USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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 96 HIS : no HD1:sc= -0.778 K(o=-0.46,f=-3) USER MOD Set 1.2: A 99 THR OG1 : rot -130:sc= 0.313 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 163:sc= 2.36 (180deg=1.04) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.674 USER MOD Set 2.3: A 95 CYS SG : rot -163:sc= 1.06 USER MOD Set 3.1: A 44 SER OG : rot -65:sc= 1.27 USER MOD Set 3.2: A 58 HIS : no HD1:sc= 1.1 K(o=2.4,f=-2) USER MOD Set 4.1: A 6 TYR OH : rot 9:sc= 0.261 USER MOD Set 4.2: A 41 TYR OH : rot 164:sc= 0.148 USER MOD Set 5.1: A 28 THR OG1 : rot 77:sc= 1.03 USER MOD Set 5.2: A 100 ASN : amide:sc= 0.801 K(o=1.8,f=-0.57!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 151:sc= 1.26 (180deg=1.15) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0.829) USER MOD Single : A 11 THR OG1 : rot -79:sc= 1.01 USER MOD Single : A 15 SER OG : rot -74:sc= 1.51 USER MOD Single : A 21 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.9!) USER MOD Single : A 24 ASN : amide:sc= 0.151 K(o=0.15,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc=-0.00129 (180deg=-0.0825) USER MOD Single : A 42 CYS SG : rot -170:sc= 0.0293 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.2!) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= 0.554 (180deg=-0.155) USER MOD Single : A 55 ASN : amide:sc= -2.25! K(o=-2.2!,f=-0.23) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0372 (180deg=-0.217) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.0807 (180deg=-0.367) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0623 USER MOD Single : A 75 THR OG1 : rot 134:sc= 0.616 USER MOD Single : A 76 GLN : amide:sc= -1.86! C(o=-1.9!,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0433 X(o=-0.043,f=-0.073) USER MOD Single : A 82 GLN : amide:sc= -0.371 K(o=-0.37,f=-1.6) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 36:sc= 0.205 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 102 CYS SG : rot -49:sc= -0.911 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.0283 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.748 -7.939 -13.896 1.00 0.00 N ATOM 2 CA GLN A 1 2.714 -7.124 -14.580 1.00 0.00 C ATOM 3 C GLN A 1 2.041 -6.195 -13.578 1.00 0.00 C ATOM 4 O GLN A 1 1.841 -6.578 -12.426 1.00 0.00 O ATOM 5 CB GLN A 1 1.660 -8.022 -15.244 1.00 0.00 C ATOM 6 CG GLN A 1 0.827 -8.833 -14.262 1.00 0.00 C ATOM 7 CD GLN A 1 -0.368 -9.498 -14.919 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.443 -8.908 -15.014 1.00 0.00 O ATOM 9 NE2 GLN A 1 -0.194 -10.731 -15.363 1.00 0.00 N ATOM 0 H1 GLN A 1 3.852 -8.850 -14.386 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.656 -7.432 -13.911 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.462 -8.107 -12.910 1.00 0.00 H new ATOM 0 HA GLN A 1 3.201 -6.532 -15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.994 -7.401 -15.842 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.161 -8.705 -15.930 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.455 -9.596 -13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.480 -8.181 -13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.714 -11.185 -15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.968 -11.228 -15.804 1.00 0.00 H new ATOM 20 N ALA A 2 1.709 -4.979 -14.022 1.00 0.00 N ATOM 21 CA ALA A 2 1.031 -3.991 -13.179 1.00 0.00 C ATOM 22 C ALA A 2 1.828 -3.731 -11.905 1.00 0.00 C ATOM 23 O ALA A 2 1.465 -4.186 -10.824 1.00 0.00 O ATOM 24 CB ALA A 2 -0.389 -4.440 -12.852 1.00 0.00 C ATOM 0 H ALA A 2 1.901 -4.654 -14.969 1.00 0.00 H new ATOM 0 HA ALA A 2 0.968 -3.056 -13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.872 -3.691 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.955 -4.560 -13.776 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.357 -5.391 -12.321 1.00 0.00 H new ATOM 30 N GLU A 3 2.917 -2.993 -12.048 1.00 0.00 N ATOM 31 CA GLU A 3 3.845 -2.765 -10.951 1.00 0.00 C ATOM 32 C GLU A 3 4.114 -1.276 -10.762 1.00 0.00 C ATOM 33 O GLU A 3 3.210 -0.461 -10.940 1.00 0.00 O ATOM 34 CB GLU A 3 5.130 -3.534 -11.215 1.00 0.00 C ATOM 35 CG GLU A 3 4.924 -5.041 -11.221 1.00 0.00 C ATOM 36 CD GLU A 3 6.002 -5.787 -11.971 1.00 0.00 C ATOM 37 OE1 GLU A 3 7.138 -5.873 -11.464 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.712 -6.298 -13.074 1.00 0.00 O ATOM 0 H GLU A 3 3.182 -2.538 -12.921 1.00 0.00 H new ATOM 0 HA GLU A 3 3.402 -3.128 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.543 -3.224 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.866 -3.275 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.891 -5.401 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.956 -5.267 -11.669 1.00 0.00 H new ATOM 45 N GLU A 4 5.356 -0.940 -10.401 1.00 0.00 N ATOM 46 CA GLU A 4 5.752 0.413 -10.005 1.00 0.00 C ATOM 47 C GLU A 4 5.229 0.730 -8.611 1.00 0.00 C ATOM 48 O GLU A 4 5.966 1.212 -7.755 1.00 0.00 O ATOM 49 CB GLU A 4 5.287 1.439 -11.026 1.00 0.00 C ATOM 50 CG GLU A 4 6.210 1.560 -12.221 1.00 0.00 C ATOM 51 CD GLU A 4 5.680 2.507 -13.272 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.823 2.091 -14.080 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.120 3.675 -13.299 1.00 0.00 O ATOM 0 H GLU A 4 6.125 -1.610 -10.376 1.00 0.00 H new ATOM 0 HA GLU A 4 6.840 0.461 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.289 1.169 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.204 2.411 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.188 1.906 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.355 0.575 -12.665 1.00 0.00 H new ATOM 60 N TRP A 5 3.957 0.449 -8.390 1.00 0.00 N ATOM 61 CA TRP A 5 3.400 0.452 -7.048 1.00 0.00 C ATOM 62 C TRP A 5 3.554 -0.940 -6.461 1.00 0.00 C ATOM 63 O TRP A 5 3.772 -1.115 -5.263 1.00 0.00 O ATOM 64 CB TRP A 5 1.925 0.888 -7.054 1.00 0.00 C ATOM 65 CG TRP A 5 1.186 0.529 -8.310 1.00 0.00 C ATOM 66 CD1 TRP A 5 1.074 1.295 -9.436 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.453 -0.673 -8.569 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.330 0.637 -10.381 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.068 -0.570 -9.873 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.186 -1.825 -7.828 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.834 -1.578 -10.451 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.576 -2.823 -8.401 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.079 -2.694 -9.701 1.00 0.00 C ATOM 0 H TRP A 5 3.289 0.215 -9.124 1.00 0.00 H new ATOM 0 HA TRP A 5 3.939 1.174 -6.434 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.419 0.431 -6.204 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.876 1.968 -6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.508 2.276 -9.563 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.109 0.990 -11.312 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.569 -1.934 -6.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.220 -1.482 -11.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.788 -3.719 -7.837 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.673 -3.493 -10.120 1.00 0.00 H new ATOM 84 N TYR A 6 3.466 -1.922 -7.346 1.00 0.00 N ATOM 85 CA TYR A 6 3.587 -3.326 -6.994 1.00 0.00 C ATOM 86 C TYR A 6 5.059 -3.697 -6.845 1.00 0.00 C ATOM 87 O TYR A 6 5.732 -4.008 -7.827 1.00 0.00 O ATOM 88 CB TYR A 6 2.946 -4.157 -8.107 1.00 0.00 C ATOM 89 CG TYR A 6 2.500 -5.553 -7.725 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.416 -6.535 -7.379 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.154 -5.896 -7.765 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.006 -7.822 -7.087 1.00 0.00 C ATOM 93 CE2 TYR A 6 0.734 -7.174 -7.463 1.00 0.00 C ATOM 94 CZ TYR A 6 1.664 -8.136 -7.128 1.00 0.00 C ATOM 95 OH TYR A 6 1.251 -9.420 -6.857 1.00 0.00 O ATOM 0 H TYR A 6 3.307 -1.762 -8.341 1.00 0.00 H new ATOM 0 HA TYR A 6 3.084 -3.522 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.081 -3.613 -8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.658 -4.237 -8.928 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.467 -6.290 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.424 -5.148 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.733 -8.578 -6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.317 -7.420 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 6 2.008 -9.943 -6.519 1.00 0.00 H new ATOM 105 N PHE A 7 5.558 -3.640 -5.622 1.00 0.00 N ATOM 106 CA PHE A 7 6.959 -3.950 -5.355 1.00 0.00 C ATOM 107 C PHE A 7 7.162 -5.447 -5.155 1.00 0.00 C ATOM 108 O PHE A 7 8.292 -5.938 -5.153 1.00 0.00 O ATOM 109 CB PHE A 7 7.455 -3.174 -4.135 1.00 0.00 C ATOM 110 CG PHE A 7 7.825 -1.749 -4.431 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.849 -0.778 -4.573 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.154 -1.382 -4.567 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.190 0.533 -4.845 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.502 -0.073 -4.838 1.00 0.00 C ATOM 115 CZ PHE A 7 8.519 0.885 -4.977 1.00 0.00 C ATOM 0 H PHE A 7 5.017 -3.383 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 7 7.543 -3.645 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.680 -3.186 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.323 -3.686 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.808 -1.048 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.927 -2.128 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.419 1.281 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.542 0.200 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.788 1.909 -5.189 1.00 0.00 H new ATOM 125 N GLY A 8 6.063 -6.166 -4.983 1.00 0.00 N ATOM 126 CA GLY A 8 6.133 -7.608 -4.864 1.00 0.00 C ATOM 127 C GLY A 8 6.436 -8.062 -3.453 1.00 0.00 C ATOM 128 O GLY A 8 6.147 -7.350 -2.491 1.00 0.00 O ATOM 0 H GLY A 8 5.122 -5.776 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.186 -8.042 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.902 -7.987 -5.537 1.00 0.00 H new ATOM 132 N LYS A 9 7.039 -9.235 -3.332 1.00 0.00 N ATOM 133 CA LYS A 9 7.313 -9.841 -2.032 1.00 0.00 C ATOM 134 C LYS A 9 8.585 -9.277 -1.399 1.00 0.00 C ATOM 135 O LYS A 9 9.491 -10.026 -1.024 1.00 0.00 O ATOM 136 CB LYS A 9 7.427 -11.362 -2.172 1.00 0.00 C ATOM 137 CG LYS A 9 6.087 -12.063 -2.336 1.00 0.00 C ATOM 138 CD LYS A 9 6.260 -13.525 -2.706 1.00 0.00 C ATOM 139 CE LYS A 9 6.743 -13.677 -4.139 1.00 0.00 C ATOM 140 NZ LYS A 9 5.709 -13.247 -5.121 1.00 0.00 N ATOM 0 H LYS A 9 7.352 -9.794 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 9 6.479 -9.598 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.055 -11.593 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.931 -11.762 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.521 -11.987 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.504 -11.559 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.974 -13.992 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.312 -14.049 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.648 -13.086 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.009 -14.718 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.963 -13.595 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.785 -13.637 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.656 -12.208 -5.137 1.00 0.00 H new ATOM 154 N ILE A 10 8.650 -7.958 -1.282 1.00 0.00 N ATOM 155 CA ILE A 10 9.746 -7.315 -0.580 1.00 0.00 C ATOM 156 C ILE A 10 9.527 -7.440 0.917 1.00 0.00 C ATOM 157 O ILE A 10 8.398 -7.327 1.401 1.00 0.00 O ATOM 158 CB ILE A 10 9.892 -5.825 -0.956 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.584 -5.068 -0.711 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.334 -5.683 -2.402 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.698 -3.581 -0.955 1.00 0.00 C ATOM 0 H ILE A 10 7.957 -7.315 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 10 10.666 -7.818 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 10 10.658 -5.386 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.809 -5.477 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.262 -5.237 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.432 -4.626 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.295 -6.179 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.593 -6.142 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.736 -3.106 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.450 -3.159 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.990 -3.403 -1.990 1.00 0.00 H new ATOM 173 N THR A 11 10.605 -7.675 1.644 1.00 0.00 N ATOM 174 CA THR A 11 10.523 -7.909 3.072 1.00 0.00 C ATOM 175 C THR A 11 10.148 -6.635 3.820 1.00 0.00 C ATOM 176 O THR A 11 10.246 -5.528 3.272 1.00 0.00 O ATOM 177 CB THR A 11 11.860 -8.443 3.618 1.00 0.00 C ATOM 178 OG1 THR A 11 12.916 -7.522 3.309 1.00 0.00 O ATOM 179 CG2 THR A 11 12.184 -9.805 3.019 1.00 0.00 C ATOM 0 H THR A 11 11.551 -7.709 1.265 1.00 0.00 H new ATOM 0 HA THR A 11 9.745 -8.655 3.232 1.00 0.00 H new ATOM 0 HB THR A 11 11.770 -8.549 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.188 -7.637 2.375 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.133 -10.162 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.394 -10.512 