 HA PHE A 18 -11.692 4.448 -4.623 1.00 3.13 H new ATOM 0 HB2 PHE A 18 -14.019 4.684 -4.016 1.00 20.10 H new ATOM 0 HB3 PHE A 18 -12.918 4.588 -2.656 1.00 20.10 H new ATOM 0 HD1 PHE A 18 -14.911 7.087 -4.613 1.00 41.51 H new ATOM 0 HD2 PHE A 18 -13.167 6.021 -0.890 1.00 50.43 H new ATOM 0 HE1 PHE A 18 -16.057 8.968 -3.546 1.00 55.02 H new ATOM 0 HE2 PHE A 18 -14.314 7.899 0.175 1.00 63.25 H new ATOM 0 HZ PHE A 18 -15.754 9.377 -1.145 1.00 1.03 H new ATOM 258 N ASP A 19 -12.651 7.442 -5.657 1.00 25.33 N ATOM 259 CA ASP A 19 -13.147 8.371 -6.727 1.00 71.25 C ATOM 260 C ASP A 19 -12.551 8.044 -8.082 1.00 51.44 C ATOM 261 O ASP A 19 -13.270 7.843 -9.053 1.00 11.42 O ATOM 262 CB ASP A 19 -12.702 9.778 -6.307 1.00 34.03 C ATOM 263 CG ASP A 19 -13.175 10.963 -7.115 1.00 52.53 C ATOM 264 OD1 ASP A 19 -12.641 11.202 -8.195 1.00 53.30 O ATOM 265 OD2 ASP A 19 -13.963 11.768 -6.549 1.00 10.20 O ATOM 0 H ASP A 19 -12.456 7.946 -4.792 1.00 25.33 H new ATOM 0 HA ASP A 19 -14.229 8.283 -6.826 1.00 71.25 H new ATOM 0 HB2 ASP A 19 -13.023 9.932 -5.277 1.00 34.03 H new ATOM 0 HB3 ASP A 19 -11.612 9.793 -6.307 1.00 34.03 H new ATOM 270 N ALA A 20 -11.231 7.938 -8.104 1.00 52.22 N ATOM 271 CA ALA A 20 -10.474 7.666 -9.312 1.00 23.42 C ATOM 272 C ALA A 20 -10.921 6.357 -9.983 1.00 35.22 C ATOM 273 O ALA A 20 -11.074 6.282 -11.196 1.00 54.12 O ATOM 274 CB ALA A 20 -8.990 7.585 -8.946 1.00 52.02 C ATOM 0 H ALA A 20 -10.650 8.040 -7.272 1.00 52.22 H new ATOM 0 HA ALA A 20 -10.651 8.471 -10.025 1.00 23.42 H new ATOM 0 HB1 ALA A 20 -8.405 7.381 -9.843 1.00 52.02 H new ATOM 0 HB2 ALA A 20 -8.670 8.532 -8.512 1.00 52.02 H new ATOM 0 HB3 ALA A 20 -8.837 6.784 -8.223 1.00 52.02 H new ATOM 280 N PHE A 21 -11.079 5.342 -9.177 1.00 43.33 N ATOM 281 CA PHE A 21 -11.413 4.002 -9.629 1.00 2.32 C ATOM 282 C PHE A 21 -12.888 3.661 -9.388 1.00 70.23 C ATOM 283 O PHE A 21 -13.281 2.504 -9.504 1.00 60.41 O ATOM 284 CB PHE A 21 -10.519 3.005 -8.899 1.00 63.11 C ATOM 285 CG PHE A 21 -9.051 3.304 -9.048 1.00 72.53 C ATOM 286 CD1 PHE A 21 -8.439 3.240 -10.285 1.00 41.23 C ATOM 287 CD2 PHE A 21 -8.290 3.661 -7.947 1.00 15.44 C ATOM 288 CE1 PHE A 21 -7.099 3.531 -10.422 1.00 60.25 C ATOM 289 CE2 PHE A 21 -6.949 3.949 -8.075 1.00 63.53 C ATOM 290 CZ PHE A 21 -6.351 3.885 -9.315 1.00 74.22 C ATOM 0 H PHE A 21 -10.979 5.416 -8.165 1.00 43.33 H new ATOM 0 HA PHE A 21 -11.247 3.950 -10.705 1.00 2.32 H new ATOM 0 HB2 PHE A 21 -10.777 3.003 -7.840 1.00 63.11 H new ATOM 0 HB3 PHE A 21 -10.719 2.003 -9.277 1.00 63.11 H new ATOM 0 HD1 PHE A 21 -9.017 2.959 -11.153 1.00 41.23 H new ATOM 0 HD2 PHE A 21 -8.755 3.714 -6.974 1.00 15.44 H new ATOM 0 HE1 PHE A 21 -6.633 3.482 -11.395 1.00 60.25 H new ATOM 0 HE2 PHE A 21 -6.368 4.224 -7.207 1.00 63.53 H new ATOM 0 HZ PHE A 21 -5.300 4.111 -9.421 1.00 74.22 H new ATOM 300 N ASP A 22 -13.678 4.648 -9.037 1.00 42.44 N ATOM 301 CA ASP A 22 -15.034 4.406 -8.548 1.00 41.34 C ATOM 302 C ASP A 22 -16.046 4.407 -9.680 1.00 73.04 C ATOM 303 O ASP A 22 -15.914 5.154 -10.659 1.00 24.12 O ATOM 304 CB ASP A 22 -15.417 5.476 -7.518 1.00 42.11 C ATOM 305 CG ASP A 22 -16.514 5.052 -6.568 1.00 62.52 C ATOM 306 OD1 ASP A 22 -17.508 4.453 -7.011 1.00 63.12 O ATOM 307 OD2 ASP A 22 -16.391 5.313 -5.374 1.00 62.01 O ATOM 0 H ASP A 22 -13.413 5.632 -9.078 1.00 42.44 H new ATOM 0 HA ASP A 22 -15.047 3.421 -8.082 1.00 41.34 H new ATOM 0 HB2 ASP A 22 -14.532 5.742 -6.939 1.00 42.11 H new ATOM 0 HB3 ASP A 22 -15.735 6.376 -8.045 1.00 42.11 H new ATOM 312 N GLY A 23 -17.068 3.606 -9.524 1.00 31.23 N ATOM 313 CA GLY A 23 -18.094 3.498 -10.507 1.00 32.23 C ATOM 314 C GLY A 23 -19.402 4.112 -10.042 1.00 24.03 C ATOM 315 O GLY A 23 -20.268 4.415 -10.862 1.00 24.42 O ATOM 0 H GLY A 23 -17.205 3.012 -8.706 1.00 31.23 H new ATOM 0 HA2 GLY A 23 -17.769 3.990 -11.424 1.00 32.23 H new ATOM 0 HA3 GLY A 23 -18.254 2.447 -10.749 1.00 32.23 H new ATOM 319 N ASN A 24 -19.553 4.312 -8.735 1.00 4.53 N ATOM 320 CA ASN A 24 -20.805 4.864 -8.196 1.00 60.51 C ATOM 321 C ASN A 24 -20.562 6.185 -7.441 1.00 53.21 C ATOM 322 O ASN A 24 -21.441 7.020 -7.366 1.00 74.52 O ATOM 323 CB ASN A 24 -21.497 3.818 -7.275 1.00 13.23 C ATOM 324 CG ASN A 24 -20.668 3.445 -6.043 1.00 51.41 C ATOM 325 OD1 ASN A 24 -19.827 2.538 -6.089 1.00 3.53 O ATOM 326 ND2 ASN A 24 -20.954 4.064 -4.934 1.00 30.10 N ATOM 0 H ASN A 24 -18.840 4.106 -8.035 1.00 4.53 H new ATOM 0 HA ASN A 24 -21.466 5.087 -9.034 1.00 60.51 H new ATOM 0 HB2 ASN A 24 -22.459 4.213 -6.949 1.00 13.23 H new ATOM 0 HB3 ASN A 24 -21.701 2.916 -7.852 1.00 13.23 H new ATOM 0 HD21 ASN A 24 -20.480 3.806 -4.069 1.00 30.10 H new ATOM 0 HD22 ASN A 24 -21.652 4.807 -4.930 1.00 30.10 H new ATOM 333 N HIS A 25 -19.323 6.376 -6.970 1.00 33.54 N ATOM 334 CA HIS A 25 -18.812 7.613 -6.313 1.00 5.22 C ATOM 335 C HIS A 25 -19.759 8.322 -5.313 1.00 73.11 C ATOM 336 O HIS A 25 -19.738 9.548 -5.187 1.00 63.24 O ATOM 337 CB HIS A 25 -18.146 8.595 -7.329 1.00 4.11 C ATOM 338 CG HIS A 25 -18.953 8.938 -8.556 1.00 42.15 C ATOM 339 ND1 HIS A 25 -18.770 8.326 -9.781 1.00 61.23 N ATOM 340 CD2 HIS A 25 -19.932 9.857 -8.744 1.00 32.22 C ATOM 341 CE1 HIS A 25 -19.618 8.876 -10.650 1.00 45.23 C ATOM 342 NE2 HIS A 25 -20.348 9.812 -10.077 1.00 33.12 N ATOM 0 H HIS A 25 -18.610 5.650 -7.033 1.00 33.54 H new ATOM 0 HA HIS A 25 -18.031 7.233 -5.654 1.00 5.22 H new ATOM 0 HB2 HIS A 25 -17.910 9.521 -6.805 1.00 4.11 H new ATOM 0 HB3 HIS A 25 -17.199 8.162 -7.652 1.00 4.11 H new ATOM 0 HD2 HIS A 25 -20.327 10.517 -7.986 1.00 32.22 H new ATOM 0 HE1 HIS A 25 -19.697 8.592 -11.689 1.00 45.23 H new ATOM 0 HE2 HIS A 25 -21.068 10.385 -10.516 1.00 33.12 H new ATOM 350 N ASP A 26 -20.502 7.538 -4.531 1.00 34.22 N ATOM 351 CA ASP A 26 -21.436 8.092 -3.501 1.00 25.32 C ATOM 352 C ASP A 26 -20.673 8.483 -2.238 1.00 73.25 C ATOM 353 O ASP A 26 -21.229 9.048 -1.300 1.00 73.23 O ATOM 354 CB ASP A 26 -22.495 7.056 -3.078 1.00 3.41 C ATOM 355 CG ASP A 26 -23.421 6.608 -4.173 1.00 55.01 C ATOM 356 OD1 ASP A 26 -23.092 5.601 -4.837 1.00 44.51 O ATOM 357 OD2 ASP A 26 -24.488 7.217 -4.341 1.00 63.14 O ATOM 0 H ASP A 26 -20.489 6.519 -4.577 1.00 34.22 H new ATOM 0 HA ASP A 26 -21.917 8.958 -3.957 1.00 25.32 H new ATOM 0 HB2 ASP A 26 -21.984 6.182 -2.675 1.00 3.41 H new ATOM 0 HB3 ASP A 26 -23.091 7.478 -2.269 1.00 3.41 H new ATOM 362 N GLY A 27 -19.409 8.158 -2.216 1.00 42.21 N ATOM 363 CA GLY A 27 -18.581 8.355 -1.037 1.00 12.31 C ATOM 364 C GLY A 27 -18.246 7.019 -0.459 1.00 54.41 C ATOM 365 O GLY A 27 -17.431 6.888 0.444 1.00 74.02 O ATOM 0 H GLY A 27 -18.916 7.749 -3.010 1.00 42.21 H new ATOM 0 HA2 GLY A 27 -17.670 8.892 -1.301 1.00 12.31 H new ATOM 0 HA3 GLY A 27 -19.108 8.963 -0.302 1.00 12.31 H new ATOM 369 N ILE A 28 -18.897 6.037 -0.999 1.00 73.54 N ATOM 370 CA ILE A 28 -18.692 4.669 -0.671 1.00 34.42 C ATOM 371 C ILE A 28 -18.488 3.960 -1.995 1.00 1.21 C ATOM 372 O ILE A 28 -18.862 4.512 -3.033 1.00 25.05 O ATOM 373 CB ILE A 28 -19.925 4.047 0.066 1.00 71.05 C ATOM 374 CG1 ILE A 28 -21.195 4.145 -0.810 1.00 2.33 C ATOM 375 CG2 ILE A 28 -20.155 4.755 1.400 1.00 60.11 C ATOM 376 CD1 ILE A 28 -22.422 3.487 -0.209 1.00 35.24 C ATOM 0 H ILE A 28 -19.615 6.177 -1.710 1.00 73.54 H new ATOM 0 HA ILE A 28 -17.842 4.565 0.004 1.00 34.42 H new ATOM 0 HB ILE A 28 -19.715 2.994 0.253 1.00 71.05 H new ATOM 0 HG12 ILE A 28 -21.415 5.197 -0.994 1.00 2.33 H new ATOM 0 HG13 ILE A 28 -20.990 3.688 -1.778 1.00 2.33 H new ATOM 0 HG21 ILE A 28 -21.015 4.313 1.903 1.00 60.11 H new ATOM 0 HG22 ILE A 28 -19.271 4.644 2.028 1.00 60.11 H new ATOM 0 HG23 ILE A 28 -20.343 5.814 1.222 1.00 60.11 H new ATOM 0 HD11 ILE A 28 -23.266 3.603 -0.888 1.00 35.24 H new ATOM 0 HD12 ILE A 28 -22.226 2.426 -0.051 1.00 35.24 H new ATOM 0 HD13 ILE A 28 -22.657 3.958 0.745 1.00 35.24 H new ATOM 388 N LEU A 29 -17.962 2.775 -1.979 1.00 72.21 N ATOM 389 CA LEU A 29 -17.661 2.090 -3.213 1.00 34.21 C ATOM 390 C LEU A 29 -18.300 0.686 -3.180 1.00 14.31 C ATOM 391 O LEU A 29 -18.483 0.099 -2.102 1.00 61.44 O ATOM 392 CB LEU A 29 -16.122 1.986 -3.353 1.00 13.32 C ATOM 393 CG LEU A 29 -15.521 2.237 -4.740 1.00 50.12 C ATOM 394 CD1 LEU A 29 -14.024 2.062 -4.718 1.00 61.32 C ATOM 395 CD2 LEU A 29 -16.106 1.318 -5.748 1.00 14.34 C ATOM 0 H LEU A 29 -17.730 2.257 -1.132 1.00 72.21 H new ATOM 0 HA LEU A 29 -18.064 2.635 -4.066 1.00 34.21 H new ATOM 0 HB2 LEU A 29 -15.672 2.695 -2.658 1.00 13.32 H new ATOM 0 HB3 LEU A 29 -15.821 0.989 -3.031 1.00 13.32 H new ATOM 0 HG LEU A 29 -15.757 3.265 -5.015 1.00 50.12 H new ATOM 0 HD11 LEU A 29 -13.622 2.246 -5.714 1.00 61.32 H new ATOM 0 HD12 LEU A 29 -13.585 2.769 -4.014 1.00 61.32 H new ATOM 0 HD13 LEU A 29 -13.781 1.045 -4.410 1.00 61.32 H new ATOM 0 HD21 LEU A 29 -15.662 1.518 -6.723 1.00 14.34 H new ATOM 0 HD22 LEU A 29 -15.903 0.286 -5.461 1.00 14.34 H new ATOM 0 HD23 LEU A 29 -17.183 1.474 -5.801 1.00 14.34 H new ATOM 407 N ASP A 30 -18.665 0.171 -4.324 1.00 51.32 N ATOM 408 CA ASP A 30 -19.201 -1.180 -4.418 1.00 15.45 C ATOM 409 C ASP A 30 -18.025 -2.186 -4.571 1.00 33.01 C ATOM 410 O ASP A 30 -16.872 -1.775 -4.784 1.00 5.12 O ATOM 411 CB ASP A 30 -20.193 -1.285 -5.605 1.00 52.42 C ATOM 412 CG ASP A 30 -19.675 -2.129 -6.745 1.00 45.43 C ATOM 413 OD1 ASP A 30 -18.876 -1.627 -7.555 1.00 63.12 O ATOM 414 OD2 ASP A 30 -20.015 -3.332 -6.785 1.00 51.14 O ATOM 0 H ASP A 30 -18.604 0.663 -5.215 1.00 51.32 H new ATOM 0 HA ASP A 30 -19.752 -1.422 -3.509 1.00 15.45 H new ATOM 0 HB2 ASP A 30 -21.132 -1.707 -5.248 1.00 52.42 H new ATOM 0 HB3 ASP A 30 -20.413 -0.284 -5.975 1.00 52.42 H new ATOM 419 N LYS A 31 -18.306 -3.492 -4.468 1.00 32.14 N ATOM 420 CA LYS A 31 -17.257 -4.502 -4.576 1.00 1.41 C ATOM 421 C LYS A 31 -16.656 -4.524 -5.981 1.00 3.04 C ATOM 422 O LYS A 31 -15.413 -4.569 -6.131 1.00 1.11 O ATOM 423 CB LYS A 31 -17.762 -5.925 -4.216 1.00 23.01 C ATOM 424 CG LYS A 31 -16.654 -6.979 -4.340 1.00 65.35 C ATOM 425 CD LYS A 31 -17.083 -8.407 -4.016 1.00 22.25 C ATOM 426 CE LYS A 31 -15.894 -9.357 -4.231 1.00 41.13 C ATOM 427 NZ LYS A 31 -16.194 -10.772 -3.917 1.00 5.31 N ATOM 0 H LYS A 31 -19.242 -3.866 -4.312 1.00 32.14 H new ATOM 0 HA LYS A 31 -16.491 -4.220 -3.854 1.00 1.41 H new ATOM 0 HB2 LYS A 31 -18.149 -5.925 -3.197 1.00 23.01 H new ATOM 0 HB3 LYS A 31 -18.591 -6.192 -4.872 1.00 23.01 H new ATOM 0 HG2 LYS A 31 -16.263 -6.955 -5.357 1.00 65.35 H new ATOM 0 HG3 LYS A 31 -15.834 -6.703 -3.677 1.00 65.35 H new ATOM 0 HD2 LYS A 31 -17.431 -8.469 -2.985 1.00 22.25 H new ATOM 0 HD3 LYS A 31 -17.918 -8.701 -4.652 1.00 22.25 H new ATOM 0 HE2 LYS A 31 -15.568 -9.286 -5.269 1.00 41.13 H new ATOM 0 HE3 LYS A 31 -15.060 -9.026 -3.612 1.00 41.13 H new ATOM 0 HZ1 LYS A 31 -15.452 -11.381 -4.317 1.00 5.31 H new ATOM 0 HZ2 LYS A 31 -16.228 -10.899 -2.885 1.00 5.31 H new ATOM 0 HZ3 LYS A 31 -17.114 -11.031 -4.328 1.00 5.31 H new ATOM 441 N LEU A 32 -17.529 -4.429 -6.981 1.00 12.01 N ATOM 442 CA LEU A 32 -17.169 -4.562 -8.376 1.00 43.05 C ATOM 443 C LEU A 32 -16.079 -3.582 -8.734 1.00 11.44 C ATOM 444 O LEU A 32 -15.031 -3.982 -9.201 1.00 33.40 O ATOM 445 CB LEU A 32 -18.396 -4.351 -9.281 1.00 74.32 C ATOM 446 CG LEU A 32 -18.218 -4.651 -10.770 1.00 64.24 C ATOM 447 CD1 LEU A 32 -18.018 -6.143 -11.000 1.00 3.01 C ATOM 448 CD2 LEU A 32 -19.406 -4.137 -11.566 1.00 43.24 C ATOM 0 H LEU A 32 -18.523 -4.254 -6.834 1.00 12.01 H new ATOM 0 HA LEU A 32 -16.796 -5.574 -8.536 1.00 43.05 H new ATOM 0 HB2 LEU A 32 -19.207 -4.975 -8.904 1.00 74.32 H new ATOM 0 HB3 LEU A 32 -18.718 -3.314 -9.180 1.00 74.32 H new ATOM 0 HG LEU A 32 -17.325 -4.132 -11.118 1.00 64.24 H new ATOM 0 HD11 LEU A 32 -17.894 -6.333 -12.066 1.00 3.01 H new ATOM 0 HD12 LEU A 32 -17.129 -6.478 -10.465 1.00 3.01 H new ATOM 0 HD13 LEU A 32 -18.888 -6.688 -10.633 1.00 3.01 H new ATOM 0 HD21 LEU A 32 -19.260 -4.360 -12.623 1.00 43.24 H new ATOM 0 HD22 LEU A 32 -20.317 -4.623 -11.215 1.00 43.24 H new ATOM 0 HD23 LEU A 32 -19.495 -3.059 -11.432 1.00 43.24 H new ATOM 460 N GLU A 33 -16.288 -2.320 -8.466 1.00 2.21 N ATOM 461 CA GLU A 33 -15.268 -1.360 -8.789 1.00 14.35 C ATOM 462 C GLU A 33 -14.175 -1.220 -7.723 1.00 64.10 C ATOM 463 O GLU A 33 -13.042 -0.773 -8.026 1.00 53.11 O ATOM 464 CB GLU A 33 -15.827 -0.039 -9.292 1.00 71.11 C ATOM 465 CG GLU A 33 -16.525 -0.191 -10.647 1.00 14.30 C ATOM 466 CD GLU A 33 -15.686 -1.002 -11.639 1.00 40.10 C ATOM 467 OE1 GLU A 33 -14.511 -0.640 -11.892 1.00 71.02 O ATOM 468 OE2 GLU A 33 -16.177 -2.043 -12.164 1.00 41.22 O ATOM 0 H GLU A 33 -17.132 -1.940 -8.036 1.00 2.21 H new ATOM 0 HA GLU A 33 -14.740 -1.784 -9.643 1.00 14.35 H new ATOM 0 HB2 GLU A 33 -16.533 0.357 -8.563 1.00 71.11 H new ATOM 0 HB3 GLU A 33 -15.019 0.687 -9.380 1.00 71.11 H new ATOM 0 HG2 GLU A 33 -17.489 -0.679 -10.505 1.00 14.30 H new ATOM 0 HG3 GLU A 33 -16.725 0.796 -11.064 1.00 14.30 H new ATOM 475 N PHE A 34 -14.449 -1.650 -6.475 1.00 0.22 N ATOM 476 CA PHE A 34 -13.384 -1.658 -5.460 1.00 20.42 C ATOM 477 C PHE A 34 -12.283 -2.640 -5.905 1.00 54.01 C ATOM 478 O PHE A 34 -11.109 -2.503 -5.529 1.00 35.02 O ATOM 479 CB PHE A 34 -13.920 -1.994 -4.057 1.00 11.25 C ATOM 480 CG PHE A 34 -12.959 -1.702 -2.920 1.00 22.20 C ATOM 481 CD1 PHE A 34 -12.284 -0.489 -2.861 1.00 31.35 C ATOM 482 CD2 PHE A 34 -12.772 -2.610 -1.893 1.00 51.13 C ATOM 483 CE1 PHE A 34 -11.447 -0.185 -1.820 1.00 61.42 C ATOM 484 CE2 PHE A 34 -11.922 -2.316 -0.837 1.00 55.24 C ATOM 485 CZ PHE A 34 -11.261 -1.099 -0.801 1.00 72.35 C ATOM 0 H PHE A 34 -15.359 -1.983 -6.157 1.00 0.22 H new ATOM 0 HA PHE A 34 -12.962 -0.656 -5.381 1.00 20.42 H new ATOM 0 HB2 PHE A 34 -14.839 -1.432 -3.891 1.00 11.25 H new ATOM 0 HB3 PHE A 34 -14.184 -3.051 -4.028 1.00 11.25 H new ATOM 0 HD1 PHE A 34 -12.422 0.231 -3.654 1.00 31.35 H new ATOM 0 HD2 PHE A 34 -13.292 -3.556 -1.914 1.00 51.13 H new ATOM 0 HE1 PHE A 34 -10.935 0.765 -1.796 1.00 61.42 H new ATOM 0 HE2 PHE A 34 -11.776 -3.035 -0.044 1.00 55.24 H new ATOM 0 HZ PHE A 34 -10.602 -0.865 0.022 1.00 72.35 H new ATOM 495 N ARG A 35 -12.687 -3.618 -6.733 1.00 13.12 N ATOM 496 CA ARG A 35 -11.759 -4.507 -7.433 1.00 21.52 C ATOM 497 C ARG A 35 -10.745 -3.671 -8.224 1.00 62.40 C ATOM 498 O ARG A 35 -9.543 -3.910 -8.145 1.00 22.54 O ATOM 499 CB ARG A 35 -12.527 -5.370 -8.433 1.00 62.42 C ATOM 500 CG ARG A 35 -11.665 -6.221 -9.369 1.00 34.33 C ATOM 501 CD ARG A 35 -12.410 -6.485 -10.675 1.00 30.11 C ATOM 502 NE ARG A 35 -12.687 -5.211 -11.378 1.00 2.33 N ATOM 503 CZ ARG A 35 -13.884 -4.805 -11.842 1.00 15.01 C ATOM 504 NH1 ARG A 35 -14.909 -5.643 -11.911 1.00 62.03 N ATOM 505 NH2 ARG A 35 -14.033 -3.573 -12.248 1.00 12.32 N ATOM 0 H ARG A 35 -13.669 -3.810 -6.933 1.00 13.12 H new ATOM 0 HA ARG A 35 -11.253 -5.132 -6.697 1.00 21.52 H new ATOM 0 HB2 ARG A 35 -13.193 -6.032 -7.879 1.00 62.42 H new ATOM 0 HB3 ARG A 35 -13.157 -4.719 -9.039 1.00 62.42 H new ATOM 0 HG2 ARG A 35 -10.725 -5.710 -9.575 1.00 34.33 H new ATOM 0 HG3 ARG A 35 -11.415 -7.166 -8.887 1.00 34.33 H new ATOM 0 HD2 ARG A 35 -11.816 -7.139 -11.314 1.00 30.11 H new ATOM 0 HD3 ARG A 35 -13.346 -7.005 -10.469 1.00 30.11 H new ATOM 0 HE ARG A 35 -11.897 -4.582 -11.524 1.00 2.33 H new ATOM 0 HH11 ARG A 35 -14.797 -6.611 -11.610 1.00 62.03 H new ATOM 0 HH12 ARG A 35 -15.809 -5.320 -12.265 1.00 62.03 H new ATOM 0 HH21 ARG A 35 -13.246 -2.926 -12.212 1.00 12.32 H new ATOM 0 HH22 ARG A 35 -14.937 -3.258 -12.601 1.00 12.32 H new ATOM 519 N SER A 36 -11.243 -2.674 -8.964 1.00 23.04 N ATOM 520 CA SER A 36 -10.409 -1.837 -9.817 1.00 23.20 C ATOM 521 C SER A 36 -9.501 -0.972 -8.962 1.00 33.42 C ATOM 522 O SER A 36 -8.314 -0.791 -9.272 1.00 71.22 O ATOM 523 CB SER A 36 -11.288 -0.963 -10.716 1.00 1.20 C ATOM 524 OG SER A 36 -12.198 -1.763 -11.451 1.00 12.54 O ATOM 0 H SER A 36 -12.233 -2.430 -8.985 1.00 23.04 H new ATOM 0 HA SER A 36 -9.792 -2.475 -10.449 1.00 23.20 H new ATOM 0 HB2 SER A 36 -11.836 -0.243 -10.109 1.00 1.20 H new ATOM 0 HB3 SER A 36 -10.662 -0.391 -11.401 1.00 1.20 H new ATOM 0 HG SER A 36 -12.863 -1.188 -11.885 1.00 12.54 H new ATOM 530 N CYS A 37 -10.051 -0.484 -7.865 1.00 32.31 N ATOM 531 CA CYS A 37 -9.304 0.339 -6.941 1.00 13.15 C ATOM 532 C CYS A 37 -8.088 -0.432 -6.380 1.00 73.34 C ATOM 533 O CYS A 37 -6.944 -0.022 -6.572 1.00 61.03 O ATOM 534 CB CYS A 37 -10.225 0.845 -5.811 1.00 14.20 C ATOM 535 SG CYS A 37 -9.475 2.044 -4.679 1.00 33.03 S ATOM 0 H CYS A 37 -11.021 -0.647 -7.594 1.00 32.31 H new ATOM 0 HA CYS A 37 -8.921 1.208 -7.476 1.00 13.15 H new ATOM 0 HB2 CYS A 37 -11.109 1.298 -6.260 1.00 14.20 H new ATOM 0 HB3 CYS A 37 -10.566 -0.013 -5.231 1.00 14.20 H new ATOM 0 HG CYS A 37 -9.618 3.243 -5.160 1.00 33.03 H new ATOM 541 N LEU A 38 -8.333 -1.596 -5.786 1.00 63.14 N ATOM 542 CA LEU A 38 -7.260 -2.364 -5.145 1.00 10.42 C ATOM 543 C LEU A 38 -6.302 -3.022 -6.141 1.00 64.03 C ATOM 544 O LEU A 38 -5.180 -3.421 -5.781 1.00 10.40 O ATOM 545 CB LEU A 38 -7.807 -3.378 -4.142 1.00 64.33 C ATOM 546 CG LEU A 38 -8.676 -2.808 -3.016 1.00 23.44 C ATOM 547 CD1 LEU A 38 -8.995 -3.876 -1.991 1.00 31.22 C ATOM 548 CD2 LEU A 38 -8.023 -1.595 -2.355 1.00 24.13 C ATOM 0 H LEU A 38 -9.255 -2.029 -5.733 1.00 63.14 H new ATOM 0 HA LEU A 38 -6.667 -1.635 -4.594 1.00 10.42 H new ATOM 0 HB2 LEU A 38 -8.393 -4.118 -4.687 1.00 64.33 H new ATOM 0 HB3 LEU A 38 -6.965 -3.905 -3.693 1.00 64.33 H new ATOM 0 HG LEU A 38 -9.611 -2.470 -3.463 1.00 23.44 H new ATOM 0 HD11 LEU A 38 -9.613 -3.449 -1.201 1.00 31.22 H new ATOM 0 HD12 LEU A 38 -9.534 -4.692 -2.472 1.00 31.22 H new ATOM 0 HD13 LEU A 38 -8.068 -4.256 -1.561 1.00 31.22 H new ATOM 0 HD21 LEU A 38 -8.670 -1.220 -1.562 1.00 24.13 H new ATOM 0 HD22 LEU A 38 -7.061 -1.885 -1.932 1.00 24.13 H new ATOM 0 HD23 LEU A 38 -7.871 -0.813 -3.099 1.00 24.13 H new ATOM 560 N SER A 39 -6.724 -3.172 -7.365 1.00 2.42 N ATOM 561 CA SER A 39 -5.845 -3.728 -8.352 1.00 44.32 C ATOM 562 C SER A 39 -4.880 -2.675 -8.862 1.00 5.33 C ATOM 563 O SER A 39 -3.667 -2.852 -8.789 1.00 14.43 O ATOM 564 CB SER A 39 -6.624 -4.395 -9.479 1.00 5.21 C ATOM 565 OG SER A 39 -7.644 -3.549 -9.960 1.00 53.31 O ATOM 0 H SER A 39 -7.655 -2.922 -7.699 1.00 2.42 H new ATOM 0 HA SER A 39 -5.252 -4.512 -7.881 1.00 44.32 H new ATOM 0 HB2 SER A 39 -5.945 -4.651 -10.293 1.00 5.21 H new ATOM 0 HB3 SER A 39 -7.059 -5.328 -9.122 1.00 5.21 H new ATOM 0 HG SER A 39 -8.474 -3.725 -9.469 1.00 53.31 H new ATOM 571 N SER A 40 -5.412 -1.537 -9.278 1.00 72.14 N ATOM 572 CA SER A 40 -4.588 -0.480 -9.807 1.00 43.30 C ATOM 573 C SER A 40 -3.807 0.233 -8.685 1.00 33.34 C ATOM 574 O SER A 40 -2.872 0.983 -8.956 1.00 73.24 O ATOM 575 CB SER A 40 -5.430 0.502 -10.630 1.00 22.31 C ATOM 576 OG SER A 40 -4.622 1.483 -11.263 1.00 61.43 O ATOM 0 H SER A 40 -6.410 -1.329 -9.257 1.00 72.14 H new ATOM 0 HA SER A 40 -3.851 -0.923 -10.476 1.00 43.30 H new ATOM 0 HB2 SER A 40 -5.995 -0.046 -11.384 1.00 22.31 H new ATOM 0 HB3 SER A 40 -6.156 0.992 -9.981 1.00 22.31 H new ATOM 0 HG SER A 40 -5.063 2.356 -11.207 1.00 61.43 H new ATOM 582 N MET A 41 -4.215 0.011 -7.432 1.00 54.10 N ATOM 583 CA MET A 41 -3.475 0.532 -6.281 1.00 55.42 C ATOM 584 C MET A 41 -2.194 -0.290 -6.074 1.00 33.23 C ATOM 585 O MET A 41 -1.245 0.170 -5.454 1.00 65.12 O ATOM 586 CB MET A 41 -4.344 0.479 -5.016 1.00 61.22 C ATOM 587 CG MET A 41 -3.739 1.155 -3.788 1.00 65.14 C ATOM 588 SD MET A 41 -4.794 1.013 -2.323 1.00 20.03 S ATOM 589 CE MET A 41 -6.272 1.856 -2.884 1.00 70.51 C ATOM 0 H MET A 41 -5.050 -0.523 -7.190 1.00 54.10 H new ATOM 0 HA MET A 41 -3.209 1.571 -6.475 1.00 55.42 H new ATOM 0 HB2 MET A 41 -5.304 0.947 -5.233 1.00 61.22 H new ATOM 0 HB3 MET A 41 -4.545 -0.565 -4.775 1.00 61.22 H new ATOM 0 HG2 MET A 41 -2.767 0.710 -3.575 1.00 65.14 H new ATOM 0 HG3 MET A 41 -3.567 2.209 -4.006 1.00 65.14 H new ATOM 0 HE1 MET A 41 -6.969 1.961 -2.052 1.00 70.51 H new ATOM 0 HE2 MET A 41 -6.006 2.843 -3.262 1.00 70.51 H new ATOM 0 HE3 MET A 41 -6.741 1.277 -3.679 1.00 70.51 H new ATOM 599 N GLY A 42 -2.182 -1.503 -6.617 1.00 41.42 N ATOM 600 CA GLY A 42 -1.017 -2.354 -6.505 1.00 12.33 C ATOM 601 C GLY A 42 -1.169 -3.447 -5.468 1.00 14.35 C ATOM 602 O GLY A 42 -0.182 -3.970 -4.973 1.00 61.32 O ATOM 0 H GLY A 42 -2.962 -1.911 -7.133 1.00 41.42 H new ATOM 0 HA2 GLY A 42 -0.814 -2.809 -7.475 1.00 12.33 H new ATOM 0 HA3 GLY A 42 -0.151 -1.741 -6.252 1.00 12.33 H new ATOM 606 N LEU A 43 -2.399 -3.795 -5.135 1.00 53.13 N ATOM 607 CA LEU A 43 -2.635 -4.842 -4.150 1.00 74.43 C ATOM 608 C LEU A 43 -2.933 -6.162 -4.799 1.00 43.44 C ATOM 609 O LEU A 43 -2.224 -7.132 -4.608 1.00 32.13 O ATOM 610 CB LEU A 43 -3.794 -4.504 -3.196 1.00 10.10 C ATOM 611 CG LEU A 43 -3.504 -3.546 -2.023 1.00 52.41 C ATOM 612 CD1 LEU A 43 -3.132 -2.156 -2.494 1.00 23.50 C ATOM 613 CD2 LEU A 43 -4.687 -3.488 -1.083 1.00 52.01 C ATOM 0 H LEU A 43 -3.243 -3.375 -5.525 1.00 53.13 H new ATOM 0 HA LEU A 43 -1.710 -4.911 -3.578 1.00 74.43 H new ATOM 0 HB2 LEU A 43 -4.601 -4.073 -3.789 1.00 10.10 H new ATOM 0 HB3 LEU A 43 -4.169 -5.439 -2.780 1.00 10.10 H new ATOM 0 HG LEU A 43 -2.642 -3.945 -1.488 1.00 52.41 H new ATOM 0 HD11 LEU A 43 -2.937 -1.519 -1.631 1.00 23.50 H new ATOM 0 HD12 LEU A 43 -2.238 -2.209 -3.115 1.00 23.50 H new ATOM 0 HD13 LEU A 43 -3.953 -1.737 -3.076 1.00 23.50 H new ATOM 0 HD21 LEU A 43 -4.465 -2.807 -0.261 1.00 52.01 H new ATOM 0 HD22 LEU A 43 -5.564 -3.131 -1.623 1.00 52.01 H new ATOM 0 HD23 LEU A 43 -4.886 -4.484 -0.686 1.00 52.01 H new ATOM 625 N ILE A 44 -3.994 -6.194 -5.551 1.00 53.44 N ATOM 626 CA ILE A 44 -4.465 -7.439 -6.128 1.00 44.11 C ATOM 627 C ILE A 44 -4.343 -7.415 -7.652 1.00 33.20 C ATOM 628 O ILE A 44 -4.411 -6.346 -8.257 1.00 22.32 O ATOM 629 CB ILE A 44 -5.934 -7.701 -5.695 1.00 54.32 C ATOM 630 CG1 ILE A 44 -6.832 -6.531 -6.135 1.00 70.31 C ATOM 631 CG2 ILE A 44 -6.017 -7.932 -4.181 1.00 1.11 C ATOM 632 CD1 ILE A 44 -8.282 -6.642 -5.755 1.00 14.22 C ATOM 0 H ILE A 44 -4.557 -5.376 -5.785 1.00 53.44 H new ATOM 0 HA ILE A 44 -3.841 -8.253 -5.758 1.00 44.11 H new ATOM 0 HB ILE A 44 -6.292 -8.606 -6.186 1.00 54.32 H new ATOM 0 HG12 ILE A 44 -6.433 -5.611 -5.708 1.00 70.31 H new ATOM 0 HG13 ILE A 44 -6.766 -6.434 -7.219 1.00 70.31 H new ATOM 0 HG21 ILE A 44 -7.054 -8.114 -3.897 1.00 1.11 H new ATOM 0 HG22 ILE A 44 -5.410 -8.796 -3.911 1.00 1.11 H new ATOM 0 HG23 ILE A 44 -5.647 -7.051 -3.658 1.00 1.11 H new ATOM 0 HD11 ILE A 44 -8.820 -5.765 -6.114 1.00 14.22 H new ATOM 0 HD12 ILE A 44 -8.708 -7.539 -6.204 1.00 14.22 H new ATOM 0 HD13 ILE A 44 -8.370 -6.703 -4.670 1.00 14.22 H new ATOM 644 N ASP A 45 -4.153 -8.566 -8.258 1.00 2.44 N ATOM 645 CA ASP A 45 -3.998 -8.661 -9.706 1.00 34.32 C ATOM 646 C ASP A 45 -5.255 -9.236 -10.348 1.00 24.43 C ATOM 647 O ASP A 45 -5.794 -10.230 -9.920 1.00 33.41 O ATOM 648 CB ASP A 45 -2.789 -9.554 -10.070 1.00 34.04 C ATOM 649 CG ASP A 45 -2.986 -11.021 -9.692 1.00 44.22 C ATOM 650 OD1 ASP A 45 -2.854 -11.342 -8.496 1.00 24.45 O ATOM 651 OD2 ASP A 45 -3.282 -11.850 -10.596 1.00 62.30 O ATOM 0 H ASP A 45 -4.101 -9.461 -7.772 1.00 2.44 H new ATOM 0 HA ASP A 45 -3.829 -7.653 -10.086 1.00 34.32 H new ATOM 0 HB2 ASP A 45 -2.604 -9.484 -11.142 1.00 34.04 H new ATOM 0 HB3 ASP A 45 -1.900 -9.173 -9.567 1.00 34.04 H new ATOM 656 N ILE A 46 -5.695 -8.654 -11.419 1.00 22.22 N ATOM 657 CA ILE A 46 -6.869 -9.187 -12.117 1.00 64.33 C ATOM 658 C ILE A 46 -6.302 -10.092 -13.212 1.00 45.31 C ATOM 659 O ILE A 46 -6.895 -10.315 -14.275 1.00 63.14 O ATOM 660 CB ILE A 46 -7.737 -8.038 -12.748 1.00 43.12 C ATOM 661 CG1 ILE A 46 -7.999 -6.933 -11.712 1.00 45.03 C ATOM 662 CG2 ILE A 46 -9.087 -8.593 -13.236 1.00 62.24 C ATOM 663 CD1 ILE A 46 -8.787 -5.750 -12.254 1.00 21.32 C ATOM 0 H ILE A 46 -5.281 -7.822 -11.840 1.00 22.22 H new ATOM 0 HA ILE A 46 -7.529 -9.722 -11.434 1.00 64.33 H new ATOM 0 HB ILE A 46 -7.186 -7.623 -13.592 1.00 43.12 H new ATOM 0 HG12 ILE A 46 -8.541 -7.361 -10.869 1.00 45.03 H