USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=33 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 95 CYS SG : rot -23:sc= 0.234 USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.901! C(o=-0.67!,f=-7.5!) USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 HIS : no HE2:sc= 1.05 K(o=1,f=-5.9!) USER MOD Set 3.1: A 81 GLN : amide:sc= -0.166 X(o=-0.66,f=-0.94) USER MOD Set 3.2: A 82 GLN : amide:sc= -0.49 X(o=-0.66,f=-0.94) USER MOD Set 4.1: A 24 ASN : amide:sc= 1.85 K(o=4.1,f=0.47!) USER MOD Set 4.2: A 28 THR OG1 : rot 87:sc= 1.86 USER MOD Set 4.3: A 46 SER OG : rot 65:sc= -0.699 USER MOD Set 4.4: A 100 ASN : amide:sc= 1.08 K(o=4.1,f=2.5) USER MOD Single : A 1 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.31) USER MOD Single : A 1 GLN N :NH3+ -171:sc= 0 (180deg=-0.0898) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -76:sc= 1 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.535) USER MOD Single : A 41 TYR OH : rot -142:sc= 1.32 USER MOD Single : A 42 CYS SG : rot -150:sc=-0.00386 USER MOD Single : A 44 SER OG : rot 180:sc= -1.08 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc=-0.00542 (180deg=-0.114) USER MOD Single : A 55 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 136:sc= 0.73 (180deg=0.0271) USER MOD Single : A 58 HIS : no HD1:sc= 0.299 K(o=0.3,f=-4.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.312 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0.207 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 129:sc= 1.2 USER MOD Single : A 76 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.23) 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 87 TYR OH : rot -43:sc= 0.292 USER MOD Single : A 88 SER OG : rot 76:sc= 1.03 USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -0.0174 (180deg=-0.169) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 28:sc= 0.0178 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.099 -6.947 -15.889 1.00 0.00 N ATOM 2 CA GLN A 1 7.443 -5.637 -15.696 1.00 0.00 C ATOM 3 C GLN A 1 7.197 -5.383 -14.217 1.00 0.00 C ATOM 4 O GLN A 1 6.140 -5.717 -13.678 1.00 0.00 O ATOM 5 CB GLN A 1 6.119 -5.584 -16.461 1.00 0.00 C ATOM 6 CG GLN A 1 6.282 -5.642 -17.969 1.00 0.00 C ATOM 7 CD GLN A 1 7.065 -4.466 -18.513 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.293 -4.518 -18.613 1.00 0.00 O ATOM 9 NE2 GLN A 1 6.367 -3.400 -18.865 1.00 0.00 N ATOM 0 H1 GLN A 1 8.399 -7.043 -16.880 1.00 0.00 H new ATOM 0 H2 GLN A 1 8.931 -7.014 -15.268 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.430 -7.708 -15.655 1.00 0.00 H new ATOM 0 HA GLN A 1 8.104 -4.861 -16.083 1.00 0.00 H new ATOM 0 HB2 GLN A 1 5.491 -6.415 -16.140 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.593 -4.667 -16.196 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.788 -6.568 -18.241 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.298 -5.667 -18.437 1.00 0.00 H new ATOM 0 HE21 GLN A 1 5.352 -3.399 -18.766 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.844 -2.578 -19.236 1.00 0.00 H new ATOM 20 N ALA A 2 8.197 -4.815 -13.560 1.00 0.00 N ATOM 21 CA ALA A 2 8.079 -4.450 -12.161 1.00 0.00 C ATOM 22 C ALA A 2 7.379 -3.106 -12.034 1.00 0.00 C ATOM 23 O ALA A 2 8.021 -2.055 -12.049 1.00 0.00 O ATOM 24 CB ALA A 2 9.452 -4.409 -11.508 1.00 0.00 C ATOM 0 H ALA A 2 9.102 -4.597 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 2 7.481 -5.202 -11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.348 -4.134 -10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.919 -5.391 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.075 -3.673 -12.016 1.00 0.00 H new ATOM 30 N GLU A 3 6.058 -3.146 -11.943 1.00 0.00 N ATOM 31 CA GLU A 3 5.268 -1.931 -11.835 1.00 0.00 C ATOM 32 C GLU A 3 5.510 -1.256 -10.493 1.00 0.00 C ATOM 33 O GLU A 3 5.616 -1.928 -9.471 1.00 0.00 O ATOM 34 CB GLU A 3 3.782 -2.237 -12.028 1.00 0.00 C ATOM 35 CG GLU A 3 3.461 -2.809 -13.401 1.00 0.00 C ATOM 36 CD GLU A 3 3.997 -1.948 -14.527 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.454 -0.845 -14.751 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.970 -2.363 -15.190 1.00 0.00 O ATOM 0 H GLU A 3 5.512 -4.007 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 3 5.579 -1.246 -12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.461 -2.944 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.207 -1.323 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.883 -3.811 -13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.381 -2.908 -13.506 1.00 0.00 H new ATOM 45 N GLU A 4 5.588 0.072 -10.521 1.00 0.00 N ATOM 46 CA GLU A 4 6.013 0.873 -9.369 1.00 0.00 C ATOM 47 C GLU A 4 5.313 0.478 -8.071 1.00 0.00 C ATOM 48 O GLU A 4 5.971 0.213 -7.068 1.00 0.00 O ATOM 49 CB GLU A 4 5.764 2.355 -9.643 1.00 0.00 C ATOM 50 CG GLU A 4 6.523 2.886 -10.842 1.00 0.00 C ATOM 51 CD GLU A 4 6.289 4.362 -11.060 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.025 5.179 -10.470 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.364 4.716 -11.816 1.00 0.00 O ATOM 0 H GLU A 4 5.358 0.628 -11.345 1.00 0.00 H new ATOM 0 HA GLU A 4 7.077 0.680 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.697 2.513 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.045 2.931 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.589 2.706 -10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.220 2.337 -11.733 1.00 0.00 H new ATOM 60 N TRP A 5 3.987 0.449 -8.094 1.00 0.00 N ATOM 61 CA TRP A 5 3.212 0.165 -6.889 1.00 0.00 C ATOM 62 C TRP A 5 3.458 -1.255 -6.388 1.00 0.00 C ATOM 63 O TRP A 5 3.601 -1.478 -5.185 1.00 0.00 O ATOM 64 CB TRP A 5 1.715 0.414 -7.128 1.00 0.00 C ATOM 65 CG TRP A 5 1.201 -0.098 -8.442 1.00 0.00 C ATOM 66 CD1 TRP A 5 1.246 0.551 -9.642 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.547 -1.348 -8.686 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.674 -0.224 -10.618 1.00 0.00 N ATOM 69 CE2 TRP A 5 0.235 -1.393 -10.058 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.197 -2.435 -7.880 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.403 -2.483 -10.640 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.437 -3.515 -8.458 1.00 0.00 C ATOM 73 CH2 TRP A 5 -0.734 -3.532 -9.827 1.00 0.00 C ATOM 0 H TRP A 5 3.426 0.618 -8.929 1.00 0.00 H new ATOM 0 HA TRP A 5 3.549 0.850 -6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.149 -0.055 -6.323 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.524 1.486 -7.070 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.670 1.532 -9.800 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.589 0.030 -11.602 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.419 -2.429 -6.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.629 -2.501 -11.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.709 -4.362 -7.845 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.235 -4.391 -10.249 1.00 0.00 H new ATOM 84 N TYR A 6 3.534 -2.203 -7.309 1.00 0.00 N ATOM 85 CA TYR A 6 3.741 -3.598 -6.955 1.00 0.00 C ATOM 86 C TYR A 6 5.230 -3.886 -6.796 1.00 0.00 C ATOM 87 O TYR A 6 5.894 -4.340 -7.730 1.00 0.00 O ATOM 88 CB TYR A 6 3.129 -4.515 -8.017 1.00 0.00 C ATOM 89 CG TYR A 6 3.109 -5.976 -7.624 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.223 -6.441 -6.661 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.974 -6.890 -8.215 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.199 -7.771 -6.296 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.956 -8.223 -7.855 1.00 0.00 C ATOM 94 CZ TYR A 6 3.068 -8.659 -6.895 1.00 0.00 C ATOM 95 OH TYR A 6 3.045 -9.986 -6.533 1.00 0.00 O ATOM 0 H TYR A 6 3.455 -2.030 -8.311 1.00 0.00 H new ATOM 0 HA TYR A 6 3.245 -3.794 -6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.109 -4.189 -8.221 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.690 -4.406 -8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.541 -5.749 -6.190 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.671 -6.552 -8.968 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.503 -8.115 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.634 -8.921 -8.323 1.00 0.00 H new ATOM 0 HH TYR A 6 3.718 -10.477 -7.049 1.00 0.00 H new ATOM 105 N PHE A 7 5.748 -3.624 -5.602 1.00 0.00 N ATOM 106 CA PHE A 7 7.168 -3.837 -5.318 1.00 0.00 C ATOM 107 C PHE A 7 7.528 -5.318 -5.329 1.00 0.00 C ATOM 108 O PHE A 7 8.706 -5.679 -5.362 1.00 0.00 O ATOM 109 CB PHE A 7 7.545 -3.215 -3.974 1.00 0.00 C ATOM 110 CG PHE A 7 8.073 -1.815 -4.090 1.00 0.00 C ATOM 111 CD1 PHE A 7 