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.258 -9.718 1.935 1.00 0.00 H new ATOM 187 N ARG A 12 9.718 -6.791 5.070 1.00 0.00 N ATOM 188 CA ARG A 12 9.399 -5.647 5.919 1.00 0.00 C ATOM 189 C ARG A 12 10.612 -4.730 6.043 1.00 0.00 C ATOM 190 O ARG A 12 10.482 -3.510 6.139 1.00 0.00 O ATOM 191 CB ARG A 12 8.960 -6.106 7.316 1.00 0.00 C ATOM 192 CG ARG A 12 10.051 -6.822 8.098 1.00 0.00 C ATOM 193 CD ARG A 12 9.688 -6.962 9.564 1.00 0.00 C ATOM 194 NE ARG A 12 8.478 -7.753 9.755 1.00 0.00 N ATOM 195 CZ ARG A 12 7.867 -7.907 10.933 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.314 -7.263 12.004 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.795 -8.686 11.028 1.00 0.00 N ATOM 0 H ARG A 12 9.583 -7.698 5.517 1.00 0.00 H new ATOM 0 HA ARG A 12 8.576 -5.102 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.628 -5.238 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.101 -6.770 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.219 -7.810 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.987 -6.271 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.515 -7.429 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.546 -5.972 9.998 1.00 0.00 H new ATOM 0 HE ARG A 12 8.074 -8.216 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.125 -6.649 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.846 -7.382 12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.439 -9.166 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.328 -8.804 11.927 1.00 0.00 H new ATOM 211 N ARG A 13 11.790 -5.343 6.016 1.00 0.00 N ATOM 212 CA ARG A 13 13.047 -4.626 6.142 1.00 0.00 C ATOM 213 C ARG A 13 13.202 -3.623 5.003 1.00 0.00 C ATOM 214 O ARG A 13 13.492 -2.451 5.227 1.00 0.00 O ATOM 215 CB ARG A 13 14.207 -5.626 6.129 1.00 0.00 C ATOM 216 CG ARG A 13 15.577 -5.006 6.355 1.00 0.00 C ATOM 217 CD ARG A 13 16.680 -6.047 6.227 1.00 0.00 C ATOM 218 NE ARG A 13 16.490 -7.165 7.151 1.00 0.00 N ATOM 219 CZ ARG A 13 16.705 -8.443 6.835 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.122 -8.773 5.618 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.482 -9.390 7.735 1.00 0.00 N ATOM 0 H ARG A 13 11.897 -6.351 5.906 1.00 0.00 H new ATOM 0 HA ARG A 13 13.054 -4.078 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.031 -6.377 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.211 -6.146 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.741 -4.207 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.615 -4.552 7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.707 -6.423 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.645 -5.578 6.419 1.00 0.00 H new ATOM 0 HE ARG A 13 16.173 -6.954 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.280 -8.047 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.285 -9.752 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.147 -9.140 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.645 -10.368 7.497 1.00 0.00 H new ATOM 235 N GLU A 14 12.977 -4.098 3.787 1.00 0.00 N ATOM 236 CA GLU A 14 13.127 -3.279 2.592 1.00 0.00 C ATOM 237 C GLU A 14 12.062 -2.185 2.531 1.00 0.00 C ATOM 238 O GLU A 14 12.378 -0.998 2.478 1.00 0.00 O ATOM 239 CB GLU A 14 13.018 -4.163 1.350 1.00 0.00 C ATOM 240 CG GLU A 14 14.063 -5.265 1.290 1.00 0.00 C ATOM 241 CD GLU A 14 13.710 -6.348 0.291 1.00 0.00 C ATOM 242 OE1 GLU A 14 14.010 -6.183 -0.907 1.00 0.00 O ATOM 243 OE2 GLU A 14 13.129 -7.373 0.707 1.00 0.00 O ATOM 0 H GLU A 14 12.686 -5.058 3.600 1.00 0.00 H new ATOM 0 HA GLU A 14 14.106 -2.802 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.026 -4.614 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.110 -3.539 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.028 -4.832 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.174 -5.710 2.279 1.00 0.00 H new ATOM 250 N SER A 15 10.805 -2.606 2.563 1.00 0.00 N ATOM 251 CA SER A 15 9.676 -1.710 2.345 1.00 0.00 C ATOM 252 C SER A 15 9.583 -0.605 3.397 1.00 0.00 C ATOM 253 O SER A 15 9.514 0.580 3.066 1.00 0.00 O ATOM 254 CB SER A 15 8.382 -2.527 2.320 1.00 0.00 C ATOM 255 OG SER A 15 8.371 -3.498 3.358 1.00 0.00 O ATOM 0 H SER A 15 10.539 -3.575 2.740 1.00 0.00 H new ATOM 0 HA SER A 15 9.830 -1.214 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.526 -1.862 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.279 -3.021 1.354 1.00 0.00 H new ATOM 0 HG SER A 15 8.982 -4.229 3.129 1.00 0.00 H new ATOM 261 N GLU A 16 9.595 -0.988 4.660 1.00 0.00 N ATOM 262 CA GLU A 16 9.357 -0.039 5.734 1.00 0.00 C ATOM 263 C GLU A 16 10.554 0.872 5.969 1.00 0.00 C ATOM 264 O GLU A 16 10.387 2.019 6.377 1.00 0.00 O ATOM 265 CB GLU A 16 8.965 -0.783 7.007 1.00 0.00 C ATOM 266 CG GLU A 16 7.591 -1.424 6.898 1.00 0.00 C ATOM 267 CD GLU A 16 7.302 -2.411 8.006 1.00 0.00 C ATOM 268 OE1 GLU A 16 7.162 -1.985 9.171 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.205 -3.617 7.711 1.00 0.00 O ATOM 0 H GLU A 16 9.766 -1.945 4.968 1.00 0.00 H new ATOM 0 HA GLU A 16 8.531 0.607 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.707 -1.553 7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.975 -0.090 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.831 -0.643 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.510 -1.933 5.937 1.00 0.00 H new ATOM 276 N ARG A 17 11.759 0.390 5.688 1.00 0.00 N ATOM 277 CA ARG A 17 12.948 1.211 5.888 1.00 0.00 C ATOM 278 C ARG A 17 12.971 2.351 4.872 1.00 0.00 C ATOM 279 O ARG A 17 13.496 3.430 5.147 1.00 0.00 O ATOM 280 CB ARG A 17 14.224 0.373 5.782 1.00 0.00 C ATOM 281 CG ARG A 17 15.449 1.059 6.369 1.00 0.00 C ATOM 282 CD ARG A 17 15.227 1.405 7.833 1.00 0.00 C ATOM 283 NE ARG A 17 16.379 2.077 8.431 1.00 0.00 N ATOM 284 CZ ARG A 17 16.288 3.074 9.310 1.00 0.00 C ATOM 285 NH1 ARG A 17 15.097 3.513 9.704 1.00 0.00 N ATOM 286 NH2 ARG A 17 17.389 3.626 9.799 1.00 0.00 N ATOM 0 H ARG A 17 11.938 -0.547 5.328 1.00 0.00 H new ATOM 0 HA ARG A 17 12.909 1.631 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.069 -0.577 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.413 0.144 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.317 0.407 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.668 1.966 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.350 2.046 7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.013 0.493 8.390 1.00 0.00 H new ATOM 0 HE ARG A 17 17.310 1.763 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.248 3.086 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.032 4.277 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.304 3.287 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.321 4.389 10.472 1.00 0.00 H new ATOM 300 N LEU A 18 12.384 2.104 3.706 1.00 0.00 N ATOM 301 CA LEU A 18 12.251 3.132 2.682 1.00 0.00 C ATOM 302 C LEU A 18 11.317 4.240 3.149 1.00 0.00 C ATOM 303 O LEU A 18 11.605 5.421 2.975 1.00 0.00 O ATOM 304 CB LEU A 18 11.724 2.525 1.379 1.00 0.00 C ATOM 305 CG LEU A 18 12.720 1.658 0.610 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.020 0.913 -0.517 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.848 2.514 0.058 1.00 0.00 C ATOM 0 H LEU A 18 11.992 1.199 3.447 1.00 0.00 H new ATOM 0 HA LEU A 18 13.238 3.558 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.845 1.923 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.395 3.335 0.728 1.00 0.00 H new ATOM 0 HG LEU A 18 13.143 0.925 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.745 0.301 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.241 0.273 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.572 1.631 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.550 1.883 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.438 3.267 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.367 3.007 0.880 1.00 0.00 H new ATOM 319 N LEU A 19 10.207 3.846 3.762 1.00 0.00 N ATOM 320 CA LEU A 19 9.181 4.796 4.187 1.00 0.00 C ATOM 321 C LEU A 19 9.592 5.585 5.428 1.00 0.00 C ATOM 322 O LEU A 19 9.194 6.739 5.588 1.00 0.00 O ATOM 323 CB LEU A 19 7.860 4.065 4.442 1.00 0.00 C ATOM 324 CG LEU A 19 6.873 4.058 3.265 1.00 0.00 C ATOM 325 CD1 LEU A 19 7.545 3.604 1.984 1.00 0.00 C ATOM 326 CD2 LEU A 19 5.685 3.162 3.578 1.00 0.00 C ATOM 0 H LEU A 19 9.992 2.872 3.977 1.00 0.00 H new ATOM 0 HA LEU A 19 9.053 5.514 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.082 3.033 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.371 4.523 5.302 1.00 0.00 H new ATOM 0 HG LEU A 19 6.521 5.079 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.819 3.610 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.365 4.281 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.934 2.594 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.994 3.167 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.033 2.145 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.175 3.532 4.468 1.00 0.00 H new ATOM 338 N LEU A 20 10.382 4.973 6.306 1.00 0.00 N ATOM 339 CA LEU A 20 10.820 5.649 7.527 1.00 0.00 C ATOM 340 C LEU A 20 11.962 6.618 7.266 1.00 0.00 C ATOM 341 O LEU A 20 12.362 7.362 8.161 1.00 0.00 O ATOM 342 CB LEU A 20 11.235 4.645 8.602 1.00 0.00 C ATOM 343 CG LEU A 20 10.116 4.203 9.546 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.400 5.415 10.129 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.134 3.294 8.836 1.00 0.00 C ATOM 0 H LEU A 20 10.730 4.020 6.198 1.00 0.00 H new ATOM 0 HA LEU A 20 9.963 6.219 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.646 3.762 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.038 5.083 9.195 1.00 0.00 H new ATOM 0 HG LEU A 20 10.565 3.640 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.607 5.082 10.798 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.112 6.025 10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.969 6.006 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.349 2.994 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.691 3.825 7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.655 2.408 8.473 1.00 0.00 H new ATOM 357 N ASN A 21 12.496 6.605 6.055 1.00 0.00 N ATOM 358 CA ASN A 21 13.535 7.555 5.692 1.00 0.00 C ATOM 359 C ASN A 21 12.922 8.954 5.624 1.00 0.00 C ATOM 360 O ASN A 21 11.937 9.163 4.913 1.00 0.00 O ATOM 361 CB ASN A 21 14.168 7.179 4.349 1.00 0.00 C ATOM 362 CG ASN A 21 15.510 7.854 4.130 1.00 0.00 C ATOM 363 OD1 ASN A 21 16.265 8.090 5.071 1.00 0.00 O ATOM 364 ND2 ASN A 21 15.817 8.173 2.888 1.00 0.00 N ATOM 0 H ASN A 21 12.231 5.955 5.315 1.00 0.00 H new ATOM 0 HA ASN A 21 14.323 7.537 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.297 6.098 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.490 7.455 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.705 8.631 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.166 7.962 2.132 1.00 0.00 H new ATOM 371 N PRO A 22 13.481 9.921 6.375 1.00 0.00 N ATOM 372 CA PRO A 22 12.894 11.266 6.530 1.00 0.00 C ATOM 373 C PRO A 22 12.968 12.142 5.274 1.00 0.00 C ATOM 374 O PRO A 22 13.342 13.314 5.343 1.00 0.00 O ATOM 375 CB PRO A 22 13.728 11.883 7.655 1.00 0.00 C ATOM 376 CG PRO A 22 15.038 11.178 7.589 1.00 0.00 C ATOM 377 CD PRO A 22 14.726 9.773 7.153 1.00 0.00 C ATOM 0 HA PRO A 22 11.825 11.198 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.849 12.957 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.251 11.741 8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.710 11.666 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.535 11.185 8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.530 9.353 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.589 9.109 8.007 1.00 0.00 H new ATOM 385 N GLU A 23 12.606 11.577 4.131 1.00 0.00 N ATOM 386 CA GLU A 23 12.501 12.340 2.899 1.00 0.00 C ATOM 387 C GLU A 23 11.132 12.116 2.265 1.00 0.00 C ATOM 388 O GLU A 23 10.786 12.740 1.262 1.00 0.00 O ATOM 389 CB GLU A 23 13.609 11.943 1.920 1.00 0.00 C ATOM 390 CG GLU A 23 13.454 10.547 1.334 1.00 0.00 C ATOM 391 CD GLU A 23 14.494 10.248 0.275 1.00 0.00 C ATOM 392 OE1 GLU A 23 14.473 10.901 -0.787 1.00 0.00 O ATOM 393 OE2 GLU A 23 15.342 9.362 0.499 1.00 0.00 O ATOM 0 H GLU A 23 12.379 10.587 4.033 1.00 0.00 H new ATOM 0 HA GLU A 23 12.616 13.398 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.634 12.666 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.570 12.005 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.530 9.810 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.459 10.446 0.901 1.00 0.00 H new ATOM 400 N ASN A 24 10.353 11.227 2.870 1.00 0.00 N ATOM 401 CA ASN A 24 9.050 10.860 2.329 1.00 0.00 C ATOM 402 C ASN A 24 7.947 11.716 2.931 1.00 0.00 C ATOM 403 O ASN A 24 7.887 11.904 4.146 1.00 0.00 O ATOM 404 CB ASN A 24 8.734 9.386 2.591 1.00 0.00 C ATOM 405 CG ASN A 24 9.723 8.438 1.943 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.589 8.089 0.772 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.709 7.998 2.705 1.00 0.00 N ATOM 0 H ASN A 24 10.601 10.747 3.735 1.00 0.00 H new ATOM 0 HA ASN A 24 9.094 11.030 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.723 9.209 3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.733 9.165 2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.394 7.344 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.785 8.312 3.672 1.00 0.00 H new ATOM 