new ATOM 0 HG13 ILE A 46 -7.044 -6.575 -11.329 1.00 45.03 H new ATOM 0 HG21 ILE A 46 -9.677 -7.786 -13.670 1.00 62.24 H new ATOM 0 HG22 ILE A 46 -8.914 -9.361 -13.989 1.00 62.24 H new ATOM 0 HG23 ILE A 46 -9.628 -9.025 -12.394 1.00 62.24 H new ATOM 0 HD11 ILE A 46 -8.930 -5.015 -11.462 1.00 21.32 H new ATOM 0 HD12 ILE A 46 -8.238 -5.294 -13.078 1.00 21.32 H new ATOM 0 HD13 ILE A 46 -9.758 -6.093 -12.611 1.00 21.32 H new ATOM 675 N ASP A 47 -5.177 -10.657 -12.883 1.00 75.31 N ATOM 676 CA ASP A 47 -4.358 -11.359 -13.844 1.00 31.05 C ATOM 677 C ASP A 47 -4.535 -12.847 -13.757 1.00 14.24 C ATOM 678 O ASP A 47 -5.009 -13.484 -14.714 1.00 40.15 O ATOM 679 CB ASP A 47 -2.877 -10.952 -13.722 1.00 22.44 C ATOM 680 CG ASP A 47 -2.623 -9.495 -14.114 1.00 35.24 C ATOM 681 OD1 ASP A 47 -2.987 -8.570 -13.324 1.00 41.40 O ATOM 682 OD2 ASP A 47 -2.048 -9.263 -15.206 1.00 35.12 O ATOM 0 H ASP A 47 -4.795 -10.647 -11.937 1.00 75.31 H new ATOM 0 HA ASP A 47 -4.699 -11.061 -14.835 1.00 31.05 H new ATOM 0 HB2 ASP A 47 -2.546 -11.109 -12.695 1.00 22.44 H new ATOM 0 HB3 ASP A 47 -2.274 -11.603 -14.355 1.00 22.44 H new ATOM 687 N PHE A 48 -4.182 -13.439 -12.642 1.00 33.34 N ATOM 688 CA PHE A 48 -4.360 -14.855 -12.537 1.00 24.02 C ATOM 689 C PHE A 48 -5.561 -15.237 -11.696 1.00 24.41 C ATOM 690 O PHE A 48 -5.511 -15.291 -10.467 1.00 30.01 O ATOM 691 CB PHE A 48 -3.061 -15.634 -12.177 1.00 44.42 C ATOM 692 CG PHE A 48 -2.299 -15.152 -10.971 1.00 63.31 C ATOM 693 CD1 PHE A 48 -2.593 -15.628 -9.708 1.00 43.03 C ATOM 694 CD2 PHE A 48 -1.269 -14.241 -11.114 1.00 3.20 C ATOM 695 CE1 PHE A 48 -1.884 -15.202 -8.609 1.00 41.22 C ATOM 696 CE2 PHE A 48 -0.555 -13.806 -10.020 1.00 75.14 C ATOM 697 CZ PHE A 48 -0.862 -14.287 -8.763 1.00 4.41 C ATOM 0 H PHE A 48 -3.784 -12.977 -11.824 1.00 33.34 H new ATOM 0 HA PHE A 48 -4.595 -15.191 -13.547 1.00 24.02 H new ATOM 0 HB2 PHE A 48 -3.324 -16.680 -12.019 1.00 44.42 H new ATOM 0 HB3 PHE A 48 -2.393 -15.600 -13.038 1.00 44.42 H new ATOM 0 HD1 PHE A 48 -3.391 -16.345 -9.582 1.00 43.03 H new ATOM 0 HD2 PHE A 48 -1.021 -13.866 -12.096 1.00 3.20 H new ATOM 0 HE1 PHE A 48 -2.126 -15.583 -7.628 1.00 41.22 H new ATOM 0 HE2 PHE A 48 0.244 -13.090 -10.145 1.00 75.14 H new ATOM 0 HZ PHE A 48 -0.304 -13.948 -7.902 1.00 4.41 H new ATOM 707 N THR A 49 -6.636 -15.526 -12.389 1.00 20.20 N ATOM 708 CA THR A 49 -7.867 -15.931 -11.781 1.00 21.01 C ATOM 709 C THR A 49 -7.749 -17.364 -11.276 1.00 40.54 C ATOM 710 O THR A 49 -7.525 -18.305 -12.063 1.00 52.30 O ATOM 711 CB THR A 49 -9.015 -15.813 -12.795 1.00 22.41 C ATOM 712 OG1 THR A 49 -8.634 -16.494 -14.010 1.00 60.21 O ATOM 713 CG2 THR A 49 -9.318 -14.351 -13.103 1.00 50.15 C ATOM 0 H THR A 49 -6.674 -15.484 -13.407 1.00 20.20 H new ATOM 0 HA THR A 49 -8.081 -15.279 -10.934 1.00 21.01 H new ATOM 0 HB THR A 49 -9.912 -16.266 -12.372 1.00 22.41 H new ATOM 0 HG1 THR A 49 -8.228 -17.358 -13.787 1.00 60.21 H new ATOM 0 HG21 THR A 49 -10.134 -14.292 -13.823 1.00 50.15 H new ATOM 0 HG22 THR A 49 -9.606 -13.838 -12.185 1.00 50.15 H new ATOM 0 HG23 THR A 49 -8.431 -13.876 -13.521 1.00 50.15 H new ATOM 721 N GLY A 50 -7.863 -17.511 -9.998 1.00 72.14 N ATOM 722 CA GLY A 50 -7.723 -18.771 -9.346 1.00 12.45 C ATOM 723 C GLY A 50 -6.711 -18.662 -8.234 1.00 51.54 C ATOM 724 O GLY A 50 -6.513 -19.598 -7.463 1.00 11.21 O ATOM 0 H GLY A 50 -8.061 -16.739 -9.362 1.00 72.14 H new ATOM 0 HA2 GLY A 50 -8.684 -19.092 -8.945 1.00 12.45 H new ATOM 0 HA3 GLY A 50 -7.408 -19.529 -10.063 1.00 12.45 H new ATOM 728 N GLY A 51 -6.066 -17.511 -8.165 1.00 65.21 N ATOM 729 CA GLY A 51 -5.062 -17.275 -7.170 1.00 64.22 C ATOM 730 C GLY A 51 -5.492 -16.258 -6.139 1.00 32.20 C ATOM 731 O GLY A 51 -6.237 -16.578 -5.188 1.00 23.14 O ATOM 0 H GLY A 51 -6.229 -16.726 -8.796 1.00 65.21 H new ATOM 0 HA2 GLY A 51 -4.823 -18.214 -6.671 1.00 64.22 H new ATOM 0 HA3 GLY A 51 -4.149 -16.931 -7.655 1.00 64.22 H new ATOM 735 N GLU A 52 -5.114 -15.011 -6.374 1.00 21.23 N ATOM 736 CA GLU A 52 -5.321 -13.939 -5.410 1.00 74.13 C ATOM 737 C GLU A 52 -6.757 -13.401 -5.398 1.00 61.32 C ATOM 738 O GLU A 52 -7.063 -12.402 -4.727 1.00 72.33 O ATOM 739 CB GLU A 52 -4.284 -12.826 -5.587 1.00 42.12 C ATOM 740 CG GLU A 52 -2.843 -13.299 -5.357 1.00 71.23 C ATOM 741 CD GLU A 52 -2.630 -13.919 -3.979 1.00 52.11 C ATOM 742 OE1 GLU A 52 -2.914 -15.120 -3.809 1.00 30.12 O ATOM 743 OE2 GLU A 52 -2.190 -13.204 -3.050 1.00 1.42 O ATOM 0 H GLU A 52 -4.656 -14.713 -7.235 1.00 21.23 H new ATOM 0 HA GLU A 52 -5.171 -14.377 -4.423 1.00 74.13 H new ATOM 0 HB2 GLU A 52 -4.369 -12.416 -6.594 1.00 42.12 H new ATOM 0 HB3 GLU A 52 -4.508 -12.016 -4.893 1.00 42.12 H new ATOM 0 HG2 GLU A 52 -2.580 -14.029 -6.122 1.00 71.23 H new ATOM 0 HG3 GLU A 52 -2.166 -12.453 -5.477 1.00 71.23 H new ATOM 750 N ASP A 53 -7.637 -14.088 -6.097 1.00 54.14 N ATOM 751 CA ASP A 53 -9.077 -13.814 -6.079 1.00 31.22 C ATOM 752 C ASP A 53 -9.552 -14.025 -4.659 1.00 43.12 C ATOM 753 O ASP A 53 -10.286 -13.221 -4.091 1.00 45.14 O ATOM 754 CB ASP A 53 -9.833 -14.826 -6.958 1.00 24.24 C ATOM 755 CG ASP A 53 -9.250 -14.998 -8.330 1.00 45.24 C ATOM 756 OD1 ASP A 53 -8.101 -15.478 -8.414 1.00 12.43 O ATOM 757 OD2 ASP A 53 -9.917 -14.696 -9.320 1.00 63.33 O ATOM 0 H ASP A 53 -7.378 -14.865 -6.705 1.00 54.14 H new ATOM 0 HA ASP A 53 -9.259 -12.803 -6.444 1.00 31.22 H new ATOM 0 HB2 ASP A 53 -9.843 -15.793 -6.455 1.00 24.24 H new ATOM 0 HB3 ASP A 53 -10.871 -14.506 -7.053 1.00 24.24 H new ATOM 762 N ALA A 54 -9.067 -15.107 -4.062 1.00 33.23 N ATOM 763 CA ALA A 54 -9.439 -15.452 -2.709 1.00 62.10 C ATOM 764 C ALA A 54 -8.717 -14.570 -1.715 1.00 33.22 C ATOM 765 O ALA A 54 -9.219 -14.329 -0.625 1.00 44.42 O ATOM 766 CB ALA A 54 -9.177 -16.910 -2.422 1.00 70.10 C ATOM 0 H ALA A 54 -8.415 -15.757 -4.500 1.00 33.23 H new ATOM 0 HA ALA A 54 -10.511 -15.282 -2.604 1.00 62.10 H new ATOM 0 HB1 ALA A 54 -9.468 -17.137 -1.396 1.00 70.10 H new ATOM 0 HB2 ALA A 54 -9.758 -17.526 -3.108 1.00 70.10 H new ATOM 0 HB3 ALA A 54 -8.116 -17.122 -2.554 1.00 70.10 H new ATOM 772 N GLN A 55 -7.534 -14.093 -2.101 1.00 64.32 N ATOM 773 CA GLN A 55 -6.770 -13.147 -1.288 1.00 11.55 C ATOM 774 C GLN A 55 -7.631 -11.907 -1.134 1.00 50.34 C ATOM 775 O GLN A 55 -7.880 -11.431 -0.027 1.00 53.43 O ATOM 776 CB GLN A 55 -5.483 -12.772 -2.012 1.00 12.32 C ATOM 777 CG GLN A 55 -4.513 -11.920 -1.218 1.00 51.21 C ATOM 778 CD GLN A 55 -3.871 -12.691 -0.095 1.00 15.11 C ATOM 779 OE1 GLN A 55 -4.360 -12.707 1.038 1.00 75.32 O ATOM 780 NE2 GLN A 55 -2.803 -13.367 -0.409 1.00 63.54 N ATOM 0 H GLN A 55 -7.081 -14.349 -2.978 1.00 64.32 H new ATOM 0 HA GLN A 55 -6.515 -13.580 -0.321 1.00 11.55 H new ATOM 0 HB2 GLN A 55 -4.974 -13.689 -2.311 1.00 12.32 H new ATOM 0 HB3 GLN A 55 -5.743 -12.239 -2.927 1.00 12.32 H new ATOM 0 HG2 GLN A 55 -3.739 -11.537 -1.883 1.00 51.21 H new ATOM 0 HG3 GLN A 55 -5.039 -11.057 -0.810 1.00 51.21 H new ATOM 0 HE21 GLN A 55 -2.433 -13.324 -1.359 1.00 63.54 H new ATOM 0 HE22 GLN A 55 -2.336 -13.939 0.295 1.00 63.54 H new ATOM 789 N TYR A 56 -8.116 -11.429 -2.283 1.00 71.22 N ATOM 790 CA TYR A 56 -9.045 -10.324 -2.372 1.00 33.02 C ATOM 791 C TYR A 56 -10.227 -10.588 -1.486 1.00 53.22 C ATOM 792 O TYR A 56 -10.488 -9.806 -0.586 1.00 61.03 O ATOM 793 CB TYR A 56 -9.491 -10.153 -3.845 1.00 3.04 C ATOM 794 CG TYR A 56 -10.650 -9.178 -4.185 1.00 20.32 C ATOM 795 CD1 TYR A 56 -11.526 -8.591 -3.224 1.00 22.22 C ATOM 796 CD2 TYR A 56 -10.873 -8.873 -5.513 1.00 54.21 C ATOM 797 CE1 TYR A 56 -12.544 -7.757 -3.626 1.00 13.30 C ATOM 798 CE2 TYR A 56 -11.884 -8.040 -5.899 1.00 72.21 C ATOM 799 CZ TYR A 56 -12.712 -7.487 -4.965 1.00 3.45 C ATOM 800 OH TYR A 56 -13.726 -6.678 -5.375 1.00 61.30 O ATOM 0 H TYR A 56 -7.861 -11.816 -3.192 1.00 71.22 H new ATOM 0 HA TYR A 56 -8.564 -9.404 -2.040 1.00 33.02 H new ATOM 0 HB2 TYR A 56 -8.618 -9.835 -4.415 1.00 3.04 H new ATOM 0 HB3 TYR A 56 -9.773 -11.138 -4.217 1.00 3.04 H new ATOM 0 HD1 TYR A 56 -11.389 -8.803 -2.174 1.00 22.22 H new ATOM 0 HD2 TYR A 56 -10.231 -9.305 -6.266 1.00 54.21 H new ATOM 0 HE1 TYR A 56 -13.207 -7.317 -2.896 1.00 13.30 H new ATOM 0 HE2 TYR A 56 -12.029 -7.818 -6.946 1.00 72.21 H new ATOM 0 HH TYR A 56 -13.425 -5.746 -5.366 1.00 61.30 H new ATOM 810 N ASP A 57 -10.945 -11.669 -1.741 1.00 61.21 N ATOM 811 CA ASP A 57 -12.142 -11.949 -0.975 1.00 25.41 C ATOM 812 C ASP A 57 -11.926 -12.086 0.502 1.00 14.23 C ATOM 813 O ASP A 57 -12.776 -11.714 1.254 1.00 25.31 O ATOM 814 CB ASP A 57 -13.061 -13.022 -1.565 1.00 24.21 C ATOM 815 CG ASP A 57 -14.174 -12.394 -2.400 1.00 64.41 C ATOM 816 OD1 ASP A 57 -15.209 -11.958 -1.828 1.00 40.21 O ATOM 817 OD2 ASP A 57 -14.044 -12.275 -3.641 1.00 41.33 O ATOM 0 H ASP A 57 -10.723 -12.356 -2.461 1.00 61.21 H new ATOM 0 HA ASP A 57 -12.712 -11.027 -1.085 1.00 25.41 H new ATOM 0 HB2 ASP A 57 -12.478 -13.704 -2.184 1.00 24.21 H new ATOM 0 HB3 ASP A 57 -13.496 -13.615 -0.761 1.00 24.21 H new ATOM 822 N ALA A 58 -10.766 -12.552 0.920 1.00 43.05 N ATOM 823 CA ALA A 58 -10.449 -12.616 2.341 1.00 12.42 C ATOM 824 C ALA A 58 -10.269 -11.200 2.916 1.00 21.04 C ATOM 825 O ALA A 58 -10.796 -10.876 3.987 1.00 74.24 O ATOM 826 CB ALA A 58 -9.206 -13.455 2.582 1.00 71.15 C ATOM 0 H ALA A 58 -10.028 -12.891 0.303 1.00 43.05 H new ATOM 0 HA ALA A 58 -11.283 -13.094 2.855 1.00 12.42 H new ATOM 0 HB1 ALA A 58 -8.990 -13.487 3.650 1.00 71.15 H new ATOM 0 HB2 ALA A 58 -9.374 -14.468 2.215 1.00 71.15 H new ATOM 0 HB3 ALA A 58 -8.361 -13.013 2.054 1.00 71.15 H new ATOM 832 N ILE A 59 -9.542 -10.359 2.183 1.00 22.02 N ATOM 833 CA ILE A 59 -9.310 -8.960 2.566 1.00 22.15 C ATOM 834 C ILE A 59 -10.643 -8.202 2.594 1.00 3.41 C ATOM 835 O ILE A 59 -10.974 -7.485 3.568 1.00 25.11 O ATOM 836 CB ILE A 59 -8.356 -8.252 1.545 1.00 11.24 C ATOM 837 CG1 ILE A 59 -6.970 -8.917 1.524 1.00 73.22 C ATOM 838 CG2 ILE A 59 -8.227 -6.761 1.851 1.00 71.23 C ATOM 839 CD1 ILE A 59 -6.040 -8.366 0.450 1.00 24.00 C ATOM 0 H ILE A 59 -9.095 -10.625 1.305 1.00 22.02 H new ATOM 0 HA ILE A 59 -8.848 -8.953 3.553 1.00 22.15 H new ATOM 0 HB ILE A 59 -8.801 -8.360 0.556 1.00 11.24 H new ATOM 0 HG12 ILE A 59 -6.500 -8.788 2.499 1.00 73.22 H new ATOM 0 HG13 ILE A 59 -7.094 -9.989 1.369 1.00 73.22 H new ATOM 0 HG21 ILE A 59 -7.559 -6.297 1.126 1.00 71.23 H new ATOM 0 HG22 ILE A 59 -9.209 -6.291 1.792 1.00 71.23 H new ATOM 0 HG23 ILE A 59 -7.821 -6.629 2.854 1.00 71.23 H new ATOM 0 HD11 ILE A 59 -5.082 -8.884 0.498 1.00 24.00 H new ATOM 0 HD12 ILE A 59 -6.487 -8.519 -0.532 1.00 24.00 H new ATOM 0 HD13 ILE A 59 -5.885 -7.300 0.615 1.00 24.00 H new ATOM 851 N TYR A 60 -11.407 -8.388 1.539 1.00 30.23 N ATOM 852 CA TYR A 60 -12.670 -7.730 1.372 1.00 62.13 C ATOM 853 C TYR A 60 -13.638 -8.214 2.414 1.00 0.24 C ATOM 854 O TYR A 60 -14.351 -7.425 3.005 1.00 3.04 O ATOM 855 CB TYR A 60 -13.219 -7.950 -0.029 1.00 35.35 C ATOM 856 CG TYR A 60 -14.460 -7.151 -0.306 1.00 72.12 C ATOM 857 CD1 TYR A 60 -14.377 -5.788 -0.532 1.00 44.55 C ATOM 858 CD2 TYR A 60 -15.711 -7.749 -0.326 1.00 41.32 C ATOM 859 CE1 TYR A 60 -15.501 -5.041 -0.774 1.00 54.32 C ATOM 860 CE2 TYR A 60 -16.841 -7.006 -0.567 1.00 1.23 C ATOM 861 CZ TYR A 60 -16.728 -5.653 -0.791 1.00 43.00 C ATOM 862 OH TYR A 60 -17.845 -4.912 -1.033 1.00 43.31 O ATOM 0 H TYR A 60 -11.159 -9.009 0.769 1.00 30.23 H new ATOM 0 HA TYR A 60 -12.526 -6.657 1.501 1.00 62.13 H new ATOM 0 HB2 TYR A 60 -12.453 -7.686 -0.759 1.00 35.35 H new ATOM 0 HB3 TYR A 60 -13.438 -9.009 -0.165 1.00 35.35 H new ATOM 0 HD1 TYR A 60 -13.411 -5.305 -0.517 1.00 44.55 H new ATOM 0 HD2 TYR A 60 -15.798 -8.811 -0.150 1.00 41.32 H new ATOM 0 HE1 TYR A 60 -15.421 -3.978 -0.950 1.00 54.32 H new ATOM 0 HE2 TYR A 60 -17.811 -7.480 -0.581 1.00 1.23 H new ATOM 0 HH TYR A 60 -17.616 -4.155 -1.612 1.00 43.31 H new ATOM 872 N ASN A 61 -13.635 -9.508 2.632 1.00 13.20 N ATOM 873 CA ASN A 61 -14.448 -10.139 3.720 1.00 23.30 C ATOM 874 C ASN A 61 -14.170 -9.455 5.059 1.00 30.41 C ATOM 875 O ASN A 61 -15.076 -9.200 5.834 1.00 32.44 O ATOM 876 CB ASN A 61 -14.127 -11.644 3.863 1.00 70.23 C ATOM 877 CG ASN A 61 -14.927 -12.348 4.959 1.00 62.40 C ATOM 878 OD1 ASN A 61 -16.013 -12.850 4.725 1.00 31.54 O ATOM 879 ND2 ASN A 61 -14.374 -12.419 6.153 1.00 2.24 N ATOM 0 H ASN A 61 -13.087 -10.171 2.084 1.00 13.20 H new ATOM 0 HA ASN A 61 -15.497 -10.021 3.448 1.00 23.30 H new ATOM 0 HB2 ASN A 61 -14.321 -12.139 2.911 1.00 70.23 H new ATOM 0 HB3 ASN A 61 -13.064 -11.760 4.072 1.00 70.23 H new ATOM 0 HD21 ASN A 61 -14.856 -12.903 6.910 1.00 2.24 H new ATOM 0 HD22 ASN A 61 -13.464 -11.990 6.320 1.00 2.24 H new ATOM 886 N ASN A 62 -12.899 -9.162 5.309 1.00 72.32 N ATOM 887 CA ASN A 62 -12.480 -8.498 6.541 1.00 33.11 C ATOM 888 C ASN A 62 -13.052 -7.079 6.613 1.00 72.50 C ATOM 889 O ASN A 62 -13.535 -6.652 7.657 1.00 31.00 O ATOM 890 CB ASN A 62 -10.944 -8.468 6.653 1.00 33.42 C ATOM 891 CG ASN A 62 -10.445 -7.861 7.962 1.00 13.44 C ATOM 892 OD1 ASN A 62 -10.269 -8.557 8.948 1.00 34.22 O ATOM 893 ND2 ASN A 62 -10.187 -6.572 7.969 1.00 24.03 N ATOM 0 H ASN A 62 -12.134 -9.376 4.669 1.00 72.32 H new ATOM 0 HA ASN A 62 -12.872 -9.069 7.382 1.00 33.11 H new ATOM 0 HB2 ASN A 62 -10.560 -9.484 6.562 1.00 33.42 H new ATOM 0 HB3 ASN A 62 -10.537 -7.898 5.818 1.00 33.42 H new ATOM 0 HD21 ASN A 62 -9.829 -6.128 8.815 1.00 24.03 H new ATOM 0 HD22 ASN A 62 -10.344 -6.016 7.129 1.00 24.03 H new ATOM 900 N VAL A 63 -12.984 -6.341 5.503 1.00 24.50 N ATOM 901 CA VAL A 63 -13.574 -4.999 5.478 1.00 13.02 C ATOM 902 C VAL A 63 -15.120 -5.011 5.542 1.00 64.12 C ATOM 903 O VAL A 63 -15.730 -4.222 6.290 1.00 22.32 O ATOM 904 CB VAL A 63 -12.995 -4.031 4.354 1.00 32.32 C ATOM 905 CG1 VAL A 63 -12.659 -4.752 3.087 1.00 62.34 C ATOM 906 CG2 VAL A 63 -13.965 -2.909 4.026 1.00 11.34 C ATOM 0 H VAL A 63 -12.541 -6.637 4.633 1.00 24.50 H new ATOM 0 HA VAL A 63 -13.238 -4.545 6.410 1.00 13.02 H new ATOM 0 HB VAL A 63 -12.079 -3.617 4.775 1.00 32.32 H new ATOM 0 HG11 VAL A 63 -12.269 -4.043 2.357 1.00 62.34 H new ATOM 0 HG12 VAL A 63 -11.907 -5.514 3.291 1.00 62.34 H new ATOM 0 HG13 VAL A 63 -13.556 -5.226 2.689 1.00 62.34 H new ATOM 0 HG21 VAL A 63 -13.535 -2.270 3.255 1.00 11.34 H new ATOM 0 HG22 VAL A 63 -14.902 -3.332 3.665 1.00 11.34 H new ATOM 0 HG23 VAL A 63 -14.155 -2.319 4.922 1.00 11.34 H new ATOM 916 N THR A 64 -15.756 -5.878 4.800 1.00 43.41 N ATOM 917 CA THR A 64 -17.185 -5.966 4.870 1.00 54.13 C ATOM 918 C THR A 64 -17.632 -6.970 5.921 1.00 75.13 C ATOM 919 O THR A 64 -17.972 -8.112 5.629 1.00 11.21 O ATOM 920 CB THR A 64 -17.834 -6.197 3.501 1.00 20.40 C ATOM 921 OG1 THR A 64 -17.205 -7.295 2.831 1.00 4.13 O ATOM 922 CG2 THR A 64 -17.708 -4.943 2.665 1.00 61.35 C ATOM 0 H THR A 64 -15.312 -6.525 4.149 1.00 43.41 H new ATOM 0 HA THR A 64 -17.548 -4.992 5.196 1.00 54.13 H new ATOM 0 HB THR A 64 -18.888 -6.434 3.643 1.00 20.40 H new ATOM 0 HG1 THR A 64 -17.126 -7.093 1.875 1.00 4.13 H new ATOM 0 HG21 THR A 64 -18.169 -5.107 1.691 1.00 61.35 H new ATOM 0 HG22 THR A 64 -18.209 -4.117 3.170 1.00 61.35 H new ATOM 0 HG23 THR A 64 -16.654 -4.700 2.531 1.00 61.35 H new ATOM 930 N LYS A 65 -17.590 -6.510 7.145 1.00 40.45 N ATOM 931 CA LYS A 65 -17.880 -7.287 8.348 1.00 53.33 C ATOM 932 C LYS A 65 -19.383 -7.454 8.635 1.00 60.22 C ATOM 933 O LYS A 65 -19.803 -7.491 9.793 1.00 61.32 O ATOM 934 CB LYS A 65 -17.115 -6.675 9.558 1.00 65.13 C ATOM 935 CG LYS A 65 -16.988 -5.133 9.557 1.00 61.42 C ATOM 936 CD LYS A 65 -18.321 -4.399 9.666 1.00 40.03 C ATOM 937 CE LYS A 65 -18.130 -2.918 9.379 1.00 22.52 C ATOM 938 NZ LYS A 65 -19.376 -2.133 9.533 1.00 42.21 N ATOM 0 H LYS A 65 -17.343 -5.542 7.352 1.00 40.45 H new ATOM 0 HA LYS A 65 -17.524 -8.302 8.173 1.00 53.33 H new ATOM 0 HB2 LYS A 65 -17.619 -6.980 10.475 1.00 65.13 H new ATOM 0 HB3 LYS A 65 -16.113 -7.104 9.587 1.00 65.13 H new ATOM 0 HG2 LYS A 65 -16.350 -4.831 10.388 1.00 61.42 H new ATOM 0 HG3 LYS A 65 -16.487 -4.821 8.641 1.00 61.42 H new ATOM 0 HD2 LYS A 65 -19.037 -4.824 8.962 1.00 40.03 H new ATOM 0 HD3 LYS A 65 -18.737 -4.533 10.664 1.00 40.03 H new ATOM 0 HE2 LYS A 65 -17.370 -2.519 10.051 1.00 22.52 H new ATOM 0 HE3 LYS A 65 -17.754 -2.796 8.363 1.00 22.52 H new ATOM 0 HZ1 LYS A 65 -19.356 -1.319 8.885 1.00 42.21 H new ATOM 0 HZ2 LYS A 65 -20.195 -2.734 9.309 1.00 42.21 H new ATOM 0 HZ3 LYS A 65 -19.454 -1.794 10.513 1.00 42.21 H new ATOM 952 N GLY A 66 -20.155 -7.623 7.595 1.00 1.41 N ATOM 953 CA GLY A 66 -21.574 -7.829 7.742 1.00 75.14 C ATOM 954 C GLY A 66 -22.329 -7.203 6.614 1.00 45.34 C ATOM 955 O GLY A 66 -23.379 -7.694 6.200 1.00 63.33 O ATOM 0 H GLY A 66 -19.824 -7.622 6.630 1.00 1.41 H new ATOM 0 HA2 GLY A 66 -21.788 -8.897 7.778 1.00 75.14 H new ATOM 0 HA3 GLY A 66 -21.910 -7.405 8.688 1.00 75.14 H new ATOM 959 N GLU A 67 -21.788 -6.136 6.100 1.00 52.20 N ATOM 960 CA GLU A 67 -22.370 -5.453 4.983 1.00 64.04 C ATOM 961 C GLU A 67 -21.677 -5.940 3.730 1.00 11.43 C ATOM 962 O GLU A 67 -20.795 -6.799 3.787 1.00 22.13 O ATOM 963 CB GLU A 67 -22.169 -3.917 5.071 1.00 63.45 C ATOM 964 CG GLU A 67 -22.463 -3.266 6.422 1.00 44.43 C ATOM 965 CD GLU A 67 -21.372 -3.518 7.448 1.00 11.12 C ATOM 966 OE1 GLU A 67 -20.269 -4.004 7.071 1.00 74.12 O ATOM 967 OE2 GLU A 67 -21.574 -3.225 8.629 1.00 32.21 O ATOM 0 H GLU A 67 -20.926 -5.714 6.446 1.00 52.20 H new ATOM 0 HA GLU A 67 -23.440 -5.659 4.975 1.00 64.04 H new ATOM 0 HB2 GLU A 67 -21.137 -3.692 4.802 1.00 63.45 H new ATOM 0 HB3 GLU A 67 -22.804 -3.446 4.320 1.00 63.45 H new ATOM 0 HG2 GLU A 67 -22.584 -2.192 6.284 1.00 44.43 H new ATOM 0 HG3 GLU A 67 -23.410 -3.646 6.805 1.00 44.43 H new ATOM 974 N ASN A 68 -22.073 -5.413 2.620 1.00 73.15 N ATOM 975 CA ASN A 68 -21.403 -5.662 1.385 1.00 3.35 C ATOM 976 C ASN A 68 -21.303 -4.338 0.706 1.00 51.44 C ATOM 977 O ASN A 68 -22.307 -3.632 0.577 1.00 21.42 O ATOM 978 CB ASN A 68 -22.138 -6.684 0.513 1.00 24.30 C ATOM 979 CG ASN A 68 -21.304 -7.110 -0.691 1.00 61.12 C ATOM 980 OD1 ASN A 68 -21.388 -6.540 -1.766 1.00 71.34 O ATOM 981 ND2 ASN A 68 -20.473 -8.109 -0.503 1.00 11.14 N ATOM 0 H ASN A 68 -22.878 -4.791 2.542 1.00 73.15 H new ATOM 0 HA ASN A 68 -20.421 -6.101 1.562 1.00 3.35 H new ATOM 0 HB2 ASN A 68 -22.385 -7.561 1.112 1.00 24.30 H new ATOM 0 HB3 ASN A 68 -23.080 -6.257 0.169 1.00 24.30 H new ATOM 0 HD21 ASN A 68 -19.876 -8.427 -1.267 1.00 11.14 H new ATOM 0 HD22 ASN A 68 -20.424 -8.567 0.407 1.00 11.14 H new ATOM 988 N GLY A 69 -20.123 -3.971 0.328 1.00 10.02 N ATOM 989 CA GLY A 69 -19.893 -2.675 -0.192 1.00 44.32 C ATOM 990 C GLY A 69 -19.083 -1.932 0.795 1.00 12.25 C ATOM 991 O GLY A 69 -19.346 -1.991 2.003 1.00 44.45 O ATOM 0 H GLY A 69 -19.295 -4.565 0.373 1.00 10.02 H new ATOM 0 HA2 GLY A 69 -19.372 -2.733 -1.148 1.00 44.32 H new ATOM 0 HA3 GLY A 69 -20.838 -2.163 -0.374 1.00 44.32 H new ATOM 995 N VAL A 70 -18.092 -1.266 0.335 1.00 43.24 N ATOM 996 CA VAL A 70 -17.254 -0.539 1.217 1.00 11.02 C ATOM 997 C VAL A 70 -17.899 0.780 1.493 1.00 13.33 C ATOM 998 O VAL A 70 -17.832 1.728 0.711 1.00 24.44 O ATOM 999 CB VAL A 70 -15.804 -0.415 0.703 1.00 11.15 C ATOM 1000 CG1 VAL A 70 -15.038 -1.651 1.042 1.00 31.13 C ATOM 1001 CG2 VAL A 70 -15.807 -0.293 -0.763 1.00 62.32 C ATOM 0 H VAL A 70 -17.838 -1.207 -0.651 1.00 43.24 H new ATOM 0 HA VAL A 70 -17.152 -1.087 2.154 1.00 11.02 H new ATOM 0 HB VAL A 70 -15.349 0.461 1.166 1.00 11.15 H new ATOM 0 HG11 VAL A 70 -14.015 -1.557 0.676 1.00 31.13 H new ATOM 0 HG12 VAL A 70 -15.026 -1.786 2.123 1.00 31.13 H new ATOM 0 HG13 VAL A 70 -15.513 -2.513 0.574 1.00 31.13 H new ATOM 0 HG21 VAL A 70 -14.782 -0.206 -1.123 1.00 62.32 H new ATOM 0 HG22 VAL A 70 -16.271 -1.177 -1.201 1.00 62.32 H new ATOM 0 HG23 VAL A 70 -16.370 0.594 -1.053 1.00 62.32 H new ATOM 1011 N SER A 71 -18.556 0.792 2.595 1.00 50.22 N ATOM 1012 CA SER A 71 -19.364 1.853 3.018 1.00 23.21 C ATOM 1013 C SER A 71 -18.619 2.736 4.015 1.00 11.21 C ATOM 1014 O SER A 71 -17.412 2.589 4.179 1.00 45.21 O ATOM 1015 CB SER A 71 -20.640 1.241 3.577 1.00 73.23 C ATOM 1016 OG SER A 71 -21.623 2.217 3.914 1.00 12.23 O ATOM 0 H SER A 71 -18.537 0.014 3.255 1.00 50.22 H new ATOM 0 HA SER A 71 -19.624 2.519 2.195 1.00 23.21 H new ATOM 0 HB2 SER A 71 -21.057 0.551 2.844 1.00 73.23 H new ATOM 0 HB3 SER A 71 -20.398 0.656 4.464 1.00 73.23 H new ATOM 0 HG SER A 71 -22.421 1.770 4.266 1.00 12.23 H new ATOM 1022 N PHE A 72 -19.361 3.637 4.650 1.00 10.01 N ATOM 1023 CA PHE A 72 -18.851 4.682 5.543 1.00 41.00 C ATOM 1024 C PHE A 72 -17.758 4.196 6.486 1.00 13.52 C ATOM 1025 O PHE A 72 -16.613 4.641 6.386 1.00 74.40 O ATOM 1026 CB PHE A 72 -20.000 5.315 6.340 1.00 21.24 C ATOM 1027 CG PHE A 72 -21.081 5.911 5.478 1.00 14.12 C ATOM 1028 CD1 PHE A 72 -20.897 7.136 4.856 1.00 64.32 C ATOM 1029 CD2 PHE A 72 -22.281 5.241 5.283 1.00 4.41 C ATOM 1030 CE1 PHE A 72 -21.886 7.681 4.058 1.00 63.13 C ATOM 1031 CE2 PHE A 72 -23.272 5.780 4.487 1.00 21.11 C ATOM 1032 CZ PHE A 72 -23.075 7.001 3.873 1.00 34.22 C ATOM 0 H PHE A 72 -20.376 3.664 4.555 1.00 10.01 H new ATOM 0 HA PHE A 72 -18.391 5.433 4.901 1.00 41.00 H new ATOM 0 HB2 PHE A 72 -20.441 4.557 6.988 1.00 21.24 H new ATOM 0 HB3 PHE A 72 -19.595 6.092 6.988 1.00 21.24 H new ATOM 0 HD1 PHE A 72 -19.970 7.671 4.996 1.00 64.32 H new ATOM 0 HD2 PHE A 72 -22.442 4.286 5.760 1.00 4.41 H new ATOM 0 HE1 PHE A 72 -21.730 8.637 3.580 1.00 63.13 H new ATOM 0 HE2 PHE A 72 -24.201 5.247 4.345 1.00 21.11 H new ATOM 0 HZ PHE A 72 -23.849 7.424 3.249 1.00 34.22 H new ATOM 1042 N ASP A 73 -18.083 3.273 7.376 1.00 52.42 N ATOM 1043 CA ASP A 73 -17.079 2.812 8.311 1.00 42.30 C ATOM 1044 C ASP A 73 -16.176 1.793 7.642 1.00 1.21 C ATOM 1045 O ASP A 73 -14.983 1.858 7.798 1.00 3.11 O ATOM 1046 CB ASP A 73 -17.678 2.248 9.628 1.00 64.23 C ATOM 1047 CG ASP A 73 -18.109 0.797 9.547 1.00 12.21 C ATOM 1048 OD1 ASP A 73 -19.135 0.499 8.915 1.00 62.42 O ATOM 1049 OD2 ASP A 73 -17.418 -0.068 10.111 1.00 54.42 O ATOM 0 H ASP A 73 -19.003 2.842 7.468 1.00 52.42 H new ATOM 0 HA ASP A 73 -16.491 3.682 8.601 1.00 42.30 H new ATOM 0 HB2 ASP A 73 -16.939 2.351 10.423 1.00 64.23 H new ATOM 0 HB3 ASP A 73 -18.538 2.855 9.911 1.00 64.23 H new ATOM 1054 N ASN A 74 -16.769 0.900 6.840 1.00 43.22 N ATOM 1055 CA ASN A 74 -16.044 -0.197 6.150 1.00 41.42 C ATOM 1056 C ASN A 74 -14.828 0.307 5.409 1.00 61.41 C ATOM 1057 O ASN A 74 -13.707 -0.117 5.678 1.00 25.25 O ATOM 1058 CB ASN A 74 -16.936 -0.899 5.109 1.00 53.15 C ATOM 1059 CG ASN A 74 -18.193 -1.517 5.656 1.00 41.43 C ATOM 1060 OD1 ASN A 74 -19.224 -0.867 5.699 1.00 33.44 O ATOM 1061 ND2 ASN A 74 -18.122 -2.755 6.062 1.00 34.44 N ATOM 0 H ASN A 74 -17.770 0.910 6.644 1.00 43.22 H new ATOM 0 HA ASN A 74 -15.749 -0.890 6.938 1.00 41.42 H new ATOM 0 HB2 ASN A 74 -17.210 -0.175 4.342 1.00 53.15 H new ATOM 0 HB3 ASN A 74 -16.351 -1.677 4.619 1.00 53.15 H new ATOM 0 HD21 ASN A 74 -18.951 -3.218 6.434 1.00 34.44 H new ATOM 0 HD22 ASN A 74 -17.237 -3.260 6.007 1.00 34.44 H new ATOM 1068 N TYR A 75 -15.057 1.221 4.485 1.00 31.41 N ATOM 1069 CA TYR A 75 -14.022 1.704 3.614 1.00 4.04 C ATOM 1070 C TYR A 75 -12.978 2.439 4.425 1.00 34.31 C ATOM 1071 O TYR A 75 -11.805 2.074 4.418 1.00 21.14 O ATOM 1072 CB TYR A 75 -14.605 2.646 2.533 1.00 4.42 C ATOM 1073 CG TYR A 75 -13.633 2.960 1.406 1.00 53.04 C ATOM 1074 CD1 TYR A 75 -12.491 3.690 1.638 1.00 41.41 C ATOM 1075 CD2 TYR A 75 -13.858 2.505 0.119 1.00 42.32 C ATOM 1076 CE1 TYR A 75 -11.599 3.957 0.649 1.00 32.32 C ATOM 1077 CE2 TYR A 75 -12.967 2.774 -0.893 1.00 23.43 C ATOM 1078 CZ TYR A 75 -11.833 3.500 -0.622 1.00 71.31 C ATOM 1079 OH TYR A 75 -10.922 3.754 -1.622 1.00 43.51 O ATOM 0 H TYR A 75 -15.970 1.645 4.323 1.00 31.41 H new ATOM 0 HA TYR A 75 -13.564 0.851 3.114 1.00 4.04 H new ATOM 0 HB2 TYR A 75 -15.501 2.190 2.112 1.00 4.42 H new ATOM 0 HB3 TYR A 75 -14.914 3.579 3.005 1.00 4.42 H new ATOM 0 HD1 TYR A 75 -12.298 4.061 2.634 1.00 