7.217 -0.746 -4.282 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.436 -1.573 -4.010 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.710 0.541 -4.392 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.934 -0.289 -4.118 1.00 0.00 C ATOM 115 CZ PHE A 7 9.069 0.769 -4.310 1.00 0.00 C ATOM 0 H PHE A 7 5.210 -3.264 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 7 7.736 -3.348 -6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.669 -3.212 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.297 -3.840 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.153 -0.918 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.117 -2.398 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.032 1.368 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.998 -0.114 -4.052 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.455 1.774 -4.396 1.00 0.00 H new ATOM 125 N GLY A 8 6.518 -6.169 -5.305 1.00 0.00 N ATOM 126 CA GLY A 8 6.756 -7.593 -5.344 1.00 0.00 C ATOM 127 C GLY A 8 6.670 -8.217 -3.975 1.00 0.00 C ATOM 128 O GLY A 8 5.925 -7.745 -3.120 1.00 0.00 O ATOM 0 H GLY A 8 5.536 -5.899 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.028 -8.064 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.742 -7.784 -5.769 1.00 0.00 H new ATOM 132 N LYS A 9 7.450 -9.258 -3.756 1.00 0.00 N ATOM 133 CA LYS A 9 7.399 -10.003 -2.510 1.00 0.00 C ATOM 134 C LYS A 9 8.470 -9.513 -1.542 1.00 0.00 C ATOM 135 O LYS A 9 9.245 -10.302 -0.998 1.00 0.00 O ATOM 136 CB LYS A 9 7.569 -11.497 -2.786 1.00 0.00 C ATOM 137 CG LYS A 9 6.533 -12.050 -3.749 1.00 0.00 C ATOM 138 CD LYS A 9 6.759 -13.521 -4.048 1.00 0.00 C ATOM 139 CE LYS A 9 5.761 -14.033 -5.072 1.00 0.00 C ATOM 140 NZ LYS A 9 6.026 -15.443 -5.454 1.00 0.00 N ATOM 0 H LYS A 9 8.131 -9.610 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 9 6.426 -9.839 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.565 -11.674 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.508 -12.043 -1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.537 -11.915 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.564 -11.483 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.773 -13.668 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.670 -14.100 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.752 -13.951 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.799 -13.404 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.322 -15.751 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.978 -15.518 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.964 -16.049 -4.611 1.00 0.00 H new ATOM 154 N ILE A 10 8.516 -8.202 -1.343 1.00 0.00 N ATOM 155 CA ILE A 10 9.448 -7.610 -0.397 1.00 0.00 C ATOM 156 C ILE A 10 8.970 -7.853 1.027 1.00 0.00 C ATOM 157 O ILE A 10 7.764 -7.905 1.290 1.00 0.00 O ATOM 158 CB ILE A 10 9.624 -6.092 -0.627 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.294 -5.357 -0.444 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.198 -5.826 -2.011 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.415 -3.853 -0.527 1.00 0.00 C ATOM 0 H ILE A 10 7.918 -7.530 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 10 10.415 -8.088 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 10 10.326 -5.713 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.592 -5.699 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.871 -5.626 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.315 -4.752 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.169 -6.313 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.521 -6.222 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.433 -3.401 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.091 -3.499 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.808 -3.573 -1.504 1.00 0.00 H new ATOM 173 N THR A 11 9.912 -8.004 1.942 1.00 0.00 N ATOM 174 CA THR A 11 9.576 -8.280 3.327 1.00 0.00 C ATOM 175 C THR A 11 9.028 -7.035 4.017 1.00 0.00 C ATOM 176 O THR A 11 9.284 -5.907 3.580 1.00 0.00 O ATOM 177 CB THR A 11 10.794 -8.815 4.114 1.00 0.00 C ATOM 178 OG1 THR A 11 11.917 -7.930 3.969 1.00 0.00 O ATOM 179 CG2 THR A 11 11.176 -10.209 3.641 1.00 0.00 C ATOM 0 H THR A 11 10.912 -7.940 1.751 1.00 0.00 H new ATOM 0 HA THR A 11 8.805 -9.051 3.318 1.00 0.00 H new ATOM 0 HB THR A 11 10.515 -8.867 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.319 -8.053 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.036 -10.563 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.336 -10.887 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.430 -10.177 2.582 1.00 0.00 H new ATOM 187 N ARG A 12 8.271 -7.243 5.088 1.00 0.00 N ATOM 188 CA ARG A 12 7.731 -6.139 5.879 1.00 0.00 C ATOM 189 C ARG A 12 8.865 -5.248 6.372 1.00 0.00 C ATOM 190 O ARG A 12 8.727 -4.025 6.442 1.00 0.00 O ATOM 191 CB ARG A 12 6.915 -6.684 7.054 1.00 0.00 C ATOM 192 CG ARG A 12 7.701 -7.602 7.977 1.00 0.00 C ATOM 193 CD ARG A 12 6.779 -8.398 8.884 1.00 0.00 C ATOM 194 NE ARG A 12 5.944 -7.534 9.710 1.00 0.00 N ATOM 195 CZ ARG A 12 4.703 -7.837 10.088 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.135 -8.965 9.671 1.00 0.00 N ATOM 197 NH2 ARG A 12 4.029 -7.007 10.870 1.00 0.00 N ATOM 0 H ARG A 12 8.015 -8.169 5.431 1.00 0.00 H new ATOM 0 HA ARG A 12 7.070 -5.539 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.528 -5.846 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.054 -7.227 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.308 -8.285 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.388 -7.010 8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.144 -9.044 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.374 -9.048 9.526 1.00 0.00 H new ATOM 0 HE ARG A 12 6.334 -6.643 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.650 -9.600 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.185 -9.195 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.460 -6.137 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.079 -7.238 11.160 1.00 0.00 H new ATOM 211 N ARG A 13 9.989 -5.891 6.679 1.00 0.00 N ATOM 212 CA ARG A 13 11.218 -5.212 7.060 1.00 0.00 C ATOM 213 C ARG A 13 11.573 -4.123 6.051 1.00 0.00 C ATOM 214 O ARG A 13 11.682 -2.951 6.400 1.00 0.00 O ATOM 215 CB ARG A 13 12.339 -6.255 7.141 1.00 0.00 C ATOM 216 CG ARG A 13 13.751 -5.691 7.092 1.00 0.00 C ATOM 217 CD ARG A 13 14.764 -6.807 6.906 1.00 0.00 C ATOM 218 NE ARG A 13 14.405 -7.680 5.785 1.00 0.00 N ATOM 219 CZ ARG A 13 14.971 -8.862 5.541 1.00 0.00 C ATOM 220 NH1 ARG A 13 15.972 -9.301 6.293 1.00 0.00 N ATOM 221 NH2 ARG A 13 14.538 -9.600 4.529 1.00 0.00 N ATOM 0 H ARG A 13 10.070 -6.908 6.669 1.00 0.00 H new ATOM 0 HA ARG A 13 11.086 -4.729 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.222 -6.820 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.218 -6.960 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.835 -4.976 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.964 -5.148 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.751 -6.378 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.829 -7.396 7.821 1.00 0.00 H new ATOM 0 HE ARG A 13 13.673 -7.362 5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.316 -8.732 7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.398 -10.207 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.775 -9.263 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.967 -10.505 4.338 1.00 0.00 H new ATOM 235 N GLU A 14 11.712 -4.523 4.792 1.00 0.00 N ATOM 236 CA GLU A 14 12.127 -3.614 3.730 1.00 0.00 C ATOM 237 C GLU A 14 11.043 -2.583 3.440 1.00 0.00 C ATOM 238 O GLU A 14 11.323 -1.392 3.320 1.00 0.00 O ATOM 239 CB GLU A 14 12.429 -4.409 2.464 1.00 0.00 C ATOM 240 CG GLU A 14 13.475 -5.489 2.670 1.00 0.00 C ATOM 241 CD GLU A 14 13.493 -6.494 1.543 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.609 -7.379 1.527 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.381 -6.400 0.670 1.00 0.00 O ATOM 0 H GLU A 14 11.542 -5.479 4.480 1.00 0.00 H new ATOM 0 HA GLU A 14 13.024 -3.088 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.509 -4.868 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.770 -3.726 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.458 -5.027 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.281 -6.005 3.610 1.00 0.00 H new ATOM 250 N SER A 15 9.806 -3.060 3.352 1.00 0.00 N ATOM 251 CA SER A 15 8.669 -2.227 2.985 1.00 0.00 C ATOM 252 C SER A 15 8.563 -0.990 3.877 1.00 0.00 C ATOM 253 O SER A 15 8.608 0.147 3.393 1.00 