414 N PRO A 25 7.076 12.270 2.080 1.00 0.00 N ATOM 415 CA PRO A 25 5.883 12.985 2.523 1.00 0.00 C ATOM 416 C PRO A 25 4.706 12.038 2.749 1.00 0.00 C ATOM 417 O PRO A 25 4.712 10.896 2.268 1.00 0.00 O ATOM 418 CB PRO A 25 5.606 13.914 1.345 1.00 0.00 C ATOM 419 CG PRO A 25 6.054 13.142 0.149 1.00 0.00 C ATOM 420 CD PRO A 25 7.197 12.269 0.606 1.00 0.00 C ATOM 0 HA PRO A 25 6.021 13.499 3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.548 14.168 1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.154 14.851 1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.239 12.537 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.373 13.813 -0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.118 11.261 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.159 12.668 0.284 1.00 0.00 H new ATOM 428 N ARG A 26 3.700 12.512 3.480 1.00 0.00 N ATOM 429 CA ARG A 26 2.485 11.742 3.702 1.00 0.00 C ATOM 430 C ARG A 26 1.809 11.458 2.370 1.00 0.00 C ATOM 431 O ARG A 26 1.417 12.384 1.656 1.00 0.00 O ATOM 432 CB ARG A 26 1.518 12.501 4.621 1.00 0.00 C ATOM 433 CG ARG A 26 0.223 11.749 4.901 1.00 0.00 C ATOM 434 CD ARG A 26 -0.798 12.638 5.595 1.00 0.00 C ATOM 435 NE ARG A 26 -1.156 12.147 6.924 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.741 12.893 7.859 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.988 14.180 7.634 1.00 0.00 N ATOM 438 NH2 ARG A 26 -2.055 12.349 9.024 1.00 0.00 N ATOM 0 H ARG A 26 3.705 13.428 3.928 1.00 0.00 H new ATOM 0 HA ARG A 26 2.754 10.802 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.018 12.710 5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.279 13.463 4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.193 11.377 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.433 10.879 5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.397 13.648 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.696 12.702 4.981 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.945 11.175 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.729 14.601 6.742 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.436 14.747 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.849 11.366 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.503 12.913 9.746 1.00 0.00 H new ATOM 452 N GLY A 27 1.695 10.185 2.036 1.00 0.00 N ATOM 453 CA GLY A 27 1.114 9.809 0.764 1.00 0.00 C ATOM 454 C GLY A 27 2.011 8.878 -0.018 1.00 0.00 C ATOM 455 O GLY A 27 1.626 8.382 -1.075 1.00 0.00 O ATOM 0 H GLY A 27 1.993 9.404 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.152 9.326 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.921 10.706 0.175 1.00 0.00 H new ATOM 459 N THR A 28 3.213 8.658 0.499 1.00 0.00 N ATOM 460 CA THR A 28 4.153 7.723 -0.103 1.00 0.00 C ATOM 461 C THR A 28 3.730 6.283 0.183 1.00 0.00 C ATOM 462 O THR A 28 3.759 5.840 1.328 1.00 0.00 O ATOM 463 CB THR A 28 5.578 7.953 0.438 1.00 0.00 C ATOM 464 OG1 THR A 28 5.927 9.336 0.295 1.00 0.00 O ATOM 465 CG2 THR A 28 6.593 7.092 -0.300 1.00 0.00 C ATOM 0 H THR A 28 3.561 9.118 1.340 1.00 0.00 H new ATOM 0 HA THR A 28 4.151 7.894 -1.179 1.00 0.00 H new ATOM 0 HB THR A 28 5.594 7.672 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.487 9.859 0.998 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.589 7.276 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.339 6.040 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.580 7.342 -1.361 1.00 0.00 H new ATOM 473 N PHE A 29 3.334 5.557 -0.854 1.00 0.00 N ATOM 474 CA PHE A 29 2.795 4.214 -0.676 1.00 0.00 C ATOM 475 C PHE A 29 3.540 3.188 -1.520 1.00 0.00 C ATOM 476 O PHE A 29 4.233 3.537 -2.478 1.00 0.00 O ATOM 477 CB PHE A 29 1.307 4.188 -1.047 1.00 0.00 C ATOM 478 CG PHE A 29 1.041 4.363 -2.522 1.00 0.00 C ATOM 479 CD1 PHE A 29 1.046 5.624 -3.100 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.785 3.264 -3.330 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.804 5.784 -4.451 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.543 3.419 -4.680 1.00 0.00 C ATOM 483 CZ PHE A 29 0.550 4.681 -5.243 1.00 0.00 C ATOM 0 H PHE A 29 3.375 5.873 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 29 2.922 3.950 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.878 3.241 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.792 4.977 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.241 6.491 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.775 2.275 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.813 6.772 -4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.348 2.554 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.358 4.805 -6.299 1.00 0.00 H new ATOM 493 N LEU A 30 3.390 1.924 -1.147 1.00 0.00 N ATOM 494 CA LEU A 30 3.887 0.809 -1.941 1.00 0.00 C ATOM 495 C LEU A 30 3.154 -0.469 -1.536 1.00 0.00 C ATOM 496 O LEU A 30 2.900 -0.697 -0.353 1.00 0.00 O ATOM 497 CB LEU A 30 5.413 0.632 -1.785 1.00 0.00 C ATOM 498 CG LEU A 30 5.914 0.011 -0.468 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.416 -0.214 -0.527 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.575 0.890 0.720 1.00 0.00 C ATOM 0 H LEU A 30 2.921 1.643 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 30 3.694 1.023 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.768 0.012 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.881 1.610 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 30 5.410 -0.947 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.755 -0.653 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.651 -0.889 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.921 0.739 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.942 0.424 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.045 1.866 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.494 1.013 0.785 1.00 0.00 H new ATOM 512 N VAL A 31 2.785 -1.281 -2.514 1.00 0.00 N ATOM 513 CA VAL A 31 2.105 -2.536 -2.235 1.00 0.00 C ATOM 514 C VAL A 31 3.091 -3.701 -2.274 1.00 0.00 C ATOM 515 O VAL A 31 3.696 -4.000 -3.310 1.00 0.00 O ATOM 516 CB VAL A 31 0.898 -2.785 -3.193 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.081 -2.069 -4.510 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.667 -4.278 -3.436 1.00 0.00 C ATOM 0 H VAL A 31 2.944 -1.095 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 31 1.693 -2.464 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 31 0.016 -2.379 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.222 -2.264 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.165 -0.997 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.988 -2.429 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.181 -4.410 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.558 -4.715 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.460 -4.773 -2.487 1.00 0.00 H new ATOM 528 N ARG A 32 3.278 -4.320 -1.116 1.00 0.00 N ATOM 529 CA ARG A 32 4.142 -5.483 -0.993 1.00 0.00 C ATOM 530 C ARG A 32 3.290 -6.728 -0.776 1.00 0.00 C ATOM 531 O ARG A 32 2.201 -6.651 -0.204 1.00 0.00 O ATOM 532 CB ARG A 32 5.125 -5.306 0.179 1.00 0.00 C ATOM 533 CG ARG A 32 4.465 -5.360 1.547 1.00 0.00 C ATOM 534 CD ARG A 32 5.470 -5.195 2.679 1.00 0.00 C ATOM 535 NE ARG A 32 4.879 -5.523 3.980 1.00 0.00 N ATOM 536 CZ ARG A 32 5.380 -5.144 5.158 1.00 0.00 C ATOM 537 NH1 ARG A 32 6.466 -4.382 5.220 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.781 -5.523 6.284 1.00 0.00 N ATOM 0 H ARG A 32 2.838 -4.032 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 32 4.719 -5.593 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.887 -6.084 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.637 -4.350 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.711 -4.576 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.946 -6.312 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.331 -5.838 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.836 -4.168 2.694 1.00 0.00 H new ATOM 0 HE ARG A 32 4.025 -6.080 3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.927 -4.080 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.839 -4.099 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.942 -6.101 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.161 -5.235 7.186 1.00 0.00 H new ATOM 552 N GLU A 33 3.769 -7.862 -1.247 1.00 0.00 N ATOM 553 CA GLU A 33 3.079 -9.122 -1.035 1.00 0.00 C ATOM 554 C GLU A 33 3.524 -9.718 0.290 1.00 0.00 C ATOM 555 O GLU A 33 4.721 -9.873 0.530 1.00 0.00 O ATOM 556 CB GLU A 33 3.377 -10.107 -2.164 1.00 0.00 C ATOM 557 CG GLU A 33 3.150 -9.549 -3.556 1.00 0.00 C ATOM 558 CD GLU A 33 3.381 -10.586 -4.633 1.00 0.00 C ATOM 559 OE1 GLU A 33 4.552 -10.880 -4.943 1.00 0.00 O ATOM 560 OE2 GLU A 33 2.386 -11.112 -5.177 1.00 0.00 O ATOM 0 H GLU A 33 4.635 -7.938 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 33 2.006 -8.933 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.414 -10.434 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.753 -10.991 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.131 -9.170 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.818 -8.703 -3.720 1.00 0.00 H new ATOM 567 N SER A 34 2.573 -10.035 1.151 1.00 0.00 N ATOM 568 CA SER A 34 2.901 -10.601 2.444 1.00 0.00 C ATOM 569 C SER A 34 3.321 -12.056 2.287 1.00 0.00 C ATOM 570 O SER A 34 2.535 -12.904 1.867 1.00 0.00 O ATOM 571 CB SER A 34 1.716 -10.491 3.412 1.00 0.00 C ATOM 572 OG SER A 34 2.042 -11.025 4.687 1.00 0.00 O ATOM 0 H SER A 34 1.575 -9.911 0.979 1.00 0.00 H new ATOM 0 HA SER A 34 3.732 -10.034 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.424 -9.446 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.857 -11.022 3.001 1.00 0.00 H new ATOM 0 HG SER A 34 1.270 -10.940 5.284 1.00 0.00 H new ATOM 578 N GLU A 35 4.573 -12.329 2.619 1.00 0.00 N ATOM 579 CA GLU A 35 5.106 -13.677 2.560 1.00 0.00 C ATOM 580 C GLU A 35 4.478 -14.556 3.640 1.00 0.00 C ATOM 581 O GLU A 35 4.542 -15.784 3.574 1.00 0.00 O ATOM 582 CB GLU A 35 6.627 -13.636 2.715 1.00 0.00 C ATOM 583 CG GLU A 35 7.097 -12.849 3.930 1.00 0.00 C ATOM 584 CD GLU A 35 8.600 -12.684 3.961 1.00 0.00 C ATOM 585 OE1 GLU A 35 9.304 -13.676 4.247 1.00 0.00 O ATOM 586 OE2 GLU A 35 9.091 -11.573 3.675 1.00 0.00 O ATOM 0 H GLU A 35 5.242 -11.627 2.934 1.00 0.00 H new ATOM 0 HA GLU A 35 4.860 -14.111 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.004 -14.656 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.063 -13.197 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.626 -11.866 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.771 -13.357 4.838 1.00 0.00 H new ATOM 593 N THR A 36 3.869 -13.914 4.627 1.00 0.00 N ATOM 594 CA THR A 36 3.230 -14.606 5.724 1.00 0.00 C ATOM 595 C THR A 36 1.858 -15.146 5.316 1.00 0.00 C ATOM 596 O THR A 36 1.442 -16.219 5.764 1.00 0.00 O ATOM 597 CB THR A 36 3.069 -13.648 6.912 1.00 0.00 C ATOM 598 OG1 THR A 36 4.168 -12.724 6.934 1.00 0.00 O ATOM 599 CG2 THR A 36 3.034 -14.414 8.218 1.00 0.00 C ATOM 0 H THR A 36 3.807 -12.898 4.685 1.00 0.00 H new ATOM 0 HA THR A 36 3.860 -15.450 6.007 1.00 0.00 H new ATOM 0 HB THR A 36 2.129 -13.108 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.065 -12.111 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.919 -13.715 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.194 -15.109 8.210 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.964 -14.970 8.339 1.00 0.00 H new ATOM 607 N THR A 37 1.161 -14.407 4.460 1.00 0.00 N ATOM 608 CA THR A 37 -0.174 -14.798 4.031 1.00 0.00 C ATOM 609 C THR A 37 -0.344 -14.598 2.526 1.00 0.00 C ATOM 610 O THR A 37 -0.340 -13.471 2.033 1.00 0.00 O ATOM 611 CB THR A 37 -1.259 -13.992 4.779 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.028 -14.052 6.196 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.649 -14.531 4.468 1.00 0.00 C ATOM 0 H THR A 37 1.499 -13.536 4.051 1.00 0.00 H new ATOM 0 HA THR A 37 -0.293 -15.855 4.268 1.00 0.00 H new ATOM 0 HB THR A 37 -1.203 -12.957 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.719 -13.537 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.395 -13.947 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.836 -14.459 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.712 -15.574 4.778 1.00 0.00 H new ATOM 621 N LYS A 38 -0.502 -15.698 1.801 1.00 0.00 N ATOM 622 CA LYS A 38 -0.638 -15.650 0.352 1.00 0.00 C ATOM 623 C LYS A 38 -1.984 -15.051 -0.042 1.00 0.00 C ATOM 624 O LYS A 38 -3.041 -15.555 0.343 1.00 0.00 O ATOM 625 CB LYS A 38 -0.491 -17.053 -0.242 1.00 0.00 C ATOM 626 CG LYS A 38 0.866 -17.688 0.027 1.00 0.00 C ATOM 627 CD LYS A 38 0.956 -19.082 -0.568 1.00 0.00 C ATOM 628 CE LYS A 38 2.288 -19.746 -0.257 1.00 0.00 C ATOM 629 NZ LYS A 38 3.431 -19.024 -0.873 1.00 0.00 N ATOM 0 H LYS A 38 -0.539 -16.638 2.195 1.00 0.00 H new ATOM 0 HA LYS A 38 0.153 -15.015 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.271 -17.695 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.652 -17.002 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.652 -17.061 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.039 -17.738 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.144 -19.696 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.822 -19.025 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.427 -19.789 