41.41 H new ATOM 0 HD2 TYR A 75 -14.747 1.930 -0.094 1.00 42.32 H new ATOM 0 HE1 TYR A 75 -10.708 4.528 0.863 1.00 32.32 H new ATOM 0 HE2 TYR A 75 -13.158 2.417 -1.894 1.00 23.43 H new ATOM 0 HH TYR A 75 -11.107 3.172 -2.388 1.00 43.51 H new ATOM 1089 N VAL A 76 -13.421 3.433 5.150 1.00 3.33 N ATOM 1090 CA VAL A 76 -12.536 4.297 5.899 1.00 63.44 C ATOM 1091 C VAL A 76 -11.692 3.530 6.909 1.00 40.54 C ATOM 1092 O VAL A 76 -10.489 3.743 6.988 1.00 0.45 O ATOM 1093 CB VAL A 76 -13.312 5.452 6.553 1.00 51.25 C ATOM 1094 CG1 VAL A 76 -12.425 6.269 7.461 1.00 70.23 C ATOM 1095 CG2 VAL A 76 -13.883 6.332 5.461 1.00 21.20 C ATOM 0 H VAL A 76 -14.409 3.670 5.240 1.00 3.33 H new ATOM 0 HA VAL A 76 -11.834 4.733 5.188 1.00 63.44 H new ATOM 0 HB VAL A 76 -14.113 5.036 7.164 1.00 51.25 H new ATOM 0 HG11 VAL A 76 -13.006 7.077 7.906 1.00 70.23 H new ATOM 0 HG12 VAL A 76 -12.026 5.631 8.250 1.00 70.23 H new ATOM 0 HG13 VAL A 76 -11.602 6.690 6.883 1.00 70.23 H new ATOM 0 HG21 VAL A 76 -14.437 7.156 5.910 1.00 21.20 H new ATOM 0 HG22 VAL A 76 -13.071 6.729 4.852 1.00 21.20 H new ATOM 0 HG23 VAL A 76 -14.553 5.744 4.833 1.00 21.20 H new ATOM 1105 N GLN A 77 -12.310 2.605 7.607 1.00 20.31 N ATOM 1106 CA GLN A 77 -11.630 1.763 8.584 1.00 72.52 C ATOM 1107 C GLN A 77 -10.602 0.856 7.892 1.00 53.23 C ATOM 1108 O GLN A 77 -9.596 0.485 8.477 1.00 14.30 O ATOM 1109 CB GLN A 77 -12.688 0.972 9.367 1.00 4.33 C ATOM 1110 CG GLN A 77 -12.205 -0.088 10.332 1.00 34.44 C ATOM 1111 CD GLN A 77 -13.353 -0.646 11.173 1.00 22.43 C ATOM 1112 OE1 GLN A 77 -13.162 -1.069 12.303 1.00 2.33 O ATOM 1113 NE2 GLN A 77 -14.556 -0.627 10.630 1.00 52.10 N ATOM 0 H GLN A 77 -13.307 2.409 7.517 1.00 20.31 H new ATOM 0 HA GLN A 77 -11.068 2.374 9.290 1.00 72.52 H new ATOM 0 HB2 GLN A 77 -13.292 1.685 9.928 1.00 4.33 H new ATOM 0 HB3 GLN A 77 -13.349 0.492 8.646 1.00 4.33 H new ATOM 0 HG2 GLN A 77 -11.732 -0.898 9.777 1.00 34.44 H new ATOM 0 HG3 GLN A 77 -11.444 0.335 10.988 1.00 34.44 H new ATOM 0 HE21 GLN A 77 -14.683 -0.267 9.684 1.00 52.10 H new ATOM 0 HE22 GLN A 77 -15.359 -0.972 11.156 1.00 52.10 H new ATOM 1122 N TYR A 78 -10.833 0.567 6.622 1.00 41.33 N ATOM 1123 CA TYR A 78 -9.913 -0.230 5.864 1.00 63.00 C ATOM 1124 C TYR A 78 -8.731 0.628 5.417 1.00 15.15 C ATOM 1125 O TYR A 78 -7.574 0.260 5.594 1.00 21.24 O ATOM 1126 CB TYR A 78 -10.613 -0.843 4.633 1.00 72.23 C ATOM 1127 CG TYR A 78 -9.669 -1.575 3.704 1.00 12.04 C ATOM 1128 CD1 TYR A 78 -9.181 -2.829 4.028 1.00 3.22 C ATOM 1129 CD2 TYR A 78 -9.243 -0.989 2.515 1.00 61.53 C ATOM 1130 CE1 TYR A 78 -8.300 -3.482 3.197 1.00 41.34 C ATOM 1131 CE2 TYR A 78 -8.359 -1.636 1.682 1.00 61.11 C ATOM 1132 CZ TYR A 78 -7.891 -2.881 2.027 1.00 74.24 C ATOM 1133 OH TYR A 78 -7.005 -3.526 1.205 1.00 15.01 O ATOM 0 H TYR A 78 -11.654 0.878 6.103 1.00 41.33 H new ATOM 0 HA TYR A 78 -9.551 -1.041 6.496 1.00 63.00 H new ATOM 0 HB2 TYR A 78 -11.386 -1.534 4.971 1.00 72.23 H new ATOM 0 HB3 TYR A 78 -11.114 -0.050 4.078 1.00 72.23 H new ATOM 0 HD1 TYR A 78 -9.496 -3.302 4.946 1.00 3.22 H new ATOM 0 HD2 TYR A 78 -9.612 -0.011 2.242 1.00 61.53 H new ATOM 0 HE1 TYR A 78 -7.931 -4.462 3.461 1.00 41.34 H new ATOM 0 HE2 TYR A 78 -8.035 -1.169 0.764 1.00 61.11 H new ATOM 0 HH TYR A 78 -6.997 -3.091 0.327 1.00 15.01 H new ATOM 1143 N MET A 79 -9.033 1.786 4.865 1.00 72.53 N ATOM 1144 CA MET A 79 -8.014 2.619 4.265 1.00 13.01 C ATOM 1145 C MET A 79 -7.153 3.387 5.261 1.00 12.10 C ATOM 1146 O MET A 79 -5.958 3.563 5.025 1.00 73.52 O ATOM 1147 CB MET A 79 -8.584 3.523 3.170 1.00 53.33 C ATOM 1148 CG MET A 79 -7.532 4.398 2.489 1.00 41.31 C ATOM 1149 SD MET A 79 -8.063 5.022 0.892 1.00 74.14 S ATOM 1150 CE MET A 79 -8.177 3.474 -0.022 1.00 33.40 C ATOM 0 H MET A 79 -9.977 2.170 4.820 1.00 72.53 H new ATOM 0 HA MET A 79 -7.325 1.921 3.790 1.00 13.01 H new ATOM 0 HB2 MET A 79 -9.072 2.904 2.417 1.00 53.33 H new ATOM 0 HB3 MET A 79 -9.352 4.164 3.603 1.00 53.33 H new ATOM 0 HG2 MET A 79 -7.291 5.239 3.139 1.00 41.31 H new ATOM 0 HG3 MET A 79 -6.616 3.821 2.361 1.00 41.31 H new ATOM 0 HE1 MET A 79 -8.358 3.686 -1.076 1.00 33.40 H new ATOM 0 HE2 MET A 79 -7.244 2.921 0.082 1.00 33.40 H new ATOM 0 HE3 MET A 79 -8.999 2.877 0.374 1.00 33.40 H new ATOM 1160 N LYS A 80 -7.718 3.792 6.381 1.00 30.20 N ATOM 1161 CA LYS A 80 -6.953 4.564 7.359 1.00 5.43 C ATOM 1162 C LYS A 80 -5.742 3.777 7.887 1.00 75.41 C ATOM 1163 O LYS A 80 -4.671 4.333 8.060 1.00 25.52 O ATOM 1164 CB LYS A 80 -7.840 5.093 8.495 1.00 11.54 C ATOM 1165 CG LYS A 80 -8.541 4.024 9.318 1.00 55.23 C ATOM 1166 CD LYS A 80 -9.445 4.639 10.377 1.00 32.34 C ATOM 1167 CE LYS A 80 -8.658 5.444 11.403 1.00 14.35 C ATOM 1168 NZ LYS A 80 -7.686 4.603 12.147 1.00 44.43 N ATOM 0 H LYS A 80 -8.687 3.607 6.640 1.00 30.20 H new ATOM 0 HA LYS A 80 -6.559 5.437 6.839 1.00 5.43 H new ATOM 0 HB2 LYS A 80 -7.226 5.699 9.162 1.00 11.54 H new ATOM 0 HB3 LYS A 80 -8.595 5.754 8.068 1.00 11.54 H new ATOM 0 HG2 LYS A 80 -9.131 3.386 8.660 1.00 55.23 H new ATOM 0 HG3 LYS A 80 -7.798 3.387 9.798 1.00 55.23 H new ATOM 0 HD2 LYS A 80 -10.179 5.285 9.896 1.00 32.34 H new ATOM 0 HD3 LYS A 80 -9.999 3.849 10.884 1.00 32.34 H new ATOM 0 HE2 LYS A 80 -8.127 6.252 10.899 1.00 14.35 H new ATOM 0 HE3 LYS A 80 -9.349 5.907 12.107 1.00 14.35 H new ATOM 0 HZ1 LYS A 80 -7.566 4.980 13.109 1.00 44.43 H new ATOM 0 HZ2 LYS A 80 -8.040 3.627 12.199 1.00 44.43 H new ATOM 0 HZ3 LYS A 80 -6.770 4.613 11.654 1.00 44.43 H new ATOM 1182 N GLU A 81 -5.916 2.477 8.076 1.00 24.32 N ATOM 1183 CA GLU A 81 -4.815 1.621 8.494 1.00 61.24 C ATOM 1184 C GLU A 81 -4.039 1.084 7.276 1.00 14.22 C ATOM 1185 O GLU A 81 -2.966 0.524 7.397 1.00 1.41 O ATOM 1186 CB GLU A 81 -5.294 0.502 9.437 1.00 2.13 C ATOM 1187 CG GLU A 81 -5.364 0.903 10.931 1.00 25.55 C ATOM 1188 CD GLU A 81 -6.207 2.136 11.239 1.00 30.42 C ATOM 1189 OE1 GLU A 81 -5.693 3.277 11.148 1.00 52.23 O ATOM 1190 OE2 GLU A 81 -7.393 2.008 11.625 1.00 42.31 O ATOM 0 H GLU A 81 -6.805 1.993 7.947 1.00 24.32 H new ATOM 0 HA GLU A 81 -4.116 2.226 9.071 1.00 61.24 H new ATOM 0 HB2 GLU A 81 -6.282 0.173 9.116 1.00 2.13 H new ATOM 0 HB3 GLU A 81 -4.625 -0.352 9.335 1.00 2.13 H new ATOM 0 HG2 GLU A 81 -5.762 0.061 11.497 1.00 25.55 H new ATOM 0 HG3 GLU A 81 -4.350 1.078 11.291 1.00 25.55 H new ATOM 1197 N LYS A 82 -4.614 1.257 6.096 1.00 5.31 N ATOM 1198 CA LYS A 82 -3.926 0.950 4.842 1.00 35.54 C ATOM 1199 C LYS A 82 -3.184 2.152 4.310 1.00 15.33 C ATOM 1200 O LYS A 82 -2.651 2.114 3.223 1.00 21.34 O ATOM 1201 CB LYS A 82 -4.842 0.352 3.770 1.00 71.21 C ATOM 1202 CG LYS A 82 -5.157 -1.129 3.953 1.00 42.44 C ATOM 1203 CD LYS A 82 -3.898 -2.041 3.957 1.00 51.55 C ATOM 1204 CE LYS A 82 -3.070 -2.011 2.642 1.00 4.24 C ATOM 1205 NZ LYS A 82 -2.283 -0.760 2.450 1.00 64.21 N ATOM 0 H LYS A 82 -5.563 1.611 5.976 1.00 5.31 H new ATOM 0 HA LYS A 82 -3.200 0.175 5.088 1.00 35.54 H new ATOM 0 HB2 LYS A 82 -5.778 0.910 3.760 1.00 71.21 H new ATOM 0 HB3 LYS A 82 -4.376 0.492 2.794 1.00 71.21 H new ATOM 0 HG2 LYS A 82 -5.695 -1.263 4.891 1.00 42.44 H new ATOM 0 HG3 LYS A 82 -5.825 -1.451 3.154 1.00 42.44 H new ATOM 0 HD2 LYS A 82 -3.253 -1.743 4.783 1.00 51.55 H new ATOM 0 HD3 LYS A 82 -4.210 -3.067 4.150 1.00 51.55 H new ATOM 0 HE2 LYS A 82 -2.389 -2.862 2.634 1.00 4.24 H new ATOM 0 HE3 LYS A 82 -3.746 -2.136 1.796 1.00 4.24 H new ATOM 0 HZ1 LYS A 82 -1.350 -0.994 2.054 1.00 64.21 H new ATOM 0 HZ2 LYS A 82 -2.788 -0.129 1.796 1.00 64.21 H new ATOM 0 HZ3 LYS A 82 -2.161 -0.283 3.366 1.00 64.21 H new ATOM 1219 N ASN A 83 -3.256 3.235 5.047 1.00 70.43 N ATOM 1220 CA ASN A 83 -2.461 4.441 4.782 1.00 32.22 C ATOM 1221 C ASN A 83 -0.985 4.214 5.233 1.00 64.00 C ATOM 1222 O ASN A 83 -0.139 5.052 5.021 1.00 21.11 O ATOM 1223 CB ASN A 83 -3.094 5.633 5.552 1.00 13.33 C ATOM 1224 CG ASN A 83 -2.507 7.008 5.220 1.00 14.22 C ATOM 1225 OD1 ASN A 83 -1.548 7.459 5.826 1.00 3.41 O ATOM 1226 ND2 ASN A 83 -3.129 7.704 4.296 1.00 45.42 N ATOM 0 H ASN A 83 -3.869 3.318 5.858 1.00 70.43 H new ATOM 0 HA ASN A 83 -2.458 4.662 3.715 1.00 32.22 H new ATOM 0 HB2 ASN A 83 -4.164 5.652 5.344 1.00 13.33 H new ATOM 0 HB3 ASN A 83 -2.980 5.456 6.621 1.00 13.33 H new ATOM 0 HD21 ASN A 83 -2.813 8.647 4.069 1.00 45.42 H new ATOM 0 HD22 ASN A 83 -3.928 7.302 3.806 1.00 45.42 H new ATOM 1345 N LEU A 92 16.253 7.138 5.985 1.00 14.14 N ATOM 1346 CA LEU A 92 16.621 5.916 5.300 1.00 63.54 C ATOM 1347 C LEU A 92 17.515 6.278 4.106 1.00 61.54 C ATOM 1348 O LEU A 92 18.469 5.572 3.795 1.00 50.03 O ATOM 1349 CB LEU A 92 15.276 5.282 4.852 1.00 21.44 C ATOM 1350 CG LEU A 92 15.208 3.883 4.250 1.00 73.41 C ATOM 1351 CD1 LEU A 92 13.760 3.419 4.348 1.00 0.02 C ATOM 1352 CD2 LEU A 92 15.618 3.897 2.782 1.00 31.25 C ATOM 0 HA LEU A 92 17.182 5.216 5.919 1.00 63.54 H new ATOM 0 HB2 LEU A 92 14.622 5.282 5.724 1.00 21.44 H new ATOM 0 HB3 LEU A 92 14.835 5.961 4.122 1.00 21.44 H new ATOM 0 HG LEU A 92 15.886 3.220 4.787 1.00 73.41 H new ATOM 0 HD11 LEU A 92 13.669 2.418 3.926 1.00 0.02 H new ATOM 0 HD12 LEU A 92 13.454 3.401 5.394 1.00 0.02 H new ATOM 0 HD13 LEU A 92 13.120 4.106 3.794 1.00 0.02 H new ATOM 0 HD21 LEU A 92 15.560 2.886 2.378 1.00 31.25 H new ATOM 0 HD22 LEU A 92 14.947 4.550 2.223 1.00 31.25 H new ATOM 0 HD23 LEU A 92 16.640 4.265 2.693 1.00 31.25 H new ATOM 1364 N ASN A 93 17.221 7.417 3.497 1.00 13.12 N ATOM 1365 CA ASN A 93 17.992 7.944 2.386 1.00 42.00 C ATOM 1366 C ASN A 93 19.438 8.200 2.793 1.00 44.42 C ATOM 1367 O ASN A 93 20.362 7.859 2.051 1.00 24.14 O ATOM 1368 CB ASN A 93 17.341 9.230 1.843 1.00 60.02 C ATOM 1369 CG ASN A 93 18.240 10.020 0.902 1.00 0.21 C ATOM 1370 OD1 ASN A 93 18.290 9.765 -0.296 1.00 44.25 O ATOM 1371 ND2 ASN A 93 18.910 11.013 1.433 1.00 45.43 N ATOM 0 H ASN A 93 16.432 8.006 3.765 1.00 13.12 H new ATOM 0 HA ASN A 93 17.998 7.197 1.592 1.00 42.00 H new ATOM 0 HB2 ASN A 93 16.422 8.968 1.319 1.00 60.02 H new ATOM 0 HB3 ASN A 93 17.059 9.866 2.682 1.00 60.02 H new ATOM 0 HD21 ASN A 93 19.498 11.604 0.845 1.00 45.43 H new ATOM 0 HD22 ASN A 93 18.844 11.195 2.434 1.00 45.43 H new ATOM 1378 N GLU A 94 19.636 8.727 3.995 1.00 24.45 N ATOM 1379 CA GLU A 94 20.962 9.066 4.473 1.00 31.22 C ATOM 1380 C GLU A 94 21.822 7.819 4.613 1.00 11.03 C ATOM 1381 O GLU A 94 22.883 7.713 3.982 1.00 24.33 O ATOM 1382 CB GLU A 94 20.929 9.871 5.796 1.00 25.44 C ATOM 1383 CG GLU A 94 20.437 11.329 5.680 1.00 31.10 C ATOM 1384 CD GLU A 94 18.978 11.480 5.280 1.00 61.51 C ATOM 1385 OE1 GLU A 94 18.685 11.442 4.072 1.00 42.53 O ATOM 1386 OE2 GLU A 94 18.126 11.647 6.175 1.00 63.24 O ATOM 0 H GLU A 94 18.887 8.928 4.657 1.00 24.45 H new ATOM 0 HA GLU A 94 21.413 9.716 3.723 1.00 31.22 H new ATOM 0 HB2 GLU A 94 20.288 9.346 6.504 1.00 25.44 H new ATOM 0 HB3 GLU A 94 21.933 9.878 6.221 1.00 25.44 H new ATOM 0 HG2 GLU A 94 20.590 11.826 6.638 1.00 31.10 H new ATOM 0 HG3 GLU A 94 21.055 11.849 4.948 1.00 31.10 H new ATOM 1393 N ILE A 95 21.334 6.840 5.369 1.00 4.35 N ATOM 1394 CA ILE A 95 22.082 5.599 5.572 1.00 24.03 C ATOM 1395 C ILE A 95 22.288 4.860 4.229 1.00 44.24 C ATOM 1396 O ILE A 95 23.376 4.320 3.951 1.00 31.21 O ATOM 1397 CB ILE A 95 21.448 4.672 6.682 1.00 33.21 C ATOM 1398 CG1 ILE A 95 22.235 3.358 6.861 1.00 11.23 C ATOM 1399 CG2 ILE A 95 19.980 4.386 6.430 1.00 61.53 C ATOM 1400 CD1 ILE A 95 23.656 3.543 7.359 1.00 24.33 C ATOM 0 H ILE A 95 20.434 6.878 5.847 1.00 4.35 H new ATOM 0 HA ILE A 95 23.065 5.872 5.955 1.00 24.03 H new ATOM 0 HB ILE A 95 21.517 5.233 7.614 1.00 33.21 H new ATOM 0 HG12 ILE A 95 21.697 2.719 7.562 1.00 11.23 H new ATOM 0 HG13 ILE A 95 22.263 2.832 5.907 1.00 11.23 H new ATOM 0 HG21 ILE A 95 19.593 3.745 7.222 1.00 61.53 H new ATOM 0 HG22 ILE A 95 19.424 5.323 6.418 1.00 61.53 H new ATOM 0 HG23 ILE A 95 19.867 3.884 5.469 1.00 61.53 H new ATOM 0 HD11 ILE A 95 24.137 2.570 7.457 1.00 24.33 H new ATOM 0 HD12 ILE A 95 24.214 4.154 6.649 1.00 24.33 H new ATOM 0 