0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.273 -20.774 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.300 -19.582 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.248 -18.885 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.546 -18.099 -0.412 1.00 0.00 H new ATOM 643 N GLY A 39 -1.936 -13.969 -0.805 1.00 0.00 N ATOM 644 CA GLY A 39 -3.151 -13.296 -1.213 1.00 0.00 C ATOM 645 C GLY A 39 -3.408 -12.049 -0.400 1.00 0.00 C ATOM 646 O GLY A 39 -4.354 -11.309 -0.664 1.00 0.00 O ATOM 0 H GLY A 39 -1.075 -13.544 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.083 -13.033 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.995 -13.977 -1.108 1.00 0.00 H new ATOM 650 N ALA A 40 -2.569 -11.823 0.596 1.00 0.00 N ATOM 651 CA ALA A 40 -2.667 -10.633 1.420 1.00 0.00 C ATOM 652 C ALA A 40 -1.578 -9.645 1.044 1.00 0.00 C ATOM 653 O ALA A 40 -0.389 -9.907 1.232 1.00 0.00 O ATOM 654 CB ALA A 40 -2.580 -10.990 2.897 1.00 0.00 C ATOM 0 H ALA A 40 -1.809 -12.452 0.854 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.637 -10.168 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.656 -10.082 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.395 -11.665 3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.627 -11.479 3.098 1.00 0.00 H new ATOM 660 N TYR A 41 -1.985 -8.521 0.495 1.00 0.00 N ATOM 661 CA TYR A 41 -1.048 -7.497 0.083 1.00 0.00 C ATOM 662 C TYR A 41 -1.030 -6.372 1.099 1.00 0.00 C ATOM 663 O TYR A 41 -2.062 -6.011 1.652 1.00 0.00 O ATOM 664 CB TYR A 41 -1.417 -6.961 -1.301 1.00 0.00 C ATOM 665 CG TYR A 41 -1.326 -8.009 -2.385 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.334 -8.947 -2.565 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.221 -8.067 -3.215 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.240 -9.914 -3.546 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.120 -9.030 -4.195 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.130 -9.951 -4.358 1.00 0.00 C ATOM 671 OH TYR A 41 -1.021 -10.917 -5.334 1.00 0.00 O ATOM 0 H TYR A 41 -2.964 -8.292 0.323 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.051 -7.935 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.432 -6.564 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.757 -6.130 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.205 -8.920 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.574 -7.347 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.032 -10.636 -3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.750 -9.062 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.321 -10.662 -5.970 1.00 0.00 H new ATOM 681 N CYS A 42 0.139 -5.834 1.361 1.00 0.00 N ATOM 682 CA CYS A 42 0.263 -4.750 2.312 1.00 0.00 C ATOM 683 C CYS A 42 0.435 -3.431 1.578 1.00 0.00 C ATOM 684 O CYS A 42 1.501 -3.154 1.027 1.00 0.00 O ATOM 685 CB CYS A 42 1.451 -4.994 3.244 1.00 0.00 C ATOM 686 SG CYS A 42 1.417 -6.597 4.083 1.00 0.00 S ATOM 0 H CYS A 42 1.016 -6.127 0.931 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.646 -4.704 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.373 -4.918 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.478 -4.204 3.994 1.00 0.00 H new ATOM 0 HG CYS A 42 2.339 -6.627 4.999 1.00 0.00 H new ATOM 692 N LEU A 43 -0.631 -2.645 1.534 1.00 0.00 N ATOM 693 CA LEU A 43 -0.550 -1.295 1.009 1.00 0.00 C ATOM 694 C LEU A 43 0.035 -0.419 2.102 1.00 0.00 C ATOM 695 O LEU A 43 -0.689 0.148 2.923 1.00 0.00 O ATOM 696 CB LEU A 43 -1.941 -0.798 0.567 1.00 0.00 C ATOM 697 CG LEU A 43 -1.976 0.447 -0.345 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.569 1.708 0.402 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.086 0.249 -1.565 1.00 0.00 C ATOM 0 H LEU A 43 -1.559 -2.920 1.855 1.00 0.00 H new ATOM 0 HA LEU A 43 0.087 -1.260 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.445 -1.614 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.525 -0.581 1.462 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.007 0.574 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.607 2.561 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.253 1.875 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.555 1.593 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.126 1.139 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.059 0.079 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.435 -0.613 -2.134 1.00 0.00 H new ATOM 711 N SER A 44 1.350 -0.368 2.141 1.00 0.00 N ATOM 712 CA SER A 44 2.053 0.387 3.151 1.00 0.00 C ATOM 713 C SER A 44 2.174 1.842 2.723 1.00 0.00 C ATOM 714 O SER A 44 2.813 2.152 1.717 1.00 0.00 O ATOM 715 CB SER A 44 3.437 -0.221 3.371 1.00 0.00 C ATOM 716 OG SER A 44 3.350 -1.620 3.582 1.00 0.00 O ATOM 0 H SER A 44 1.957 -0.847 1.476 1.00 0.00 H new ATOM 0 HA SER A 44 1.495 0.347 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.069 -0.019 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.913 0.251 4.230 1.00 0.00 H new ATOM 0 HG SER A 44 2.862 -1.796 4.413 1.00 0.00 H new ATOM 722 N VAL A 45 1.531 2.726 3.462 1.00 0.00 N ATOM 723 CA VAL A 45 1.618 4.144 3.175 1.00 0.00 C ATOM 724 C VAL A 45 2.337 4.868 4.307 1.00 0.00 C ATOM 725 O VAL A 45 2.119 4.576 5.487 1.00 0.00 O ATOM 726 CB VAL A 45 0.218 4.772 2.954 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.581 4.815 4.248 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.332 6.164 2.351 1.00 0.00 C ATOM 0 H VAL A 45 0.945 2.488 4.262 1.00 0.00 H new ATOM 0 HA VAL A 45 2.186 4.258 2.252 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.317 4.136 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.557 5.261 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.713 3.802 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.046 5.413 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.665 6.581 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.900 6.807 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.843 6.103 1.390 1.00 0.00 H new ATOM 738 N SER A 46 3.232 5.773 3.951 1.00 0.00 N ATOM 739 CA SER A 46 3.856 6.628 4.932 1.00 0.00 C ATOM 740 C SER A 46 2.895 7.735 5.311 1.00 0.00 C ATOM 741 O SER A 46 2.505 8.567 4.482 1.00 0.00 O ATOM 742 CB SER A 46 5.173 7.198 4.414 1.00 0.00 C ATOM 743 OG SER A 46 5.773 8.066 5.360 1.00 0.00 O ATOM 0 H SER A 46 3.539 5.931 2.991 1.00 0.00 H new ATOM 0 HA SER A 46 4.091 6.038 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.857 6.382 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.996 7.739 3.484 1.00 0.00 H new ATOM 0 HG SER A 46 6.615 8.412 4.998 1.00 0.00 H new ATOM 749 N ASP A 47 2.501 7.707 6.561 1.00 0.00 N ATOM 750 CA ASP A 47 1.517 8.634 7.083 1.00 0.00 C ATOM 751 C ASP A 47 2.203 9.597 8.039 1.00 0.00 C ATOM 752 O ASP A 47 3.040 9.188 8.848 1.00 0.00 O ATOM 753 CB ASP A 47 0.398 7.865 7.800 1.00 0.00 C ATOM 754 CG ASP A 47 -0.907 8.639 7.875 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.886 9.822 8.269 1.00 0.00 O ATOM 756 OD2 ASP A 47 -1.964 8.061 7.530 1.00 0.00 O ATOM 0 H ASP A 47 2.852 7.041 7.249 1.00 0.00 H new ATOM 0 HA ASP A 47 1.070 9.198 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.224 6.922 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.725 7.618 8.810 1.00 0.00 H new ATOM 761 N PHE A 48 1.868 10.870 7.941 1.00 0.00 N ATOM 762 CA PHE A 48 2.508 11.886 8.755 1.00 0.00 C ATOM 763 C PHE A 48 1.872 11.937 10.137 1.00 0.00 C ATOM 764 O PHE A 48 0.660 12.078 10.270 1.00 0.00 O ATOM 765 CB PHE A 48 2.414 13.255 8.077 1.00 0.00 C ATOM 766 CG PHE A 48 3.246 14.314 8.745 1.00 0.00 C ATOM 767 CD1 PHE A 48 4.602 14.418 8.471 1.00 0.00 C ATOM 768 CD2 PHE A 48 2.679 15.199 9.648 1.00 0.00 C ATOM 769 CE1 PHE A 48 5.377 15.383 9.086 1.00 0.00 C ATOM 770 CE2 PHE A 48 3.449 16.168 10.266 1.00 0.00 C ATOM 771 CZ PHE A 48 4.799 16.259 9.983 1.00 0.00 C ATOM 0 H PHE A 48 1.155 11.225 7.304 1.00 0.00 H new ATOM 0 HA PHE A 48 3.561 11.626 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.728 13.159 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.372 13.576 8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.058 13.736 7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.625 15.132 9.872 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.432 15.452 8.865 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.996 16.852 10.968 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.402 17.015 10.464 1.00 0.00 H new ATOM 781 N ASP A 49 2.703 11.826 11.156 1.00 0.00 N ATOM 782 CA ASP A 49 2.240 11.861 12.533 1.00 0.00 C ATOM 783 C ASP A 49 2.852 13.062 13.239 1.00 0.00 C ATOM 784 O ASP A 49 3.984 13.445 12.957 1.00 0.00 O ATOM 785 CB ASP A 49 2.631 10.571 13.257 1.00 0.00 C ATOM 786 CG ASP A 49 1.987 10.446 14.623 1.00 0.00 C ATOM 787 OD1 ASP A 49 2.540 11.002 15.593 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.939 9.779 14.733 1.00 0.00 O ATOM 0 H ASP A 49 3.711 11.710 11.056 1.00 0.00 H new ATOM 0 HA ASP A 49 1.154 11.948 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.344 9.715 12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.715 10.536 13.367 1.00 0.00 H new ATOM 793 N ASN A 50 2.109 13.640 14.161 1.00 0.00 N ATOM 794 CA ASN A 50 2.529 14.873 14.815 1.00 0.00 C ATOM 795 C ASN A 50 3.501 14.606 15.957 1.00 0.00 C ATOM 796 O ASN A 50 4.150 15.528 16.454 1.00 0.00 O ATOM 797 CB ASN A 50 1.312 15.644 15.329 1.00 0.00 C ATOM 798 CG ASN A 50 0.576 16.375 14.220 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.181 16.824 13.246 1.00 0.00 O ATOM 800 ND2 ASN A 50 -0.731 16.500 14.362 1.00 0.00 N ATOM 0 H ASN A 50 1.209 13.279 14.478 1.00 0.00 H new ATOM 0 HA ASN A 50 3.049 15.477 14.071 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.628 14.952 15.820 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.633 16.363 16.083 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.278 16.983 13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.194 16.113 15.185 1.00 0.00 H new ATOM 807 N ALA A 51 3.596 13.352 16.370 1.00 0.00 N ATOM 808 CA ALA A 51 4.498 12.968 17.445 1.00 0.00 C ATOM 809 C ALA A 51 5.587 12.035 16.930 1.00 0.00 C ATOM 810 O ALA A 51 6.756 12.166 17.297 1.00 0.00 O ATOM 811 CB ALA A 51 3.724 12.303 18.572 1.00 0.00 C ATOM 0 H ALA A 51 3.058 12.580 15.976 1.00 0.00 H new ATOM 0 HA ALA A 51 4.974 13.870 17.830 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.412 12.021 19.369 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.981 12.998 18.963 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.223 11.412 18.193 1.00 0.00 H new ATOM 817 N LYS A 52 5.198 11.104 16.070 1.00 0.00 N ATOM 818 CA LYS A 52 6.130 10.121 15.525 1.00 0.00 C ATOM 819 C LYS A 52 6.848 10.670 14.293 1.00 0.00 C ATOM 820 O LYS A 52 7.948 10.233 13.946 1.00 0.00 O ATOM 821 CB LYS A 52 5.380 8.844 15.136 1.00 0.00 C ATOM 822 CG LYS A 52 4.427 8.334 16.205 1.00 0.00 C ATOM 823 CD LYS A 52 3.655 7.120 15.712 1.00 0.00 C ATOM 824 CE LYS A 52 2.558 6.715 16.685 1.00 0.00 C ATOM 825 NZ LYS A 52 1.523 7.774 16.832 1.00 0.00 N ATOM 0 H LYS A 52 4.240 11.007 15.732 1.00 0.00 H new ATOM 0 HA LYS A 52 6.868 9.898 16.296 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.817 9.030 14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.106 8.063 14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.988 8.073 17.103 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.730 9.124 16.483 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.215 7.339 14.739 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.342 6.285 15.570 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.088 5.795 16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.998 6.501 17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.609 7.336 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.799 8.426 17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.436 8.301 15.940 1.00 0.00 H new ATOM 839 N GLY A 53 6.214 11.631 13.635 1.00 0.00 N ATOM 840 CA GLY A 53 6.745 12.153 12.394 1.00 0.00 C ATOM 841 C GLY A 53 6.221 11.378 11.205 1.00 0.00 C ATOM 842 O GLY A 53 5.367 11.860 10.466 1.00 0.00 O ATOM 0 H GLY A 53 5.340 12.058 13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.475 13.204 12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.834 12.104 12.412 1.00 0.00 H new ATOM 846 N LEU A 54 6.721 10.164 11.039 1.00 0.00 N ATOM 847 CA LEU A 54 6.263 9.280 9.978 1.00 0.00 C ATOM 848 C LEU A 54 5.879 7.927 10.557 1.00 0.00 C ATOM 849 O LEU A 54 6.617 7.360 11.363 1.00 0.00 O ATOM 850 CB LEU A 54 7.359 9.088 8.926 1.00 0.00 C ATOM 851 CG LEU A 54 7.799 10.353 8.185 1.00 0.00 C ATOM 852 CD1 LEU A 54 8.950 10.033 7.246 1.00 0.00 C ATOM 853 CD2 LEU A 54 6.634 10.954 7.413 1.00 0.00 C ATOM 0 H LEU A 54 7.450 9.765 11.631 1.00 0.00 H new ATOM 0 HA LEU A 54 5.393 9.736 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.232 8.653 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.009 8.363 8.192 1.00 0.00 H new ATOM 0 HG LEU A 54 8.137 11.086 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.256 10.939 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.791 9.644 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.630 9.286 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.967 11.852 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.266 10.229 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.833 11.212 8.106 1.00 0.00 H new ATOM 865 N ASN A 55 4.723 7.425 10.166 1.00 0.00 N ATOM 866 CA ASN A 55 4.297 6.096 10.573 1.00 0.00 C ATOM 867 C ASN A 55 3.799 5.335 9.357 1.00 0.00 C ATOM 868 O ASN A 55 3.166 5.911 8.477 1.00 0.00 O ATOM 869 CB ASN A 55 3.212 6.167 11.663 1.00 0.00 C ATOM 870 CG ASN A 55 1.845 6.594 11.146 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.003 5.756 10.819 1.00 0.00 O ATOM 872 ND2 ASN A 55 1.611 7.896 11.080 1.00 0.00 N ATOM 0 H ASN A 55 4.060 7.917 9.566 1.00 0.00 H new ATOM 0 HA ASN A 55 5.148 5.568 11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.121 5.189 12.136 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.532 6.866 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.708 8.236 10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.334 8.559 11.360 1.00 0.00 H new ATOM 879 N VAL A 56 4.120 4.057 9.281 1.00 0.00 N ATOM 880 CA VAL A 56 3.719 3.256 8.140 1.00 0.00 C ATOM 881 C VAL A 56 2.397 2.569 8.417 1.00 0.00 C ATOM 882 O VAL A 56 2.312 1.653 9.237 1.00 0.00 O ATOM 883 CB VAL A 56 4.780 2.205 7.762 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.338 1.405 6.549 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.114 2.872 7.491 1.00 0.00 C ATOM 0 H VAL A 56 4.653 3.554 9.990 1.00 0.00 H new ATOM 0 HA VAL A 56 3.611 3.937 7.295 1.00 0.00 H new ATOM 0 HB VAL A 56 4.895 1.521 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.103 0.669 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.401 0.894 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.192 2.077 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.852 2.115 7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.007 3.579 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.444 3.402 8.384 1.00 0.00 H new ATOM 895 N LYS A 57 1.371 3.032 7.736 1.00 0.00 N ATOM 896 CA LYS A 57 0.040 2.494 7.897 1.00 0.00 C ATOM 897 C LYS A 57 -0.194 1.387 6.878 1.00 0.00 C ATOM 898 O LYS A 57 -0.361 1.652 5.686 1.00 0.00 O ATOM 899 CB LYS A 57 -0.982 3.615 7.737 1.00 0.00 C ATOM 900 CG LYS A 57 -2.420 3.205 8.000 1.00 0.00 C ATOM 901 CD LYS A 57 -3.333 4.415 7.970 1.00 0.00 C ATOM 902 CE LYS A 57 -3.051 5.353 9.133 1.00 0.00 C ATOM 903 NZ LYS A 57 -3.697 6.676 8.950 1.00 0.00 N ATOM 0 H LYS A 57 1.437 3.790 7.057 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.070 2.066 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.720 4.427 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.911 4.011 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.741 2.482 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.492 2.712 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.200 4.949 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.372 4.089 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.408 4.900 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.974 5.487 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.730 7.175 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.150 7.238 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.665 6.543 8.593 1.00 0.00 H new ATOM 917 N HIS A 58 -0.168 0.149 7.353 1.00 0.00 N ATOM 918 CA HIS A 58 -0.315 -1.010 6.484 1.00 0.00 C ATOM 919 C HIS A 58 -1.784 -1.354 6.274 1.00 0.00 C ATOM 920 O HIS A 58 -2.453 -1.842 7.189 1.00 0.00 O ATOM 921 CB HIS A 58 0.404 -2.230 7.076 1.00 0.00 C ATOM 922 CG HIS A 58 1.883 -2.060 7.249 1.00 0.00 C ATOM 923 ND1 HIS A 58 2.762 -2.378 6.244 1.00 0.00 N ATOM 924 CD2 HIS A 58 2.583 -1.635 8.331 1.00 0.00 C ATOM 925 CE1 HIS A 58 3.967 -2.146 6.732 1.00 0.00 C ATOM 926 NE2 HIS A 58 3.911 -1.695 7.993 1.00 0.00 N ATOM 0 H HIS A 58 -0.046 -0.079 8.340 1.00 0.00 H new ATOM 0 HA HIS A 58 0.134 -0.755 5.524 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.038 -2.460 8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.223 -3.090 6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.173 -1.312 9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.884 -2.301 6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.702 -1.445 8.586 1.00 0.00 H new ATOM 934 N TYR A 59 -2.284 -1.088 5.081 1.00 0.00 N ATOM 935 CA TYR A 59 -3.625 -1.510 4.717 1.00 0.00 C ATOM 936 C TYR A 59 -3.577 -2.935 4.183 1.00 0.00 C ATOM 937 O TYR A 59 -2.866 -3.215 3.217 1.00 0.00 O ATOM 938 CB TYR A 59 -4.222 -0.586 3.657 1.00 0.00 C ATOM 939 CG TYR A 59 -4.425 0.846 4.103 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.554 1.219 4.825 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.499 1.827 3.783 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.746 2.529 5.216 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.689 3.138 4.166 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.810 3.485 4.882 1.00 0.00 C ATOM 945 OH TYR A 59 -5.000 4.800 5.253 1.00 0.00 O ATOM 0 H TYR A 59 -1.784 -0.583 4.349 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.256 -1.465 5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.570 -0.590 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.183 -0.993 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.291 0.473 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.614 1.560 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.625 2.804 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.959 3.890 3.904 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.246 5.341 4.939 1.00 0.00 H new ATOM 955 N LYS A 60 -4.316 -3.835 4.815 1.00 0.00 N ATOM 956 CA LYS A 60 -4.292 -5.235 4.421 1.00 0.00 C ATOM 957 C LYS A 60 -5.236 -5.501 3.251 1.00 0.00 C ATOM 958 O LYS A 60 -6.461 -5.445 3.383 1.00 0.00 O ATOM 959 CB LYS A 60 -4.617 -6.153 5.609 1.00 0.00 C ATOM 960 CG LYS A 60 -5.928 -5.842 6.315 1.00 0.00 C ATOM 961 CD LYS A 60 -6.185 -6.825 7.444 1.00 0.00 C ATOM 962 CE LYS A 60 -7.481 -6.516 8.180 1.00 0.00 C ATOM 963 NZ LYS A 60 -7.465 -5.165 8.803 1.00 0.00 N ATOM 0 H LYS A 60 -4.935 -3.623 5.597 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.279 -5.463 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.646 -7.184 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.806 -6.087 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.900 -4.827 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.749 -5.882 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.228 -7.837 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.352 -6.797 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.317 -6.583 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.647 -7.268 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.269 -5.074 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.577 -5.035 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.538 -4.440 8.061 1.00 0.00 H new ATOM 977 N ILE A 61 -4.642 -5.771 2.104 1.00 0.00 N ATOM 978 CA ILE A 61 -5.383 -6.113 0.904 1.00 0.00 C ATOM 979 C ILE A 61 -5.648 -7.611 0.879 1.00 0.00 C ATOM 980 O ILE A 61 -4.765 -8.398 0.544 1.00 0.00 O ATOM 981 CB ILE A 61 -4.601 -5.716 -0.370 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.308 -4.213 -0.370 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.372 -6.116 -1.624 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.465 -3.752 -1.543 1.00 0.00 C ATOM 0 H ILE A 61 -3.630 -5.759 1.978 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.324 -5.563 0.919 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.652 -6.252 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.252 -3.669 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.797 -3.952 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.804 -5.827 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.526 -7.195 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.338 -5.612 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.301 -2.677 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.505 -4.268 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.983 -3.980 -2.475 1.00 0.00 H new ATOM 996 N ARG A 62 -6.848 -7.998 1.262 1.00 0.00 N ATOM 997 CA ARG A 62 -7.220 -9.401 1.287 1.00 0.00 C ATOM 998 C ARG A 62 -7.935 -9.785 0.003 1.00 0.00 C ATOM 999 O ARG A 62 -8.636 -8.966 -0.596 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.110 -9.702 2.492 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.341 -9.857 3.794 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.279 -10.142 4.951 1.00 0.00 C ATOM 1003 NE ARG A 62 -7.570 -10.678 6.112 1.00 0.00 N ATOM 1004 CZ ARG A 62 -8.168 -11.037 7.243 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -9.461 -10.793 7.421 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -7.468 -11.618 8.207 1.00 0.00 N ATOM 0 H ARG A 62 -7.585 -7.360 1.561 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.308 -9.992 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.839 -8.899 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.670 -10.617 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.619 -10.668 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.775 -8.948 3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.795 -9.225 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.042 -10.852 4.633 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.557 -10.782 6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.998 -10.329 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.917 -11.070 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.470 -11.789 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.927 -11.894 9.075 1.00 0.00 H new ATOM 1020 N LYS A 63 -7.741 -11.020 -0.428 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.414 -11.511 -1.615 1.00 0.00 C ATOM 1022 C LYS A 63 -9.715 -12.200 -1.226 1.00 0.00 C ATOM 1023 O LYS A 63 -9.786 -12.912 -0.223 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.517 -12.467 -2.424 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.439 -13.893 -1.890 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.595 -14.000 -0.630 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.502 -15.437 -0.143 1.00 0.00 C ATOM 1028 NZ LYS A 63 -5.923 -16.344 -1.170 1.00 0.00 N ATOM 0 H LYS A 63 -7.126 -11.697 0.024 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.637 -10.656 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.882 -12.500 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.509 -12.053 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.446 -14.254 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.021 -14.543 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.594 -13.616 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.027 -13.377 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.890 -15.474 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.496 -15.790 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.644 -17.241 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.632 -16.531 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.088 -15.896 -1.598 1.00 0.00 H new ATOM 1042 N LEU A 64 -10.742 -11.955 -2.012 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.038 -12.568 -1.802 1.00 0.00 C ATOM 1044 C LEU A 64 -12.091 -13.940 -2.435 1.00 0.00 C ATOM 1045 O LEU A 64 -11.313 -14.242 -3.341 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.128 -11.712 -2.427 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.707 -10.620 -1.533 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.651 -9.739 -2.329 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.430 -11.232 -0.344 1.00 0.00 C ATOM 0 H LEU A 64 -10.703 -11.326 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.195 -12.655 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.726 -11.245 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.941 -12.366 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.888 -10.007 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.058 -8.963 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.108 -9.275 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.466 -10.344 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.836 -10.438 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.242 -11.866 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.730 -11.831 0.238 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.024 -14.754 -1.973 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.276 -16.040 -2.595 1.00 0.00 C ATOM 1063 C ASP A 65 -14.025 -15.842 -3.907 1.00 0.00 C ATOM 1064 O ASP A 65 -15.236 -16.055 -3.988 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.067 -16.948 -1.658 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.245 -18.340 -2.225 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -13.235 -19.054 -2.386 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -15.395 -18.730 -2.516 1.00 0.00 O ATOM 0 H ASP A 65 -13.618 -14.547 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.320 -16.522 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.554 -17.011 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.046 -16.507 -1.468 1.00 0.00 H new ATOM 1073 N SER A 66 -13.282 -15.370 -4.906 1.00 0.00 N ATOM 1074 CA SER A 66 -13.772 -15.185 -6.275 1.00 0.00 C ATOM 1075 C SER A 66 -14.539 -13.871 -6.406 1.00 0.00 C ATOM 1076 O SER A 66 -15.410 -13.721 -7.263 1.00 0.00 O ATOM 1077 CB SER A 66 -14.631 -16.374 -6.726 1.00 0.00 C ATOM 1078 OG SER A 