HD13 ILE A 95 23.640 4.039 8.330 1.00 24.33 H new ATOM 1412 N PHE A 96 21.291 4.920 3.357 1.00 54.35 N ATOM 1413 CA PHE A 96 21.423 4.333 2.037 1.00 71.44 C ATOM 1414 C PHE A 96 22.434 5.067 1.177 1.00 52.15 C ATOM 1415 O PHE A 96 23.029 4.470 0.299 1.00 50.25 O ATOM 1416 CB PHE A 96 20.079 4.136 1.324 1.00 45.11 C ATOM 1417 CG PHE A 96 19.379 2.861 1.727 1.00 64.21 C ATOM 1418 CD1 PHE A 96 18.982 2.648 3.032 1.00 14.13 C ATOM 1419 CD2 PHE A 96 19.134 1.870 0.793 1.00 12.23 C ATOM 1420 CE1 PHE A 96 18.357 1.481 3.407 1.00 64.42 C ATOM 1421 CE2 PHE A 96 18.502 0.699 1.160 1.00 65.02 C ATOM 1422 CZ PHE A 96 18.117 0.506 2.471 1.00 62.15 C ATOM 0 H PHE A 96 20.392 5.365 3.540 1.00 54.35 H new ATOM 0 HA PHE A 96 21.819 3.330 2.198 1.00 71.44 H new ATOM 0 HB2 PHE A 96 19.431 4.985 1.542 1.00 45.11 H new ATOM 0 HB3 PHE A 96 20.243 4.129 0.246 1.00 45.11 H new ATOM 0 HD1 PHE A 96 19.166 3.412 3.773 1.00 14.13 H new ATOM 0 HD2 PHE A 96 19.440 2.014 -0.233 1.00 12.23 H new ATOM 0 HE1 PHE A 96 18.056 1.333 4.434 1.00 64.42 H new ATOM 0 HE2 PHE A 96 18.309 -0.065 0.422 1.00 65.02 H new ATOM 0 HZ PHE A 96 17.627 -0.412 2.761 1.00 62.15 H new ATOM 1432 N SER A 97 22.699 6.326 1.485 1.00 12.12 N ATOM 1433 CA SER A 97 23.700 7.072 0.753 1.00 20.21 C ATOM 1434 C SER A 97 25.096 6.662 1.238 1.00 55.23 C ATOM 1435 O SER A 97 26.098 6.962 0.609 1.00 24.21 O ATOM 1436 CB SER A 97 23.486 8.581 0.919 1.00 53.02 C ATOM 1437 OG SER A 97 22.213 8.973 0.429 1.00 72.32 O ATOM 0 H SER A 97 22.237 6.846 2.231 1.00 12.12 H new ATOM 0 HA SER A 97 23.610 6.842 -0.309 1.00 20.21 H new ATOM 0 HB2 SER A 97 23.573 8.850 1.972 1.00 53.02 H new ATOM 0 HB3 SER A 97 24.267 9.123 0.386 1.00 53.02 H new ATOM 0 HG SER A 97 21.511 8.559 0.974 1.00 72.32 H new ATOM 1443 N THR A 98 25.136 5.968 2.365 1.00 21.13 N ATOM 1444 CA THR A 98 26.369 5.483 2.903 1.00 62.42 C ATOM 1445 C THR A 98 26.650 4.072 2.345 1.00 10.32 C ATOM 1446 O THR A 98 27.751 3.776 1.905 1.00 53.13 O ATOM 1447 CB THR A 98 26.290 5.438 4.442 1.00 61.43 C ATOM 1448 OG1 THR A 98 25.798 6.701 4.918 1.00 41.24 O ATOM 1449 CG2 THR A 98 27.661 5.172 5.055 1.00 30.32 C ATOM 0 H THR A 98 24.313 5.733 2.919 1.00 21.13 H new ATOM 0 HA THR A 98 27.179 6.153 2.614 1.00 62.42 H new ATOM 0 HB THR A 98 25.620 4.629 4.734 1.00 61.43 H new ATOM 0 HG1 THR A 98 25.742 6.683 5.896 1.00 41.24 H new ATOM 0 HG21 THR A 98 27.575 5.146 6.141 1.00 30.32 H new ATOM 0 HG22 THR A 98 28.040 4.214 4.698 1.00 30.32 H new ATOM 0 HG23 THR A 98 28.350 5.966 4.765 1.00 30.32 H new ATOM 1457 N ILE A 99 25.629 3.218 2.341 1.00 2.53 N ATOM 1458 CA ILE A 99 25.813 1.843 1.871 1.00 53.23 C ATOM 1459 C ILE A 99 25.631 1.630 0.401 1.00 14.22 C ATOM 1460 O ILE A 99 26.490 1.054 -0.235 1.00 75.10 O ATOM 1461 CB ILE A 99 24.945 0.820 2.563 1.00 25.53 C ATOM 1462 CG1 ILE A 99 23.504 1.316 2.808 1.00 20.03 C ATOM 1463 CG2 ILE A 99 25.625 0.254 3.778 1.00 21.10 C ATOM 1464 CD1 ILE A 99 22.580 0.294 3.425 1.00 1.33 C ATOM 0 H ILE A 99 24.684 3.445 2.650 1.00 2.53 H new ATOM 0 HA ILE A 99 26.861 1.692 2.130 1.00 53.23 H new ATOM 0 HB ILE A 99 24.819 -0.018 1.878 1.00 25.53 H new ATOM 0 HG12 ILE A 99 23.541 2.191 3.457 1.00 20.03 H new ATOM 0 HG13 ILE A 99 23.080 1.642 1.858 1.00 20.03 H new ATOM 0 HG21 ILE A 99 24.972 -0.479 4.252 1.00 21.10 H new ATOM 0 HG22 ILE A 99 26.557 -0.228 3.482 1.00 21.10 H new ATOM 0 HG23 ILE A 99 25.840 1.058 4.482 1.00 21.10 H new ATOM 0 HD11 ILE A 99 21.591 0.732 3.560 1.00 1.33 H new ATOM 0 HD12 ILE A 99 22.506 -0.573 2.769 1.00 1.33 H new ATOM 0 HD13 ILE A 99 22.974 -0.016 4.393 1.00 1.33 H new ATOM 1476 N ALA A 100 24.522 2.100 -0.145 1.00 1.32 N ATOM 1477 CA ALA A 100 24.139 1.836 -1.537 1.00 61.11 C ATOM 1478 C ALA A 100 24.931 2.715 -2.494 1.00 11.32 C ATOM 1479 O ALA A 100 24.737 2.695 -3.702 1.00 54.40 O ATOM 1480 CB ALA A 100 22.651 2.055 -1.685 1.00 63.54 C ATOM 0 H ALA A 100 23.853 2.680 0.361 1.00 1.32 H new ATOM 0 HA ALA A 100 24.372 0.802 -1.791 1.00 61.11 H new ATOM 0 HB1 ALA A 100 22.356 1.861 -2.716 1.00 63.54 H new ATOM 0 HB2 ALA A 100 22.116 1.377 -1.021 1.00 63.54 H new ATOM 0 HB3 ALA A 100 22.407 3.085 -1.425 1.00 63.54 H new ATOM 1486 N ALA A 101 25.837 3.438 -1.904 1.00 3.03 N ATOM 1487 CA ALA A 101 26.759 4.330 -2.530 1.00 23.21 C ATOM 1488 C ALA A 101 27.527 3.641 -3.668 1.00 12.03 C ATOM 1489 O ALA A 101 28.248 2.662 -3.446 1.00 14.20 O ATOM 1490 CB ALA A 101 27.717 4.777 -1.452 1.00 43.50 C ATOM 0 H ALA A 101 25.957 3.415 -0.891 1.00 3.03 H new ATOM 0 HA ALA A 101 26.230 5.172 -2.976 1.00 23.21 H new ATOM 0 HB1 ALA A 101 28.448 5.465 -1.877 1.00 43.50 H new ATOM 0 HB2 ALA A 101 27.164 5.280 -0.659 1.00 43.50 H new ATOM 0 HB3 ALA A 101 28.232 3.909 -1.040 1.00 43.50 H new ATOM 1496 N GLY A 102 27.307 4.118 -4.882 1.00 32.02 N ATOM 1497 CA GLY A 102 28.027 3.609 -6.040 1.00 22.20 C ATOM 1498 C GLY A 102 27.305 2.467 -6.717 1.00 45.10 C ATOM 1499 O GLY A 102 27.721 1.990 -7.764 1.00 11.25 O ATOM 0 H GLY A 102 26.636 4.857 -5.092 1.00 32.02 H new ATOM 0 HA2 GLY A 102 28.173 4.417 -6.756 1.00 22.20 H new ATOM 0 HA3 GLY A 102 29.017 3.275 -5.730 1.00 22.20 H new ATOM 1503 N LYS A 103 26.235 2.040 -6.113 1.00 61.45 N ATOM 1504 CA LYS A 103 25.439 0.947 -6.606 1.00 11.12 C ATOM 1505 C LYS A 103 24.097 1.477 -7.098 1.00 63.54 C ATOM 1506 O LYS A 103 23.756 2.626 -6.830 1.00 1.40 O ATOM 1507 CB LYS A 103 25.273 -0.089 -5.470 1.00 33.51 C ATOM 1508 CG LYS A 103 26.572 -0.849 -5.163 1.00 42.34 C ATOM 1509 CD LYS A 103 26.556 -1.623 -3.840 1.00 2.53 C ATOM 1510 CE LYS A 103 26.682 -0.686 -2.646 1.00 71.14 C ATOM 1511 NZ LYS A 103 26.808 -1.395 -1.358 1.00 65.34 N ATOM 0 H LYS A 103 25.882 2.447 -5.247 1.00 61.45 H new ATOM 0 HA LYS A 103 25.925 0.458 -7.450 1.00 11.12 H new ATOM 0 HB2 LYS A 103 24.933 0.419 -4.568 1.00 33.51 H new ATOM 0 HB3 LYS A 103 24.496 -0.803 -5.746 1.00 33.51 H new ATOM 0 HG2 LYS A 103 26.771 -1.547 -5.976 1.00 42.34 H new ATOM 0 HG3 LYS A 103 27.398 -0.138 -5.144 1.00 42.34 H new ATOM 0 HD2 LYS A 103 25.630 -2.193 -3.761 1.00 2.53 H new ATOM 0 HD3 LYS A 103 27.375 -2.342 -3.828 1.00 2.53 H new ATOM 0 HE2 LYS A 103 27.552 -0.045 -2.786 1.00 71.14 H new ATOM 0 HE3 LYS A 103 25.809 -0.035 -2.610 1.00 71.14 H new ATOM 0 HZ1 LYS A 103 26.890 -0.702 -0.587 1.00 65.34 H new ATOM 0 HZ2 LYS A 103 25.967 -1.987 -1.204 1.00 65.34 H new ATOM 0 HZ3 LYS A 103 27.656 -1.997 -1.374 1.00 65.34 H new ATOM 1525 N ASP A 104 23.390 0.690 -7.874 1.00 21.42 N ATOM 1526 CA ASP A 104 22.034 1.044 -8.315 1.00 63.42 C ATOM 1527 C ASP A 104 21.051 0.140 -7.579 1.00 41.14 C ATOM 1528 O ASP A 104 19.924 0.522 -7.250 1.00 51.33 O ATOM 1529 CB ASP A 104 21.883 0.846 -9.843 1.00 54.43 C ATOM 1530 CG ASP A 104 21.923 -0.616 -10.256 1.00 3.41 C ATOM 1531 OD1 ASP A 104 22.864 -1.325 -9.834 1.00 24.22 O ATOM 1532 OD2 ASP A 104 21.007 -1.067 -10.980 1.00 35.24 O ATOM 0 H ASP A 104 23.722 -0.209 -8.223 1.00 21.42 H new ATOM 0 HA ASP A 104 21.837 2.093 -8.092 1.00 63.42 H new ATOM 0 HB2 ASP A 104 20.940 1.285 -10.170 1.00 54.43 H new ATOM 0 HB3 ASP A 104 22.680 1.385 -10.355 1.00 54.43 H new ATOM 1537 N SER A 105 21.511 -1.044 -7.296 1.00 44.23 N ATOM 1538 CA SER A 105 20.760 -2.017 -6.613 1.00 21.41 C ATOM 1539 C SER A 105 21.462 -2.372 -5.315 1.00 32.05 C ATOM 1540 O SER A 105 22.681 -2.208 -5.182 1.00 4.11 O ATOM 1541 CB SER A 105 20.620 -3.247 -7.508 1.00 75.25 C ATOM 1542 OG SER A 105 19.813 -4.253 -6.916 1.00 53.53 O ATOM 0 H SER A 105 22.450 -1.353 -7.549 1.00 44.23 H new ATOM 0 HA SER A 105 19.767 -1.636 -6.375 1.00 21.41 H new ATOM 0 HB2 SER A 105 20.186 -2.951 -8.463 1.00 75.25 H new ATOM 0 HB3 SER A 105 21.609 -3.655 -7.719 1.00 75.25 H new ATOM 0 HG SER A 105 19.286 -3.863 -6.187 1.00 53.53 H new ATOM 1548 N ILE A 106 20.700 -2.831 -4.376 1.00 41.34 N ATOM 1549 CA ILE A 106 21.188 -3.239 -3.105 1.00 45.53 C ATOM 1550 C ILE A 106 20.638 -4.635 -2.797 1.00 63.34 C ATOM 1551 O ILE A 106 19.497 -4.921 -3.074 1.00 62.41 O ATOM 1552 CB ILE A 106 20.803 -2.194 -1.997 1.00 15.54 C ATOM 1553 CG1 ILE A 106 21.305 -2.640 -0.647 1.00 75.12 C ATOM 1554 CG2 ILE A 106 19.288 -1.950 -1.938 1.00 2.14 C ATOM 1555 CD1 ILE A 106 21.260 -1.557 0.405 1.00 51.52 C ATOM 0 H ILE A 106 19.690 -2.934 -4.479 1.00 41.34 H new ATOM 0 HA ILE A 106 22.277 -3.286 -3.119 1.00 45.53 H new ATOM 0 HB ILE A 106 21.282 -1.253 -2.265 1.00 15.54 H new ATOM 0 HG12 ILE A 106 20.709 -3.488 -0.309 1.00 75.12 H new ATOM 0 HG13 ILE A 106 22.331 -2.993 -0.749 1.00 75.12 H new ATOM 0 HG21 ILE A 106 19.067 -1.221 -1.158 1.00 2.14 H new ATOM 0 HG22 ILE A 106 18.943 -1.569 -2.899 1.00 2.14 H new ATOM 0 HG23 ILE A 106 18.777 -2.887 -1.714 1.00 2.14 H new ATOM 0 HD11 ILE A 106 21.636 -1.951 1.349 1.00 51.52 H new ATOM 0 HD12 ILE A 106 21.880 -0.717 0.090 1.00 51.52 H new ATOM 0 HD13 ILE A 106 20.232 -1.220 0.536 1.00 51.52 H new ATOM 1567 N THR A 107 21.458 -5.514 -2.308 1.00 71.13 N ATOM 1568 CA THR A 107 21.002 -6.843 -1.976 1.00 25.20 C ATOM 1569 C THR A 107 20.753 -6.893 -0.485 1.00 32.02 C ATOM 1570 O THR A 107 21.285 -6.061 0.225 1.00 3.54 O ATOM 1571 CB THR A 107 22.072 -7.894 -2.356 1.00 71.20 C ATOM 1572 OG1 THR A 107 23.325 -7.560 -1.733 1.00 11.24 O ATOM 1573 CG2 THR A 107 22.259 -7.963 -3.864 1.00 20.51 C ATOM 0 H THR A 107 22.447 -5.342 -2.127 1.00 71.13 H new ATOM 0 HA THR A 107 20.090 -7.068 -2.528 1.00 25.20 H new ATOM 0 HB THR A 107 21.732 -8.868 -2.004 1.00 71.20 H new ATOM 0 HG1 THR A 107 23.999 -8.229 -1.975 1.00 11.24 H new ATOM 0 HG21 THR A 107 23.017 -8.709 -4.103 1.00 20.51 H new ATOM 0 HG22 THR A 107 21.316 -8.239 -4.335 1.00 20.51 H new ATOM 0 HG23 THR A 107 22.579 -6.990 -4.236 1.00 20.51 H new ATOM 1581 N GLU A 108 19.956 -7.850 0.000 1.00 62.24 N ATOM 1582 CA GLU A 108 19.724 -7.981 1.449 1.00 33.21 C ATOM 1583 C GLU A 108 21.039 -8.094 2.188 1.00 41.12 C ATOM 1584 O GLU A 108 21.276 -7.419 3.183 1.00 60.31 O ATOM 1585 CB GLU A 108 18.949 -9.221 1.784 1.00 52.33 C ATOM 1586 CG GLU A 108 18.833 -9.345 3.270 1.00 0.43 C ATOM 1587 CD GLU A 108 17.849 -8.339 3.822 1.00 65.33 C ATOM 1588 OE1 GLU A 108 18.260 -7.204 4.083 1.00 65.44 O ATOM 1589 OE2 GLU A 108 16.645 -8.676 3.942 1.00 25.20 O ATOM 0 H GLU A 108 19.466 -8.536 -0.574 1.00 62.24 H new ATOM 0 HA GLU A 108 19.166 -7.093 1.746 1.00 33.21 H new ATOM 0 HB2 GLU A 108 17.958 -9.177 1.333 1.00 52.33 H new ATOM 0 HB3 GLU A 108 19.448 -10.098 1.372 1.00 52.33 H new ATOM 0 HG2 GLU A 108 18.512 -10.354 3.530 1.00 0.43 H new ATOM 0 HG3 GLU A 108 19.810 -9.193 3.729 1.00 0.43 H new ATOM 1596 N THR A 109 21.877 -8.965 1.694 1.00 12.23 N ATOM 1597 CA THR A 109 23.176 -9.188 2.225 1.00 62.30 C ATOM 1598 C THR A 109 23.956 -7.868 2.318 1.00 52.40 C ATOM 1599 O THR A 109 24.823 -7.706 3.167 1.00 73.02 O ATOM 1600 CB THR A 109 23.885 -10.147 1.307 1.00 32.44 C ATOM 1601 OG1 THR A 109 23.102 -11.352 1.203 1.00 20.14 O ATOM 1602 CG2 THR A 109 25.320 -10.444 1.751 1.00 25.32 C ATOM 0 H THR A 109 21.660 -9.551 0.888 1.00 12.23 H new ATOM 0 HA THR A 109 23.105 -9.601 3.231 1.00 62.30 H new ATOM 0 HB THR A 109 23.977 -9.681 0.326 1.00 32.44 H new ATOM 0 HG1 THR A 109 23.553 -11.985 0.606 1.00 20.14 H new ATOM 0 HG21 THR A 109 25.781 -11.141 1.051 1.00 25.32 H new ATOM 0 HG22 THR A 109 25.894 -9.517 1.771 1.00 25.32 H new ATOM 0 HG23 THR A 109 25.309 -10.885 2.748 1.00 25.32 H new ATOM 1610 N ASP A 110 23.660 -6.936 1.449 1.00 62.10 N ATOM 1611 CA ASP A 110 24.258 -5.658 1.558 1.00 61.25 C ATOM 1612 C ASP A 110 23.518 -4.796 2.585 1.00 53.51 C ATOM 1613 O ASP A 110 24.128 -4.248 3.503 1.00 41.12 O ATOM 1614 CB ASP A 110 24.396 -4.966 0.225 1.00 72.12 C ATOM 1615 CG ASP A 110 25.288 -3.771 0.345 1.00 62.30 C ATOM 1616 OD1 ASP A 110 26.373 -3.893 0.994 1.00 33.41 O ATOM 1617 OD2 ASP A 110 24.946 -2.713 -0.196 1.00 62.22 O ATOM 0 H ASP A 110 23.012 -7.049 0.669 1.00 62.10 H new ATOM 0 HA ASP A 110 25.275 -5.806 1.921 1.00 61.25 H new ATOM 0 HB2 ASP A 110 24.804 -5.659 -0.511 1.00 72.12 H new ATOM 0 HB3 ASP A 110 23.414 -4.660 -0.136 1.00 72.12 H new ATOM 1622 N MET A 111 22.214 -4.825 2.471 1.00 32.03 N ATOM 1623 CA MET A 111 21.259 -3.999 3.208 1.00 12.31 C ATOM 1624 C MET A 111 21.168 -4.301 4.723 1.00 62.43 C ATOM 1625 O MET A 111 21.503 -3.428 5.517 1.00 4.14 O ATOM 1626 CB MET A 111 19.904 -4.129 2.528 1.00 71.43 C ATOM 1627 CG MET A 111 18.875 -3.098 2.915 1.00 52.33 C ATOM 1628 SD MET A 111 17.390 -3.229 1.899 1.00 61.01 S ATOM 1629 CE MET A 111 16.923 -4.926 2.190 1.00 20.12 C ATOM 0 H MET A 111 21.750 -5.462 1.823 1.00 32.03 H new ATOM 0 HA MET A 111 21.619 -2.971 3.174 1.00 12.31 H new ATOM 0 HB2 MET A 111 20.053 -4.079 1.449 1.00 71.43 H new ATOM 0 HB3 MET A 111 19.501 -5.118 2.748 1.00 71.43 H new ATOM 0 HG2 MET A 111 18.611 -3.223 3.965 1.00 52.33 H new ATOM 0 HG3 MET A 111 19.301 -2.100 2.810 1.00 52.33 H new ATOM 0 HE1 MET A 111 15.838 -5.018 2.145 1.00 20.12 H new ATOM 0 HE2 MET A 111 17.373 -5.563 1.428 1.00 20.12 H new ATOM 0 HE3 MET A 111 17.273 -5.236 3.175 1.00 20.12 H new ATOM 1639 N GLN A 112 20.722 -5.527 5.135 1.00 35.33 N ATOM 1640 CA GLN A 112 20.583 -5.853 6.592 1.00 61.43 C ATOM 1641 C GLN A 112 21.832 -5.579 7.401 1.00 63.25 C ATOM 1642 O GLN A 112 21.754 -5.255 8.587 1.00 21.15 O ATOM 1643 CB GLN A 112 19.979 -7.262 6.922 1.00 21.21 C ATOM 1644 CG GLN A 112 20.573 -8.511 6.251 1.00 72.10 C ATOM 1645 CD GLN A 112 22.062 -8.697 6.383 1.00 71.33 C ATOM 1646 OE1 GLN A 112 22.560 -9.271 7.333 1.00 3.03 O ATOM 1647 NE2 GLN A 112 22.775 -8.283 5.376 1.00 2.34 N ATOM 0 H GLN A 112 20.460 -6.284 4.503 1.00 35.33 H new ATOM 0 HA GLN A 112 19.824 -5.141 6.915 1.00 61.43 H new ATOM 0 HB2 GLN A 112 20.050 -7.404 8.000 1.00 21.21 H new ATOM 0 HB3 GLN A 112 18.918 -7.230 6.674 1.00 21.21 H new ATOM 0 HG2 GLN A 112 20.081 -9.390 6.668 1.00 72.10 H new ATOM 0 HG3 GLN A 112 20.325 -8.480 5.190 1.00 72.10 H new ATOM 0 HE21 GLN A 112 22.325 -7.805 4.595 1.00 2.34 H new ATOM 0 HE22 GLN A 112 23.783 -8.437 5.368 1.00 2.34 H new ATOM 1656 N LYS A 113 22.982 -5.694 6.745 1.00 11.04 N ATOM 1657 CA LYS A 113 24.290 -5.359 7.409 1.00 24.52 C ATOM 1658 C LYS A 113 24.317 -3.951 8.036 1.00 53.22 C ATOM 1659 O LYS A 113 25.062 -3.716 8.966 1.00 3.33 O ATOM 1660 CB LYS A 113 25.520 -5.464 6.485 1.00 33.24 C ATOM 1661 CG LYS A 113 25.767 -6.817 5.874 1.00 41.43 C ATOM 1662 CD LYS A 113 27.193 -6.956 5.289 1.00 1.22 C ATOM 1663 CE LYS A 113 27.623 -5.810 4.343 1.00 53.32 C ATOM 1664 NZ LYS A 113 26.658 -5.545 3.269 1.00 74.31 N ATOM 0 H LYS A 113 23.063 -6.006 5.777 1.00 11.04 H new ATOM 0 HA LYS A 113 24.356 -6.121 8.185 1.00 24.52 H new ATOM 0 HB2 LYS A 113 25.409 -4.738 5.680 1.00 33.24 H new ATOM 0 HB3 LYS A 113 26.404 -5.177 7.054 1.00 33.24 H new ATOM 0 HG2 LYS A 113 25.612 -7.587 6.630 1.00 41.43 H new ATOM 0 HG3 LYS A 113 25.036 -6.994 5.085 1.00 41.43 H new ATOM 0 HD2 LYS A 113 27.904 -7.014 6.113 1.00 1.22 H new ATOM 0 HD3 LYS A 113 27.257 -7.899 4.746 1.00 1.22 H new ATOM 0 HE2 LYS A 113 27.763 -4.901 4.927 1.00 53.32 H new ATOM 0 HE3 LYS A 113 28.588 -6.057 3.901 1.00 53.32 H new ATOM 0 HZ1 LYS A 113 27.107 -4.959 2.536 1.00 74.31 H new ATOM 0 HZ2 LYS A 113 26.348 -6.445 2.851 1.00 74.31 H new ATOM 0 HZ3 LYS A 113 25.835 -5.042 3.658 1.00 74.31 H new ATOM 1678 N ALA A 114 23.479 -3.039 7.547 1.00 50.10 N ATOM 1679 CA ALA A 114 23.462 -1.632 8.005 1.00 70.14 C ATOM 1680 C ALA A 114 22.931 -1.454 9.446 1.00 71.02 C ATOM 1681 O ALA A 114 22.634 -0.336 9.868 1.00 24.44 O ATOM 1682 CB ALA A 114 22.646 -0.793 7.044 1.00 34.43 C ATOM 0 H ALA A 114 22.790 -3.244 6.823 1.00 50.10 H new ATOM 0 HA ALA A 114 24.499 -1.297 8.019 1.00 70.14 H new ATOM 0 HB1 ALA A 114 22.635 0.243 7.384 1.00 34.43 H new ATOM 0 HB2 ALA A 114 23.089 -0.844 6.050 1.00 34.43 H new ATOM 0 HB3 ALA A 114 21.625 -1.173 7.006 1.00 34.43 H new ATOM 1688 N GLY A 115 22.844 -2.548 10.183 1.00 65.21 N ATOM 1689 CA GLY A 115 22.372 -2.519 11.559 1.00 30.21 C ATOM 1690 C GLY A 115 20.917 -2.116 11.685 1.00 64.33 C ATOM 1691 O GLY A 115 20.500 -1.575 12.708 1.00 44.22 O ATOM 0 H GLY A 115 23.097 -3.478 9.848 1.00 65.21 H new ATOM 0 HA2 GLY A 115 22.509 -3.505 12.004 1.00 30.21 H new ATOM 0 HA3 GLY A 115 22.985 -1.823 12.132 1.00 30.21 H new ATOM 1695 N MET A 116 20.144 -2.387 10.664 1.00 10.22 N ATOM 1696 CA MET A 116 18.748 -2.026 10.682 1.00 70.22 C ATOM 1697 C MET A 116 17.938 -3.156 11.276 1.00 42.04 C ATOM 1698 O MET A 116 18.350 -4.311 11.228 1.00 53.20 O ATOM 1699 CB MET A 116 18.240 -1.664 9.282 1.00 43.43 C ATOM 1700 CG MET A 116 18.925 -0.448 8.666 1.00 31.11 C ATOM 1701 SD MET A 116 18.275 -0.018 7.032 1.00 10.34 S ATOM 1702 CE MET A 116 16.577 0.411 7.426 1.00 32.54 C ATOM 0 H MET A 116 20.455 -2.855 9.813 1.00 10.22 H new ATOM 0 HA MET A 116 18.630 -1.138 11.303 1.00 70.22 H new ATOM 0 HB2 MET A 116 18.382 -2.520 8.623 1.00 43.43 H new ATOM 0 HB3 MET A 116 17.168 -1.476 9.334 1.00 43.43 H new ATOM 0 HG2 MET A 116 18.806 0.405 9.334 1.00 31.11 H new ATOM 0 HG3 MET A 116 19.994 -0.643 8.585 1.00 31.11 H new ATOM 0 HE1 MET A 116 16.154 1.005 6.615 1.00 32.54 H new ATOM 0 HE2 MET A 116 15.992 -0.500 7.552 1.00 32.54 H new ATOM 0 HE3 MET A 116 16.553 0.989 8.350 1.00 32.54 H new ATOM 1712 N SER A 117 16.817 -2.834 11.848 1.00 23.50 N ATOM 1713 CA SER A 117 15.989 -3.822 12.474 1.00 63.23 C ATOM 1714 C SER A 117 14.932 -4.365 11.472 1.00 20.22 C ATOM 1715 O SER A 117 14.510 -3.647 10.539 1.00 51.02 O ATOM 1716 CB SER A 117 15.385 -3.203 13.717 1.00 60.53 C ATOM 1717 OG SER A 117 16.418 -2.582 14.480 1.00 15.24 O ATOM 0 H SER A 117 16.451 -1.883 11.894 1.00 23.50 H new ATOM 0 HA SER A 117 16.571 -4.692 12.777 1.00 63.23 H new ATOM 0 HB2 SER A 117 14.628 -2.469 13.441 1.00 60.53 H new ATOM 0 HB3 SER A 117 14.886 -3.967 14.313 1.00 60.53 H new ATOM 0 HG SER A 117 16.032 -2.178 15.285 1.00 15.24 H new ATOM 1723 N ALA A 118 14.517 -5.616 11.687 1.00 50.50 N ATOM 1724 CA ALA A 118 13.671 -6.397 10.759 1.00 4.44 C ATOM 1725 C ALA A 118 12.411 -5.670 10.293 1.00 4.31 C ATOM 1726 O ALA A 118 12.108 -5.673 9.108 1.00 21.50 O ATOM 1727 CB ALA A 118 13.309 -7.737 11.383 1.00 51.34 C ATOM 0 H ALA A 118 14.762 -6.134 12.531 1.00 50.50 H new ATOM 0 HA ALA A 118 14.272 -6.548 9.862 1.00 4.44 H new ATOM 0 HB1 ALA A 118 12.686 -8.304 10.691 1.00 51.34 H new ATOM 0 HB2 ALA A 118 14.219 -8.298 11.594 1.00 51.34 H new ATOM 0 HB3 ALA A 118 12.762 -7.570 12.311 1.00 51.34 H new ATOM 1733 N GLU A 119 11.725 -5.013 11.217 1.00 4.31 N ATOM 1734 CA GLU A 119 10.462 -4.280 10.934 1.00 74.32 C ATOM 1735 C GLU A 119 10.711 -3.261 9.835 1.00 52.33 C ATOM 1736 O GLU A 119 9.883 -3.037 8.951 1.00 63.21 O ATOM 1737 CB GLU A 119 9.933 -3.471 12.164 1.00 75.43 C ATOM 1738 CG GLU A 119 10.441 -3.875 13.548 1.00 61.24 C ATOM 1739 CD GLU A 119 11.922 -3.629 13.692 1.00 43.04 C ATOM 1740 OE1 GLU A 119 12.355 -2.459 13.617 1.00 13.43 O ATOM 1741 OE2 GLU A 119 12.671 -4.621 13.772 1.00 31.40 O ATOM 0 H GLU A 119 12.015 -4.963 12.194 1.00 4.31 H new ATOM 0 HA GLU A 119 9.727 -5.037 10.658 1.00 74.32 H new ATOM 0 HB2 GLU A 119 10.182 -2.421 12.008 1.00 75.43 H new ATOM 0 HB3 GLU A 119 8.845 -3.543 12.171 1.00 75.43 H new ATOM 0 HG2 GLU A 119 9.903 -3.313 14.311 1.00 61.24 H new ATOM 0 HG3 GLU A 119 10.229 -4.930 13.720 1.00 61.24 H new ATOM 1748 N GLN A 120 11.878 -2.677 9.892 1.00 15.22 N ATOM 1749 CA GLN A 120 12.266 -1.651 8.989 1.00 73.41 C ATOM 1750 C GLN A 120 12.748 -2.265 7.687 1.00 1.42 C ATOM 1751 O GLN A 120 12.302 -1.869 6.608 1.00 23.41 O ATOM 1752 CB GLN A 120 13.337 -0.804 9.658 1.00 73.24 C ATOM 1753 CG GLN A 120 12.800 0.005 10.833 1.00 4.52 C ATOM 1754 CD GLN A 120 13.875 0.402 11.817 1.00 45.55 C ATOM 1755 OE1 GLN A 120 14.536 1.422 11.652 1.00 31.02 O ATOM 1756 NE2 GLN A 120 14.001 -0.351 12.882 1.00 23.53 N ATOM 0 H GLN A 120 12.591 -2.912 10.583 1.00 15.22 H new ATOM 0 HA GLN A 120 11.421 -1.008 8.743 1.00 73.41 H new ATOM 0 HB2 GLN A 120 14.142 -1.452 10.006 1.00 73.24 H new ATOM 0 HB3 GLN A 120 13.769 -0.125 8.923 1.00 73.24 H new ATOM 0 HG2 GLN A 120 12.311 0.903 10.455 1.00 4.52 H new ATOM 0 HG3 GLN A 120 12.039 -0.578 11.351 1.00 4.52 H new ATOM 0 HE21 GLN A 120 13.433 -1.192 12.982 1.00 23.53 H new ATOM 0 HE22 GLN A 120 14.667 -0.096 13.611 1.00 23.53 H new ATOM 1765 N ILE A 121 13.593 -3.280 7.799 1.00 34.40 N ATOM 1766 CA ILE A 121 14.171 -3.956 6.632 1.00 31.44 C ATOM 1767 C ILE A 121 13.071 -4.533 5.731 1.00 40.40 C ATOM 1768 O ILE A 121 13.137 -4.409 4.489 1.00 52.33 O ATOM 1769 CB ILE A 121 15.170 -5.075 7.045 1.00 45.00 C ATOM 1770 CG1 ILE A 121 16.267 -4.494 7.932 1.00 13.52 C ATOM 1771 CG2 ILE A 121 15.800 -5.725 5.811 1.00 73.31 C ATOM 1772 CD1 ILE A 121 17.287 -5.509 8.375 1.00 1.35 C ATOM 0 H ILE A 121 13.900 -3.661 8.694 1.00 34.40 H new ATOM 0 HA ILE A 121 14.726 -3.204 6.071 1.00 31.44 H new ATOM 0 HB ILE A 121 14.619 -5.836 7.598 1.00 45.00 H new ATOM 0 HG12 ILE A 121 16.774 -3.694 7.392 1.00 13.52 H new ATOM 0 HG13 ILE A 121 15.809 -4.043 8.813 1.00 13.52 H new ATOM 0 HG21 ILE A 121 16.495 -6.504 6.125 1.00 73.31 H new ATOM 0 HG22 ILE A 121 15.018 -6.164 5.192 1.00 73.31 H new ATOM 0 HG23 ILE A 121 16.337 -4.970 5.236 1.00 73.31 H new ATOM 0 HD11 ILE A 121 18.035 -5.023 9.002 1.00 1.35 H new ATOM 0 HD12 ILE A 121 16.793 -6.297 8.944 1.00 1.35 H new ATOM 0 HD13 ILE A 121 17.772 -5.943 7.501 1.00 1.35 H new ATOM 1784 N GLU A 122 12.036 -5.107 6.342 1.00 11.25 N ATOM 1785 CA GLU A 122 10.926 -5.631 5.572 1.00 65.05 C ATOM 1786 C GLU A 122 10.185 -4.524 4.880 1.00 1.34 C ATOM 1787 O GLU A 122 9.674 -4.724 3.799 1.00 61.40 O ATOM 1788 CB GLU A 122 9.937 -6.455 6.384 1.00 35.45 C ATOM 1789 CG GLU A 122 10.526 -7.642 7.102 1.00 12.34 C ATOM 1790 CD GLU A 122 11.544 -8.404 6.276 1.00 62.44 C ATOM 1791 OE1 GLU A 122 11.178 -9.051 5.282 1.00 1.02 O ATOM 1792 OE2 GLU A 122 12.756 -8.315 6.583 1.00 31.53 O ATOM 0 H GLU A 122 11.949 -5.217 7.352 1.00 11.25 H new ATOM 0 HA GLU A 122 11.381 -6.303 4.844 1.00 65.05 H new ATOM 0 HB2 GLU A 122 9.464 -5.804 7.119 1.00 35.45 H new ATOM 0 HB3 GLU A 122 9.150 -6.808 5.718 1.00 35.45 H new ATOM 0 HG2 GLU A 122 10.999 -7.302 8.023 1.00 12.34 H new ATOM 0 HG3 GLU A 122 9.722 -8.320 7.388 1.00 12.34 H new ATOM 1799 N TYR A 123 10.166 -3.327 5.477 1.00 44.14 N ATOM 1800 CA TYR A 123 9.479 -2.229 4.847 1.00 51.31 C ATOM 1801 C TYR A 123 10.261 -1.814 3.624 1.00 13.33 C ATOM 1802 O TYR A 123 9.690 -1.553 2.574 1.00 63.35 O ATOM 1803 CB TYR A 123 9.260 -1.026 5.797 1.00 4.40 C ATOM 1804 CG TYR A 123 8.630 0.170 5.092 1.00 61.54 C ATOM 1805 CD1 TYR A 123 7.251 0.263 4.913 1.00 1.53 C ATOM 1806 CD2 TYR A 123 9.425 1.180 4.563 1.00 62.20 C ATOM 1807 CE1 TYR A 123 6.693 1.329 4.224 1.00 14.41 C ATOM 1808 CE2 TYR A 123 8.875 2.241 3.889 1.00 23.45 C ATOM 1809 CZ TYR A 123 7.515 2.315 3.717 1.00 5.12 C ATOM 1810 OH TYR A 123 6.986 3.367 3.007 1.00 71.23 O ATOM 0 H TYR A 123 10.609 -3.111 6.370 1.00 44.14 H new ATOM 0 HA TYR A 123 8.482 -2.567 4.566 1.00 51.31 H new ATOM 0 HB2 TYR A 123 8.621 -1.333 6.625 1.00 4.40 H new ATOM 0 HB3 TYR A 123 10.217 -0.728 6.226 1.00 4.40 H new ATOM 0 HD1 TYR A 123 6.608 -0.506 5.316 1.00 1.53 H new ATOM 0 HD2 TYR A 123 10.497 1.129 4.685 1.00 62.20 H new ATOM 0 HE1 TYR A 123 5.624 1.387 4.085 1.00 14.41 H new ATOM 0 HE2 TYR A 123 9.512 3.018 3.494 1.00 23.45 H new ATOM 0 HH TYR A 123 7.708 3.968 2.726 1.00 71.23 H new ATOM 1820 N VAL A 124 11.574 -1.809 3.759 1.00 65.11 N ATOM 1821 CA VAL A 124 12.452 -1.459 2.661 1.00 24.50 C ATOM 1822 C VAL A 124 12.214 -2.418 1.490 1.00 55.41 C ATOM 1823 O VAL A 124 12.053 -1.996 0.369 1.00 24.43 O ATOM 1824 CB VAL A 124 13.944 -1.497 3.073 1.00 45.13 C ATOM 1825 CG1 VAL A 124 14.816 -1.041 1.926 1.00 15.51 C ATOM 1826 CG2 VAL A 124 14.196 -0.630 4.295 1.00 13.14 C ATOM 0 H VAL A 124 12.058 -2.045 4.625 1.00 65.11 H new ATOM 0 HA VAL A 124 12.220 -0.436 2.363 1.00 24.50 H new