66 -13.942 -17.603 -6.533 1.00 0.00 O ATOM 0 H SER A 66 -12.306 -15.100 -4.787 1.00 0.00 H new ATOM 0 HA SER A 66 -12.906 -15.137 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.566 -16.385 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.892 -16.260 -7.778 1.00 0.00 H new ATOM 0 HG SER A 66 -14.510 -18.346 -6.826 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.192 -12.916 -5.556 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.801 -11.603 -5.631 1.00 0.00 C ATOM 1086 C GLY A 67 -13.816 -10.550 -6.090 1.00 0.00 C ATOM 1087 O GLY A 67 -14.160 -9.659 -6.863 1.00 0.00 O ATOM 0 H GLY A 67 -13.499 -13.026 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.646 -11.634 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.196 -11.329 -4.652 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.583 -10.662 -5.617 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.549 -9.727 -5.993 1.00 0.00 C ATOM 1093 C GLY A 68 -10.584 -9.465 -4.857 1.00 0.00 C ATOM 1094 O GLY A 68 -10.205 -10.388 -4.136 1.00 0.00 O ATOM 0 H GLY A 68 -12.281 -11.393 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.002 -10.117 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.005 -8.788 -6.306 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.194 -8.211 -4.699 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.306 -7.796 -3.624 1.00 0.00 C ATOM 1100 C PHE A 69 -9.920 -6.606 -2.898 1.00 0.00 C ATOM 1101 O PHE A 69 -10.597 -5.783 -3.520 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.929 -7.414 -4.179 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.197 -8.549 -4.842 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.353 -8.798 -6.197 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.350 -9.363 -4.110 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.680 -9.839 -6.806 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -5.674 -10.405 -4.714 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.839 -10.643 -6.063 1.00 0.00 C ATOM 0 H PHE A 69 -10.484 -7.450 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.178 -8.626 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.051 -6.605 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.316 -7.027 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.008 -8.171 -6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.216 -9.181 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.811 -10.024 -7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.017 -11.033 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.311 -11.457 -6.537 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.703 -6.517 -1.593 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.279 -5.432 -0.811 1.00 0.00 C ATOM 1120 C TYR A 70 -9.409 -5.088 0.394 1.00 0.00 C ATOM 1121 O TYR A 70 -8.851 -5.969 1.050 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.698 -5.804 -0.344 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.753 -6.951 0.648 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.683 -8.271 0.223 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.880 -6.708 2.011 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.736 -9.315 1.125 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.932 -7.748 2.920 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.860 -9.049 2.471 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.914 -10.087 3.374 1.00 0.00 O ATOM 0 H TYR A 70 -9.138 -7.176 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.330 -4.553 -1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.160 -4.926 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.297 -6.065 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.585 -8.485 -0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.939 -5.690 2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.680 -10.336 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.028 -7.542 3.976 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.001 -9.727 4.281 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.281 -3.792 0.656 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.662 -3.309 1.883 1.00 0.00 C ATOM 1141 C ILE A 71 -9.734 -3.172 2.958 1.00 0.00 C ATOM 1142 O ILE A 71 -9.484 -3.341 4.152 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.964 -1.945 1.658 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.758 -2.124 0.737 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.549 -1.312 2.978 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.929 -0.870 0.558 1.00 0.00 C ATOM 0 H ILE A 71 -9.600 -3.053 0.030 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.903 -4.025 2.199 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.674 -1.269 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.122 -2.914 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.106 -2.460 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.062 -0.356 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.431 -1.152 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.856 -1.974 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.092 -1.079 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.548 -0.083 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.549 -0.544 1.526 1.00 0.00 H new ATOM 1158 N THR A 72 -10.939 -2.881 2.500 1.00 0.00 N ATOM 1159 CA THR A 72 -12.091 -2.758 3.367 1.00 0.00 C ATOM 1160 C THR A 72 -13.278 -3.457 2.719 1.00 0.00 C ATOM 1161 O THR A 72 -13.425 -3.446 1.496 1.00 0.00 O ATOM 1162 CB THR A 72 -12.432 -1.276 3.648 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.672 -1.179 4.362 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.517 -0.470 2.356 1.00 0.00 C ATOM 0 H THR A 72 -11.144 -2.723 1.513 1.00 0.00 H new ATOM 0 HA THR A 72 -11.860 -3.228 4.323 1.00 0.00 H new ATOM 0 HB THR A 72 -11.629 -0.861 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.877 -0.236 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.758 0.567 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.559 -0.512 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.294 -0.888 1.717 1.00 0.00 H new ATOM 1172 N SER A 73 -14.118 -4.065 3.544 1.00 0.00 N ATOM 1173 CA SER A 73 -15.214 -4.899 3.067 1.00 0.00 C ATOM 1174 C SER A 73 -16.273 -4.090 2.318 1.00 0.00 C ATOM 1175 O SER A 73 -17.152 -4.658 1.669 1.00 0.00 O ATOM 1176 CB SER A 73 -15.838 -5.628 4.256 1.00 0.00 C ATOM 1177 OG SER A 73 -15.936 -4.762 5.376 1.00 0.00 O ATOM 0 H SER A 73 -14.060 -3.995 4.560 1.00 0.00 H new ATOM 0 HA SER A 73 -14.811 -5.620 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.828 -5.995 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.234 -6.498 4.514 1.00 0.00 H new ATOM 0 HG SER A 73 -16.339 -5.244 6.128 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.180 -2.771 2.400 1.00 0.00 N ATOM 1184 CA ARG A 74 -17.150 -1.898 1.756 1.00 0.00 C ATOM 1185 C ARG A 74 -16.771 -1.638 0.295 1.00 0.00 C ATOM 1186 O ARG A 74 -17.622 -1.280 -0.518 1.00 0.00 O ATOM 1187 CB ARG A 74 -17.259 -0.570 2.518 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.012 0.291 2.422 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.033 1.451 3.407 1.00 0.00 C ATOM 1190 NE ARG A 74 -17.189 2.329 3.226 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.104 3.655 3.118 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -15.918 4.244 3.043 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -18.208 4.388 3.043 1.00 0.00 N ATOM 0 H ARG A 74 -15.442 -2.282 2.906 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.119 -2.398 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.109 -0.008 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.466 -0.779 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.133 -0.325 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.919 0.680 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.037 1.058 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.119 2.034 3.294 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.114 1.902 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.067 3.682 3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.857 5.259 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.122 3.937 3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.142 5.403 2.960 1.00 0.00 H new ATOM 1207 N THR A 75 -15.501 -1.842 -0.041 1.00 0.00 N ATOM 1208 CA THR A 75 -15.013 -1.514 -1.373 1.00 0.00 C ATOM 1209 C THR A 75 -14.126 -2.626 -1.929 1.00 0.00 C ATOM 1210 O THR A 75 -13.026 -2.871 -1.429 1.00 0.00 O ATOM 1211 CB THR A 75 -14.240 -0.181 -1.354 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.046 0.827 -0.726 1.00 0.00 O ATOM 1213 CG2 THR A 75 -13.887 0.265 -2.765 1.00 0.00 C ATOM 0 H THR A 75 -14.797 -2.230 0.587 1.00 0.00 H new ATOM 0 HA THR A 75 -15.880 -1.411 -2.026 1.00 0.00 H new ATOM 0 HB THR A 75 -13.315 -0.326 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.503 1.325 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.342 1.208 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.265 -0.493 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.801 0.400 -3.343 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.616 -3.296 -2.965 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.917 -4.431 -3.557 1.00 0.00 C ATOM 1223 C GLN A 76 -13.500 -4.118 -4.994 1.00 0.00 C ATOM 1224 O GLN A 76 -14.220 -3.426 -5.721 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.835 -5.658 -3.533 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.417 -5.940 -2.157 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.601 -6.886 -2.197 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.335 -6.946 -3.182 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.805 -7.617 -1.111 1.00 0.00 N ATOM 0 H GLN A 76 -15.503 -3.070 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.017 -4.635 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.649 -5.509 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.275 -6.530 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.641 -6.365 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.725 -5.000 -1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.172 -7.536 -0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.596 -8.260 -1.070 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.336 -4.616 -5.394 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.839 -4.434 -6.756 1.00 0.00 C ATOM 1240 C PHE A 77 -11.477 -5.780 -7.365 1.00 0.00 C ATOM 1241 O PHE A 77 -11.309 -6.759 -6.646 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.613 -3.521 -6.766 1.00 0.00 C ATOM 1243 CG PHE A 77 -10.907 -2.127 -6.306 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -11.520 -1.222 -7.155 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -10.582 -1.725 -5.022 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -11.801 0.060 -6.733 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -10.861 -0.445 -4.593 1.00 0.00 C ATOM 1248 CZ PHE A 77 -11.474 0.447 -5.449 1.00 0.00 C ATOM 0 H PHE A 77 -11.713 -5.153 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.628 -3.969 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.843 -3.952 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.205 -3.484 -7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.781 -1.523 -8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.105 -2.422 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -12.276 0.760 -7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -10.601 -0.141 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 77 -11.698 1.449 -5.114 1.00 0.00 H new ATOM 1258 N SER A 78 -11.351 -5.826 -8.683 1.00 0.00 N ATOM 1259 CA SER A 78 -11.063 -7.074 -9.374 1.00 0.00 C ATOM 1260 C SER A 78 -9.558 -7.337 -9.442 1.00 0.00 C ATOM 1261 O SER A 78 -9.126 -8.493 -9.449 1.00 0.00 O ATOM 1262 CB SER A 78 -11.665 -7.050 -10.783 1.00 0.00 C ATOM 1263 OG SER A 78 -11.415 -8.261 -11.482 1.00 0.00 O ATOM 0 H SER A 78 -11.443 -5.015 -9.295 1.00 0.00 H new ATOM 0 HA SER A 78 -11.519 -7.886 -8.808 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.740 -6.884 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.247 -6.214 -11.343 1.00 0.00 H new ATOM 0 HG SER A 78 -11.814 -8.211 -12.376 1.00 0.00 H new ATOM 1269 N SER A 79 -8.764 -6.271 -9.478 1.00 0.00 N ATOM 1270 CA SER A 79 -7.315 -6.406 -9.568 1.00 0.00 C ATOM 1271 C SER A 79 -6.621 -5.320 -8.754 1.00 0.00 C ATOM 1272 O SER A 79 -7.256 -4.350 -8.329 1.00 0.00 O ATOM 1273 CB SER A 79 -6.864 -6.329 -11.030 1.00 0.00 C ATOM 1274 OG SER A 79 -7.194 -5.074 -11.603 1.00 0.00 O ATOM 0 H SER A 79 -9.098 -5.308 -9.446 1.00 0.00 H new ATOM 0 HA SER A 79 -7.038 -7.378 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.787 -6.487 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.336 -7.128 -11.602 1.00 0.00 H new ATOM 0 HG SER A 79 -6.894 -5.051 -12.536 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.313 -5.477 -8.546 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.517 -4.499 -7.834 1.00 0.00 C ATOM 1282 C LEU A 80 -4.444 -3.181 -8.604 1.00 0.00 C ATOM 1283 O LEU A 80 -4.265 -2.117 -8.015 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.110 -5.051 -7.634 1.00 0.00 C ATOM 1285 CG LEU A 80 -2.940 -6.161 -6.590 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -3.117 -5.616 -5.182 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -3.872 -7.341 -6.814 1.00 0.00 C ATOM 0 H LEU A 80 -4.784 -6.287 -8.869 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.987 -4.304 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.755 -5.430 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.457 -4.223 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.922 -6.532 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.991 -6.424 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.372 -4.843 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.115 -5.190 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.701 -8.091 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.907 -7.001 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.677 -7.778 -7.793 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.591 -3.260 -9.923 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.520 -2.076 -10.773 1.00 0.00 C ATOM 1301 C GLN A 81 -5.681 -1.131 -10.469 1.00 0.00 C ATOM 1302 O GLN A 81 -5.499 0.082 -10.368 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.538 -2.487 -12.250 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.406 -1.325 -13.223 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.061 -0.632 -13.136 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.111 -1.006 -13.825 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -2.972 0.388 -12.297 1.00 0.00 N ATOM 0 H GLN A 81 -4.760 -4.131 -10.426 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.587 -1.552 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.725 -3.191 -12.430 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.469 -3.016 -12.457 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.556 -1.690 -14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.196 -0.600 -13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.783 0.666 -11.744 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.092 0.896 -12.203 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.867 -1.707 -10.312 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.062 -0.943 -9.971 1.00 0.00 C ATOM 1318 C GLN A 82 -7.970 -0.436 -8.537 1.00 0.00 C ATOM 1319 O GLN A 82 -8.498 0.626 -8.203 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.300 -1.823 -10.132 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.552 -2.269 -11.562 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.585 -3.373 -11.653 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -11.469 -3.491 -10.804 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.479 -4.192 -12.686 1.00 0.00 N ATOM 0 H GLN A 82 -7.028 -2.709 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.139 -0.088 -10.642 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.193 -2.704 -9.500 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.172 -1.277 -9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.885 -1.415 -12.152 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.616 -2.615 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.732 -4.059 -13.367 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.145 -4.956 -12.801 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.287 -1.217 -7.708 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.094 -0.911 -6.297 1.00 0.00 C ATOM 1335 C LEU A 83 -6.454 0.471 -6.125 1.00 0.00 C ATOM 1336 O LEU A 83 -7.093 1.411 -5.646 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.205 -2.014 -5.687 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.078 -2.072 -4.157 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.391 -0.831 -3.603 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.443 -2.273 -3.516 1.00 0.00 C ATOM 0 H LEU A 83 -6.847 -2.090 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.055 -0.885 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.586 -2.977 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.203 -1.903 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.450 -2.927 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.319 -0.908 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.391 -0.749 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.971 0.054 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.334 -2.312 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.097 -1.444 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.877 -3.208 -3.871 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.198 0.587 -6.536 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.421 1.803 -6.308 1.00 0.00 C ATOM 1354 C VAL A 84 -4.959 2.993 -7.095 1.00 0.00 C ATOM 1355 O VAL A 84 -5.030 4.107 -6.573 1.00 0.00 O ATOM 1356 CB VAL A 84 -2.934 1.600 -6.653 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.194 0.975 -5.483 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.772 0.725 -7.879 1.00 0.00 C ATOM 0 H VAL A 84 -4.692 -0.148 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.517 2.021 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.509 2.581 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.145 0.840 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.268 1.629 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.637 0.007 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.712 0.599 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.222 -0.250 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.265 1.195 -8.730 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.334 2.748 -8.342 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.876 3.788 -9.218 1.00 0.00 C ATOM 1370 C ALA A 85 -7.079 4.495 -8.593 1.00 0.00 C ATOM 1371 O ALA A 85 -7.352 5.659 -8.892 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.261 3.196 -10.564 1.00 0.00 C ATOM 0 H ALA A 85 -5.273 1.828 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.093 4.533 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.663 3.981 -11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.380 2.758 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.017 2.424 -10.419 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.803 3.791 -7.731 1.00 0.00 N ATOM 1379 CA TYR A 86 -8.951 4.379 -7.056 1.00 0.00 C ATOM 1380 C TYR A 86 -8.515 5.150 -5.817 1.00 0.00 C ATOM 1381 O TYR A 86 -8.845 6.327 -5.673 1.00 0.00 O ATOM 1382 CB TYR A 86 -9.966 3.303 -6.675 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.220 3.846 -6.019 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.194 4.494 -6.771 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.434 3.703 -4.654 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.343 4.982 -6.179 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.581 4.190 -4.055 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.533 4.828 -4.822 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.681 5.312 -4.234 1.00 0.00 O ATOM 0 H TYR A 86 -7.617 2.819 -7.485 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.425 5.075 -7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.247 2.749 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.491 2.593 -5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.050 4.618 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.691 3.203 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.090 5.483 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.731 4.071 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.661 5.122 -3.273 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.746 4.496 -4.947 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.336 5.095 -3.672 1.00 0.00 C ATOM 1401 C TYR A 87 -6.426 6.300 -3.884 1.00 0.00 C ATOM 1402 O TYR A 87 -6.212 7.097 -2.969 1.00 0.00 O ATOM 1403 CB TYR A 87 -6.635 4.061 -2.784 1.00 0.00 C ATOM 1404 CG TYR A 87 -7.511 2.897 -2.367 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -8.865 3.064 -2.139 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -6.976 1.636 -2.187 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -9.668 2.009 -1.750 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -7.770 0.574 -1.800 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.113 0.763 -1.581 1.00 0.00 C ATOM 1410 OH TYR A 87 -9.901 -0.297 -1.191 1.00 0.00 O ATOM 0 H TYR A 87 -7.393 3.551 -5.099 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.242 5.437 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.766 3.674 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.265 4.560 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.305 4.042 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.920 1.478 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.723 2.162 -1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.335 -0.406 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.351 -1.105 -1.120 1.00 0.00 H new ATOM 1420 N SER A 88 -5.888 6.425 -5.089 1.00 0.00 N ATOM 1421 CA SER A 88 -5.064 7.568 -5.447 1.00 0.00 C ATOM 1422 C SER A 88 -5.902 8.848 -5.459 1.00 0.00 C ATOM 1423 O SER A 88 -5.413 9.929 -5.132 1.00 0.00 O ATOM 1424 CB SER A 88 -4.422 7.337 -6.820 1.00 0.00 C ATOM 1425 OG SER A 88 -3.539 8.389 -7.169 1.00 0.00 O ATOM 0 H SER A 88 -6.009 5.744 -5.838 1.00 0.00 H new ATOM 0 HA SER A 88 -4.276 7.682 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.878 6.392 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.202 7.250 -7.577 1.00 0.00 H new ATOM 0 HG SER A 88 -3.076 8.707 -6.366 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.174 8.717 -5.810 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.048 9.877 -5.923 1.00 0.00 C ATOM 1433 C LYS A 89 -9.138 9.840 -4.860 1.00 0.00 C ATOM 1434 O LYS A 89 -9.471 10.863 -4.264 1.00 0.00 O ATOM 1435 CB LYS A 89 -8.668 9.937 -7.318 1.00 0.00 C ATOM 1436 CG LYS A 89 -7.637 9.987 -8.434 1.00 0.00 C ATOM 1437 CD LYS A 89 -6.688 11.160 -8.259 1.00 0.00 C ATOM 1438 CE LYS A 89 -5.560 11.124 -9.272 1.00 0.00 C ATOM 1439 NZ LYS A 89 -4.556 12.189 -9.014 1.00 0.00 N ATOM 0 H LYS A 89 -7.622 7.825 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.449 10.774 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.306 9.065 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.309 10.816 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.069 9.057 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.143 10.067 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.241 12.094 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.273 11.145 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.073 10.149 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.968 11.244 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.800 12.133 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.016 13.120 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.149 12.060 -8.066 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.685 8.658 -4.629 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.697 8.454 -3.601 1.00 0.00 C ATOM 1455 C HIS A 90 -10.202 7.421 -2.605 1.00 0.00 C ATOM 1456 O HIS A 90 -10.092 6.241 -2.931 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.019 7.985 -4.217 1.00 0.00 C ATOM 1458 CG HIS A 90 -12.838 9.074 -4.846 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.119 9.375 -4.439 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -12.564 9.921 -5.867 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.596 10.353 -5.180 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -13.676 10.705 -6.058 1.00 0.00 N ATOM 0 H HIS A 90 -9.442 7.813 -5.147 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.874 9.403 -3.095 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.804 7.228 -4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.615 7.502 -3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.642 9.971 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.577 10.794 -5.085 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -13.774 11.437 -6.761 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.901 7.867 -1.399 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.349 6.992 -0.378 1.00 0.00 C ATOM 1473 C ALA A 91 -10.410 6.036 0.153 1.00 0.00 C ATOM 1474 O ALA A 91 -10.131 4.865 0.402 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.758 7.813 0.755 1.00 0.00 C ATOM 0 H ALA A 91 -10.030 8.834 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.556 6.397 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.348 7.145 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.965 8.451 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.537 8.432 1.200 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.629 6.557 0.314 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.785 5.778 0.774 1.00 0.00 C ATOM 1483 C ASP A 92 -12.600 5.290 2.214 1.00 0.00 C ATOM 1484 O ASP A 92 -13.204 5.829 3.143 1.00 0.00 O ATOM 1485 CB ASP A 92 -13.059 4.598 -0.168 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.312 3.836 0.206 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -15.416 4.271 -0.193 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.202 2.796 0.890 1.00 0.00 O ATOM 0 H ASP A 92 -11.845 7.537 0.128 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.651 6.439 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.153 4.967 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.206 3.919 -0.152 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.772 4.274 2.392 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.493 3.759 3.716 1.00 0.00 C ATOM 1495 C GLY A 93 -10.166 4.263 4.244 1.00 0.00 C ATOM 1496 O GLY A 93 -10.004 4.485 5.445 1.00 0.00 O ATOM 0 H GLY A 93 -11.284 3.793 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.291 4.054 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.484 2.669 3.688 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.211 4.420 3.336 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.905 4.969 3.649 1.00 0.00 C ATOM 1502 C LEU A 94 -8.022 6.371 4.241 1.00 0.00 C ATOM 1503 O LEU A 94 -8.865 7.169 3.833 1.00 0.00 O ATOM 1504 CB LEU A 94 -7.049 5.004 2.380 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.693 3.633 1.797 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.867 2.993 1.083 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -5.491 3.741 0.872 1.00 0.00 C ATOM 0 H LEU A 94 -9.326 4.167 2.355 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.431 4.330 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.578 5.578 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.125 5.539 2.599 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.434 2.983 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.567 2.023 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.690 2.859 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.189 3.636 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.253 2.757 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.722 4.423 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.635 4.120 1.430 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.165 6.655 5.216 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.159 7.947 5.894 1.00 0.00 C ATOM 1521 C CYS A 95 -6.554 9.026 5.002 1.00 0.00 C ATOM 1522 O CYS A 95 -6.841 10.210 5.161 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.366 7.848 7.197 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.805 6.425 8.222 1.00 0.00 S ATOM 0 H CYS A 95 -6.460 6.002 5.557 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.190 8.222 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.303 7.797 6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.521 8.760 7.774 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.364 6.609 9.431 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.708 8.604 4.071 1.00 0.00 N ATOM 1531 CA HIS A 96 -5.069 9.523 3.148 1.00 0.00 C ATOM 1532 C HIS A 96 -5.078 8.929 1.744 1.00 0.00 C ATOM 1533 O HIS A 96 -5.016 7.711 1.574 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.637 9.825 3.606 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.936 10.847 2.760 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.262 12.180 2.825 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -1.957 10.677 1.840 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.479 12.787 1.950 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.672 11.917 1.327 1.00 0.00 N ATOM 0 H HIS A 96 -5.450 7.626 3.938 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.623 10.462 3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.661 10.175 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -3.059 8.901 3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.490 9.744 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.488 13.850 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.980 12.135 0.610 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.165 9.799 0.751 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.242 9.380 -0.641 1.00 0.00 C ATOM 1549 C ARG A 97 -3.839 9.142 -1.194 1.00 0.00 C ATOM 1550 O ARG A 97 -2.933 9.943 -0.958 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.958 10.456 -1.464 1.00 0.00 C ATOM 1552 CG ARG A 97 -7.291 10.886 -0.867 1.00 0.00 C ATOM 1553 CD ARG A 97 -8.005 11.902 -1.744 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.222 13.124 -1.945 1.00 0.00 N ATOM 1555 CZ ARG A 97 -7.109 13.746 -3.120 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.731 13.258 -4.188 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -6.393 14.860 -3.224 1.00 0.00 N ATOM 0 H ARG A 97 -5.184 10.810 0.885 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.805 8.449 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.309 11.328 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.125 10.080 -2.473 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.928 10.011 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.125 11.314 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.222 11.451 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.962 12.159 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.736 13.522 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.293 12.410 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.647 13.731 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.926 15.244 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.310 15.331 -4.125 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.669 8.041 -1.924 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.364 7.662 -2.467 1.00 0.00 C ATOM 1573 C LEU A 98 -1.789 8.791 -3.314 1.00 0.00 C ATOM 1574 O LEU A 98 -2.295 9.091 -4.395 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.479 6.386 -3.307 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.044 5.166 -2.572 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.107 3.970 -3.506 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.201 4.837 -1.349 1.00 0.00 C ATOM 0 H LEU A 98 -4.422 7.393 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.691 7.472 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.112 6.595 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.490 6.133 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.054 5.404 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.510 3.111 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.751 4.204 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.105 3.736 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.620 3.968 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.179 4.619 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.199 5.688 -0.668 1.00 0.00 H new ATOM 1590 N THR A 99 -0.736 9.417 -2.814 1.00 0.00 N ATOM 1591 CA THR A 99 -0.174 10.588 -3.459 1.00 0.00 C ATOM 1592 C THR A 99 0.985 10.213 -4.384 1.00 0.00 C ATOM 1593 O THR A 99 0.905 10.394 -5.602 1.00 0.00 O ATOM 1594 CB THR A 99 0.305 11.603 -2.404 1.00 0.00 C ATOM 1595 OG1 THR A 99 -0.707 11.759 -1.394 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.603 12.951 -3.040 1.00 0.00 C ATOM 0 H THR A 99 -0.254 9.132 -1.962 1.00 0.00 H new ATOM 0 HA THR A 99 -0.959 11.042 -4.064 1.00 0.00 H new ATOM 0 HB THR A 99 1.223 11.226 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.884 12.712 -1.253 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.939 13.649 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.384 12.834 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.300 13.338 -3.512 1.00 0.00 H new ATOM 1604 N ASN A 100 2.050 9.670 -3.809 1.00 0.00 N ATOM 1605 CA ASN A 100 3.247 9.332 -4.570 1.00 0.00 C ATOM 1606 C ASN A 100 3.734 7.947 -4.180 1.00 0.00 C ATOM 1607 O ASN A 100 3.577 7.527 -3.036 1.00 0.00 O ATOM 1608 CB ASN A 100 4.348 10.375 -4.325 1.00 0.00 C ATOM 1609 CG ASN A 100 4.764 10.466 -2.867 1.00 0.00 C ATOM 1610 OD1 ASN A 100 4.162 11.200 -2.081 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.809 9.744 -2.498 1.00 0.00 N ATOM 0 H ASN A 100 2.110 9.453 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 100 3.002 9.333 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.219 10.125 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.997 11.351 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.142 9.784 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.282 9.148 -3.177 1.00 0.00 H new ATOM 1618 N VAL A 101 4.306 7.230 -5.130 1.00 0.00 N ATOM 1619 CA VAL A 101 4.777 5.881 -4.860 1.00 0.00 C ATOM 1620 C VAL A 101 6.167 5.929 -4.232 1.00 0.00 C ATOM 1621 O VAL A 101 6.915 6.888 -4.437 1.00 0.00 O ATOM 1622 CB VAL A 101 4.825 5.009 -6.133 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.646 3.544 -5.770 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.776 5.437 -7.148 1.00 0.00 C ATOM 0 H VAL A 101 4.455 7.553 -6.086 1.00 0.00 H new ATOM 0 HA VAL A 101 4.065 5.427 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 101 5.803 5.146 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.681 2.938 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.445 3.236 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.683 3.406 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.842 4.800 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.784 5.345 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.950 6.474 -7.436 1.00 0.00 H new ATOM 1634 N CYS A 102 6.485 4.901 -3.457 1.00 0.00 N ATOM 1635 CA CYS A 102 7.770 4.794 -2.776 1.00 0.00 C ATOM 1636 C CYS A 102 8.934 4.802 -3.764 1.00 0.00 C ATOM 1637 O CYS A 102 8.879 4.151 -4.809 1.00 0.00 O ATOM 1638 CB CYS A 102 7.802 3.505 -1.946 1.00 0.00 C ATOM 1639 SG CYS A 102 9.374 3.199 -1.110 1.00 0.00 S ATOM 0 H CYS A 102 5.858 4.116 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 102 7.881 5.661 -2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.009 3.547 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.580 2.661 -2.599 1.00 0.00 H new ATOM 0 HG CYS A 102 10.350 3.333 -1.958 1.00 0.00 H new ATOM 1645 N PRO A 103 10.001 5.558 -3.443 1.00 0.00 N ATOM 1646 CA PRO A 103 11.229 5.585 -4.241 1.00 0.00 C ATOM 1647 C PRO A 103 11.943 4.238 -4.216 1.00 0.00 C ATOM 1648 O PRO A 103 11.912 3.526 -3.209 1.00 0.00 O ATOM 1649 CB PRO A 103 12.092 6.657 -3.562 1.00 0.00 C ATOM 1650 CG PRO A 103 11.155 7.421 -2.690 1.00 0.00 C ATOM 1651 CD PRO A 103 10.088 6.449 -2.281 1.00 0.00 C ATOM 0 HA PRO A 103 11.028 5.798 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.893 6.205 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.563 7.308 -4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.672 7.823 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.727 8.269 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.359 5.907 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.140 6.949 -2.082 1.00 0.00 H new ATOM 1659 N THR A 104 12.579 3.896 -5.323 1.00 0.00 N ATOM 1660 CA THR A 104 13.256 2.619 -5.459 1.00 0.00 C ATOM 1661 C THR A 104 14.713 2.700 -4.998 1.00 0.00 C ATOM 1662 O THR A 104 15.259 3.795 -4.845 1.00 0.00 O ATOM 1663 CB THR A 104 13.197 2.136 -6.919 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.334 3.254 -7.811 1.00 0.00 O ATOM 1665 CG2 THR A 104 11.889 1.412 -7.202 1.00 0.00 C ATOM 0 H THR A 104 12.640 4.492 -6.148 1.00 0.00 H new ATOM 0 HA THR A 104 12.739 1.904 -4.819 1.00 0.00 H new ATOM 0 HB THR A 104 14.019 1.438 -7.080 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.297 2.939 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.873 1.081 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.802 0.547 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.053 2.088 -7.024 1.00 0.00 H new ATOM 1673 N SER A 105 15.321 1.530 -4.770 1.00 0.00 N ATOM 1674 CA SER A 105 16.723 1.420 -4.351 1.00 0.00 C ATOM 1675 C SER A 105 16.984 2.111 -3.008 1.00 0.00 C ATOM 1676 O SER A 105 17.165 3.328 -2.939 1.00 0.00 O ATOM 1677 CB SER A 105 17.651 1.982 -5.434 1.00 0.00 C ATOM 1678 OG SER A 105 17.513 1.254 -6.645 1.00 0.00 O ATOM 0 H SER A 105 14.853 0.630 -4.871 1.00 0.00 H new ATOM 0 HA SER A 105 16.937 0.360 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.419 3.033 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.685 1.936 -5.093 1.00 0.00 H new ATOM 0 HG SER A 105 18.113 1.630 -7.323 1.00 0.00 H new ATOM 1684 N LYS A 106 17.003 1.320 -1.940 1.00 0.00 N ATOM 1685 CA LYS A 106 17.290 1.839 -0.611 1.00 0.00 C ATOM 1686 C LYS A 106 18.774 2.197 -0.498 1.00 0.00 C ATOM 1687 O LYS A 106 19.079 3.359 -0.157 1.00 0.00 O ATOM 1688 CB LYS A 106 16.881 0.826 0.473 1.00 0.00 C ATOM 1689 CG LYS A 106 17.705 -0.446 0.475 1.00 0.00 C ATOM 1690 CD LYS A 106 17.177 -1.477 1.455 1.00 0.00 C ATOM 1691 CE LYS A 106 18.166 -2.620 1.626 1.00 0.00 C ATOM 1692 NZ LYS A 106 18.679 -3.107 0.319 1.00 0.00 N ATOM 1693 OXT LYS A 106 19.626 1.334 -0.800 1.00 0.00 O ATOM 0 H LYS A 106 16.823 0.317 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 106 16.703 2.744 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 106 16.965 1.302 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.832 0.566 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.712 -0.873 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.738 -0.206 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 106 16.990 -1.005 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.223 -1.866 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 106 19.001 -2.289 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.684 -3.441 2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 19.140 -4.030 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.888 -3.206 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 19.368 -2.426 -0.059 1.00 0.00 H new TER 1707 LYS A 106