ATOM 0 HB VAL A 124 14.197 -2.526 3.326 1.00 45.13 H new ATOM 0 HG11 VAL A 124 15.862 -1.073 2.230 1.00 15.51 H new ATOM 0 HG12 VAL A 124 14.666 -1.700 1.071 1.00 15.51 H new ATOM 0 HG13 VAL A 124 14.549 -0.021 1.649 1.00 15.51 H new ATOM 0 HG21 VAL A 124 15.252 -0.676 4.562 1.00 13.14 H new ATOM 0 HG22 VAL A 124 13.922 0.401 4.072 1.00 13.14 H new ATOM 0 HG23 VAL A 124 13.595 -0.993 5.129 1.00 13.14 H new ATOM 1836 N LYS A 125 12.111 -3.696 1.789 1.00 24.23 N ATOM 1837 CA LYS A 125 11.845 -4.714 0.761 1.00 25.11 C ATOM 1838 C LYS A 125 10.390 -4.703 0.298 1.00 63.41 C ATOM 1839 O LYS A 125 10.034 -5.384 -0.651 1.00 64.10 O ATOM 1840 CB LYS A 125 12.232 -6.097 1.267 1.00 41.31 C ATOM 1841 CG LYS A 125 13.720 -6.244 1.493 1.00 72.54 C ATOM 1842 CD LYS A 125 14.089 -7.558 2.161 1.00 31.34 C ATOM 1843 CE LYS A 125 13.484 -7.645 3.543 1.00 14.02 C ATOM 1844 NZ LYS A 125 14.033 -8.759 4.337 1.00 0.51 N ATOM 0 H LYS A 125 12.206 -4.068 2.734 1.00 24.23 H new ATOM 0 HA LYS A 125 12.460 -4.466 -0.104 1.00 25.11 H new ATOM 0 HB2 LYS A 125 11.706 -6.298 2.200 1.00 41.31 H new ATOM 0 HB3 LYS A 125 11.903 -6.847 0.548 1.00 41.31 H new ATOM 0 HG2 LYS A 125 14.237 -6.171 0.536 1.00 72.54 H new ATOM 0 HG3 LYS A 125 14.072 -5.417 2.110 1.00 72.54 H new ATOM 0 HD2 LYS A 125 13.739 -8.392 1.552 1.00 31.34 H new ATOM 0 HD3 LYS A 125 15.173 -7.646 2.228 1.00 31.34 H new ATOM 0 HE2 LYS A 125 13.659 -6.708 4.071 1.00 14.02 H new ATOM 0 HE3 LYS A 125 12.404 -7.765 3.455 1.00 14.02 H new ATOM 0 HZ1 LYS A 125 13.919 -8.553 5.350 1.00 0.51 H new ATOM 0 HZ2 LYS A 125 13.525 -9.636 4.103 1.00 0.51 H new ATOM 0 HZ3 LYS A 125 15.043 -8.876 4.119 1.00 0.51 H new ATOM 1858 N ALA A 126 9.558 -3.955 0.989 1.00 33.22 N ATOM 1859 CA ALA A 126 8.167 -3.854 0.635 1.00 33.40 C ATOM 1860 C ALA A 126 7.938 -2.588 -0.202 1.00 11.22 C ATOM 1861 O ALA A 126 6.945 -2.459 -0.906 1.00 54.55 O ATOM 1862 CB ALA A 126 7.304 -3.871 1.904 1.00 3.32 C ATOM 0 H ALA A 126 9.828 -3.405 1.805 1.00 33.22 H new ATOM 0 HA ALA A 126 7.873 -4.710 0.028 1.00 33.40 H new ATOM 0 HB1 ALA A 126 6.252 -3.794 1.630 1.00 3.32 H new ATOM 0 HB2 ALA A 126 7.471 -4.802 2.445 1.00 3.32 H new ATOM 0 HB3 ALA A 126 7.575 -3.028 2.540 1.00 3.32 H new ATOM 1868 N ASN A 127 8.872 -1.656 -0.091 1.00 63.42 N ATOM 1869 CA ASN A 127 8.851 -0.408 -0.858 1.00 40.33 C ATOM 1870 C ASN A 127 9.689 -0.570 -2.127 1.00 71.22 C ATOM 1871 O ASN A 127 9.267 -0.203 -3.226 1.00 74.34 O ATOM 1872 CB ASN A 127 9.417 0.747 -0.002 1.00 42.53 C ATOM 1873 CG ASN A 127 9.438 2.100 -0.722 1.00 2.13 C ATOM 1874 OD1 ASN A 127 10.389 2.432 -1.417 1.00 62.04 O ATOM 1875 ND2 ASN A 127 8.424 2.905 -0.511 1.00 21.52 N ATOM 0 H ASN A 127 9.673 -1.739 0.536 1.00 63.42 H new ATOM 0 HA ASN A 127 7.822 -0.175 -1.133 1.00 40.33 H new ATOM 0 HB2 ASN A 127 8.821 0.839 0.906 1.00 42.53 H new ATOM 0 HB3 ASN A 127 10.432 0.495 0.306 1.00 42.53 H new ATOM 0 HD21 ASN A 127 8.415 3.835 -0.931 1.00 21.52 H new ATOM 0 HD22 ASN A 127 7.645 2.601 0.073 1.00 21.52 H new ATOM 1882 N LEU A 128 10.869 -1.134 -1.959 1.00 54.44 N ATOM 1883 CA LEU A 128 11.793 -1.357 -3.046 1.00 13.31 C ATOM 1884 C LEU A 128 11.441 -2.656 -3.743 1.00 12.02 C ATOM 1885 O LEU A 128 11.293 -3.687 -3.093 1.00 75.42 O ATOM 1886 CB LEU A 128 13.274 -1.383 -2.555 1.00 11.21 C ATOM 1887 CG LEU A 128 13.933 -0.041 -2.126 1.00 73.41 C ATOM 1888 CD1 LEU A 128 13.161 0.695 -1.043 1.00 55.05 C ATOM 1889 CD2 LEU A 128 15.327 -0.305 -1.641 1.00 34.10 C ATOM 0 H LEU A 128 11.214 -1.452 -1.053 1.00 54.44 H new ATOM 0 HA LEU A 128 11.704 -0.527 -3.747 1.00 13.31 H new ATOM 0 HB2 LEU A 128 13.331 -2.067 -1.708 1.00 11.21 H new ATOM 0 HB3 LEU A 128 13.881 -1.811 -3.353 1.00 11.21 H new ATOM 0 HG LEU A 128 13.935 0.602 -3.006 1.00 73.41 H new ATOM 0 HD11 LEU A 128 13.678 1.621 -0.793 1.00 55.05 H new ATOM 0 HD12 LEU A 128 12.158 0.925 -1.403 1.00 55.05 H new ATOM 0 HD13 LEU A 128 13.092 0.067 -0.155 1.00 55.05 H new ATOM 0 HD21 LEU A 128 15.791 0.634 -1.340 1.00 34.10 H new ATOM 0 HD22 LEU A 128 15.293 -0.983 -0.788 1.00 34.10 H new ATOM 0 HD23 LEU A 128 15.911 -0.758 -2.442 1.00 34.10 H new ATOM 1901 N PRO A 129 11.302 -2.636 -5.069 1.00 55.54 N ATOM 1902 CA PRO A 129 10.900 -3.796 -5.810 1.00 54.35 C ATOM 1903 C PRO A 129 12.053 -4.756 -6.034 1.00 63.22 C ATOM 1904 O PRO A 129 13.247 -4.367 -5.965 1.00 71.21 O ATOM 1905 CB PRO A 129 10.403 -3.218 -7.138 1.00 24.33 C ATOM 1906 CG PRO A 129 11.176 -1.959 -7.325 1.00 15.03 C ATOM 1907 CD PRO A 129 11.567 -1.482 -5.949 1.00 44.31 C ATOM 0 HA PRO A 129 10.145 -4.380 -5.284 1.00 54.35 H new ATOM 0 HB2 PRO A 129 10.576 -3.913 -7.960 1.00 24.33 H new ATOM 0 HB3 PRO A 129 9.331 -3.022 -7.106 1.00 24.33 H new ATOM 0 HG2 PRO A 129 12.059 -2.135 -7.939 1.00 15.03 H new ATOM 0 HG3 PRO A 129 10.575 -1.209 -7.838 1.00 15.03 H new ATOM 0 HD2 PRO A 129 12.616 -1.189 -5.914 1.00 44.31 H new ATOM 0 HD3 PRO A 129 10.983 -0.612 -5.650 1.00 44.31 H new ATOM 1915 N GLN A 130 11.704 -5.996 -6.294 1.00 21.42 N ATOM 1916 CA GLN A 130 12.668 -7.019 -6.543 1.00 3.50 C ATOM 1917 C GLN A 130 13.354 -6.736 -7.873 1.00 52.40 C ATOM 1918 O GLN A 130 12.728 -6.723 -8.933 1.00 32.01 O ATOM 1919 CB GLN A 130 12.009 -8.395 -6.549 1.00 53.24 C ATOM 1920 CG GLN A 130 12.998 -9.548 -6.571 1.00 22.13 C ATOM 1921 CD GLN A 130 12.325 -10.901 -6.675 1.00 71.13 C ATOM 1922 OE1 GLN A 130 11.210 -11.096 -6.215 1.00 52.44 O ATOM 1923 NE2 GLN A 130 12.998 -11.846 -7.277 1.00 11.43 N ATOM 0 H GLN A 130 10.736 -6.315 -6.337 1.00 21.42 H new ATOM 0 HA GLN A 130 13.412 -7.020 -5.747 1.00 3.50 H new ATOM 0 HB2 GLN A 130 11.376 -8.488 -5.667 1.00 53.24 H new ATOM 0 HB3 GLN A 130 11.357 -8.471 -7.419 1.00 53.24 H new ATOM 0 HG2 GLN A 130 13.678 -9.421 -7.413 1.00 22.13 H new ATOM 0 HG3 GLN A 130 13.603 -9.518 -5.665 1.00 22.13 H new ATOM 0 HE21 GLN A 130 13.927 -11.652 -7.651 1.00 11.43 H new ATOM 0 HE22 GLN A 130 12.594 -12.778 -7.373 1.00 11.43 H new ATOM 1973 N GLY A 134 18.918 -7.811 -7.067 1.00 41.40 N ATOM 1974 CA GLY A 134 18.536 -7.707 -5.669 1.00 33.04 C ATOM 1975 C GLY A 134 17.358 -6.766 -5.424 1.00 71.02 C ATOM 1976 O GLY A 134 16.216 -7.134 -5.654 1.00 13.01 O ATOM 0 HA2 GLY A 134 18.281 -8.699 -5.296 1.00 33.04 H new ATOM 0 HA3 GLY A 134 19.393 -7.360 -5.092 1.00 33.04 H new ATOM 1980 N TYR A 135 17.626 -5.568 -4.962 1.00 74.52 N ATOM 1981 CA TYR A 135 16.583 -4.595 -4.630 1.00 55.42 C ATOM 1982 C TYR A 135 16.942 -3.236 -5.188 1.00 44.11 C ATOM 1983 O TYR A 135 18.045 -2.744 -4.968 1.00 53.24 O ATOM 1984 CB TYR A 135 16.391 -4.519 -3.101 1.00 1.41 C ATOM 1985 CG TYR A 135 15.883 -5.807 -2.503 1.00 53.44 C ATOM 1986 CD1 TYR A 135 14.628 -6.304 -2.842 1.00 60.32 C ATOM 1987 CD2 TYR A 135 16.663 -6.538 -1.621 1.00 65.41 C ATOM 1988 CE1 TYR A 135 14.170 -7.496 -2.320 1.00 12.43 C ATOM 1989 CE2 TYR A 135 16.212 -7.726 -1.091 1.00 22.12 C ATOM 1990 CZ TYR A 135 14.967 -8.203 -1.443 1.00 65.11 C ATOM 1991 OH TYR A 135 14.522 -9.391 -0.911 1.00 41.34 O ATOM 0 H TYR A 135 18.574 -5.228 -4.801 1.00 74.52 H new ATOM 0 HA TYR A 135 15.644 -4.918 -5.080 1.00 55.42 H new ATOM 0 HB2 TYR A 135 17.341 -4.259 -2.634 1.00 1.41 H new ATOM 0 HB3 TYR A 135 15.691 -3.717 -2.868 1.00 1.41 H new ATOM 0 HD1 TYR A 135 14.003 -5.748 -3.525 1.00 60.32 H new ATOM 0 HD2 TYR A 135 17.640 -6.170 -1.345 1.00 65.41 H new ATOM 0 HE1 TYR A 135 13.196 -7.873 -2.595 1.00 12.43 H new ATOM 0 HE2 TYR A 135 16.831 -8.282 -0.402 1.00 22.12 H new ATOM 0 HH TYR A 135 15.206 -9.759 -0.314 1.00 41.34 H new ATOM 2001 N ASP A 136 16.031 -2.637 -5.909 1.00 31.43 N ATOM 2002 CA ASP A 136 16.289 -1.346 -6.545 1.00 50.41 C ATOM 2003 C ASP A 136 16.070 -0.224 -5.545 1.00 43.43 C ATOM 2004 O ASP A 136 14.929 0.155 -5.262 1.00 33.13 O ATOM 2005 CB ASP A 136 15.375 -1.151 -7.764 1.00 31.44 C ATOM 2006 CG ASP A 136 15.683 0.111 -8.548 1.00 15.44 C ATOM 2007 OD1 ASP A 136 16.492 0.041 -9.468 1.00 14.43 O ATOM 2008 OD2 ASP A 136 15.089 1.178 -8.255 1.00 22.12 O ATOM 0 H ASP A 136 15.098 -3.013 -6.078 1.00 31.43 H new ATOM 0 HA ASP A 136 17.325 -1.326 -6.884 1.00 50.41 H new ATOM 0 HB2 ASP A 136 15.472 -2.013 -8.424 1.00 31.44 H new ATOM 0 HB3 ASP A 136 14.338 -1.119 -7.431 1.00 31.44 H new ATOM 2013 N TYR A 137 17.157 0.327 -4.997 1.00 20.11 N ATOM 2014 CA TYR A 137 17.007 1.354 -3.960 1.00 51.12 C ATOM 2015 C TYR A 137 16.548 2.652 -4.554 1.00 70.35 C ATOM 2016 O TYR A 137 16.092 3.553 -3.849 1.00 22.22 O ATOM 2017 CB TYR A 137 18.261 1.555 -3.078 1.00 33.11 C ATOM 2018 CG TYR A 137 19.394 2.338 -3.702 1.00 64.21 C ATOM 2019 CD1 TYR A 137 19.440 3.732 -3.599 1.00 74.04 C ATOM 2020 CD2 TYR A 137 20.416 1.705 -4.364 1.00 62.13 C ATOM 2021 CE1 TYR A 137 20.468 4.456 -4.148 1.00 44.41 C ATOM 2022 CE2 TYR A 137 21.453 2.423 -4.910 1.00 53.24 C ATOM 2023 CZ TYR A 137 21.476 3.798 -4.801 1.00 2.15 C ATOM 2024 OH TYR A 137 22.511 4.508 -5.349 1.00 65.40 O ATOM 0 H TYR A 137 18.119 0.091 -5.242 1.00 20.11 H new ATOM 0 HA TYR A 137 16.238 0.979 -3.285 1.00 51.12 H new ATOM 0 HB2 TYR A 137 17.958 2.061 -2.161 1.00 33.11 H new ATOM 0 HB3 TYR A 137 18.639 0.574 -2.791 1.00 33.11 H new ATOM 0 HD1 TYR A 137 18.649 4.250 -3.076 1.00 74.04 H new ATOM 0 HD2 TYR A 137 20.405 0.629 -4.457 1.00 62.13 H new ATOM 0 HE1 TYR A 137 20.482 5.533 -4.066 1.00 44.41 H new ATOM 0 HE2 TYR A 137 22.251 1.910 -5.425 1.00 53.24 H new ATOM 0 HH TYR A 137 23.055 3.915 -5.908 1.00 65.40 H new ATOM 2034 N ALA A 138 16.622 2.733 -5.862 1.00 54.20 N ATOM 2035 CA ALA A 138 16.187 3.891 -6.555 1.00 0.31 C ATOM 2036 C ALA A 138 14.662 3.957 -6.572 1.00 24.34 C ATOM 2037 O ALA A 138 14.098 4.915 -7.065 1.00 24.34 O ATOM 2038 CB ALA A 138 16.761 3.937 -7.961 1.00 23.15 C ATOM 0 H ALA A 138 16.987 1.992 -6.461 1.00 54.20 H new ATOM 0 HA ALA A 138 16.558 4.769 -6.026 1.00 0.31 H new ATOM 0 HB1 ALA A 138 16.410 4.836 -8.468 1.00 23.15 H new ATOM 0 HB2 ALA A 138 17.850 3.951 -7.909 1.00 23.15 H new ATOM 0 HB3 ALA A 138 16.436 3.057 -8.516 1.00 23.15 H new ATOM 2044 N ALA A 139 13.997 2.913 -6.044 1.00 65.54 N ATOM 2045 CA ALA A 139 12.539 2.886 -5.892 1.00 3.14 C ATOM 2046 C ALA A 139 12.054 4.163 -5.267 1.00 22.14 C ATOM 2047 O ALA A 139 11.231 4.873 -5.838 1.00 12.54 O ATOM 2048 CB ALA A 139 12.133 1.735 -5.007 1.00 45.00 C ATOM 0 H ALA A 139 14.460 2.067 -5.712 1.00 65.54 H new ATOM 0 HA ALA A 139 12.096 2.770 -6.881 1.00 3.14 H new ATOM 0 HB1 ALA A 139 11.048 1.723 -4.900 1.00 45.00 H new ATOM 0 HB2 ALA A 139 12.464 0.798 -5.454 1.00 45.00 H new ATOM 0 HB3 ALA A 139 12.593 1.851 -4.026 1.00 45.00 H new ATOM 2054 N TRP A 140 12.671 4.473 -4.148 1.00 42.24 N ATOM 2055 CA TRP A 140 12.361 5.619 -3.336 1.00 42.11 C ATOM 2056 C TRP A 140 12.482 6.941 -4.131 1.00 74.31 C ATOM 2057 O TRP A 140 11.655 7.830 -3.998 1.00 43.01 O ATOM 2058 CB TRP A 140 13.313 5.616 -2.120 1.00 61.21 C ATOM 2059 CG TRP A 140 13.130 6.755 -1.162 1.00 73.21 C ATOM 2060 CD1 TRP A 140 12.265 6.813 -0.106 1.00 70.43 C ATOM 2061 CD2 TRP A 140 13.840 7.996 -1.171 1.00 44.53 C ATOM 2062 NE1 TRP A 140 12.392 8.016 0.537 1.00 52.41 N ATOM 2063 CE2 TRP A 140 13.354 8.764 -0.100 1.00 55.50 C ATOM 2064 CE3 TRP A 140 14.842 8.531 -1.991 1.00 74.31 C ATOM 2065 CZ2 TRP A 140 13.837 10.043 0.174 1.00 73.21 C ATOM 2066 CZ3 TRP A 140 15.315 9.795 -1.718 1.00 43.01 C ATOM 2067 CH2 TRP A 140 14.815 10.538 -0.644 1.00 34.22 C ATOM 0 H TRP A 140 13.431 3.909 -3.768 1.00 42.24 H new ATOM 0 HA TRP A 140 11.325 5.556 -3.005 1.00 42.11 H new ATOM 0 HB2 TRP A 140 13.179 4.681 -1.577 1.00 61.21 H new ATOM 0 HB3 TRP A 140 14.341 5.630 -2.483 1.00 61.21 H new ATOM 0 HD1 TRP A 140 11.582 6.027 0.180 1.00 70.43 H new ATOM 0 HE1 TRP A 140 11.859 8.309 1.356 1.00 52.41 H new ATOM 0 HE3 TRP A 140 15.236 7.963 -2.821 1.00 74.31 H new ATOM 0 HZ2 TRP A 140 13.453 10.621 1.001 1.00 73.21 H new ATOM 0 HZ3 TRP A 140 16.086 10.220 -2.344 1.00 43.01 H new ATOM 0 HH2 TRP A 140 15.210 11.525 -0.456 1.00 34.22 H new