0.00 O ATOM 254 CB SER A 15 7.380 -3.051 3.074 1.00 0.00 C ATOM 255 OG SER A 15 6.253 -2.320 2.615 1.00 0.00 O ATOM 0 H SER A 15 9.565 -4.034 3.533 1.00 0.00 H new ATOM 0 HA SER A 15 8.818 -1.883 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.489 -3.960 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.217 -3.360 4.107 1.00 0.00 H new ATOM 0 HG SER A 15 5.450 -2.878 2.685 1.00 0.00 H new ATOM 261 N GLU A 16 8.439 -1.207 5.175 1.00 0.00 N ATOM 262 CA GLU A 16 8.211 -0.102 6.087 1.00 0.00 C ATOM 263 C GLU A 16 9.487 0.706 6.273 1.00 0.00 C ATOM 264 O GLU A 16 9.444 1.927 6.368 1.00 0.00 O ATOM 265 CB GLU A 16 7.669 -0.611 7.425 1.00 0.00 C ATOM 266 CG GLU A 16 8.702 -0.783 8.520 1.00 0.00 C ATOM 267 CD GLU A 16 8.109 -1.389 9.768 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.020 -2.631 9.847 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.717 -0.629 10.677 1.00 0.00 O ATOM 0 H GLU A 16 8.492 -2.125 5.616 1.00 0.00 H new ATOM 0 HA GLU A 16 7.459 0.558 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.904 0.082 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.178 -1.570 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.511 -1.418 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.140 0.186 8.760 1.00 0.00 H new ATOM 276 N ARG A 17 10.624 0.015 6.282 1.00 0.00 N ATOM 277 CA ARG A 17 11.920 0.666 6.461 1.00 0.00 C ATOM 278 C ARG A 17 12.136 1.740 5.399 1.00 0.00 C ATOM 279 O ARG A 17 12.684 2.804 5.685 1.00 0.00 O ATOM 280 CB ARG A 17 13.052 -0.363 6.397 1.00 0.00 C ATOM 281 CG ARG A 17 14.378 0.156 6.925 1.00 0.00 C ATOM 282 CD ARG A 17 14.290 0.495 8.404 1.00 0.00 C ATOM 283 NE ARG A 17 15.560 0.993 8.931 1.00 0.00 N ATOM 284 CZ ARG A 17 15.660 1.851 9.943 1.00 0.00 C ATOM 285 NH1 ARG A 17 14.573 2.248 10.592 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.854 2.283 10.329 1.00 0.00 N ATOM 0 H ARG A 17 10.675 -0.997 6.167 1.00 0.00 H new ATOM 0 HA ARG A 17 11.927 1.138 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.763 -1.244 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.183 -0.683 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.153 -0.594 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.673 1.042 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.515 1.246 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.990 -0.392 8.962 1.00 0.00 H new ATOM 0 HE ARG A 17 16.422 0.662 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.657 1.895 10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.654 2.906 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.694 1.957 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.932 2.941 11.105 1.00 0.00 H new ATOM 300 N LEU A 18 11.694 1.455 4.177 1.00 0.00 N ATOM 301 CA LEU A 18 11.771 2.420 3.085 1.00 0.00 C ATOM 302 C LEU A 18 10.913 3.642 3.386 1.00 0.00 C ATOM 303 O LEU A 18 11.301 4.774 3.102 1.00 0.00 O ATOM 304 CB LEU A 18 11.314 1.780 1.767 1.00 0.00 C ATOM 305 CG LEU A 18 12.214 0.665 1.235 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.614 0.049 -0.016 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.611 1.195 0.945 1.00 0.00 C ATOM 0 H LEU A 18 11.278 0.561 3.918 1.00 0.00 H new ATOM 0 HA LEU A 18 12.810 2.734 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.310 1.379 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.243 2.560 1.009 1.00 0.00 H new ATOM 0 HG LEU A 18 12.290 -0.107 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.268 -0.743 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.634 -0.368 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.508 0.815 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.236 0.386 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.552 1.987 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.047 1.593 1.862 1.00 0.00 H new ATOM 319 N LEU A 19 9.748 3.406 3.975 1.00 0.00 N ATOM 320 CA LEU A 19 8.819 4.489 4.274 1.00 0.00 C ATOM 321 C LEU A 19 9.244 5.290 5.507 1.00 0.00 C ATOM 322 O LEU A 19 8.745 6.391 5.731 1.00 0.00 O ATOM 323 CB LEU A 19 7.400 3.951 4.465 1.00 0.00 C ATOM 324 CG LEU A 19 6.846 3.123 3.305 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.369 2.852 3.513 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.072 3.820 1.973 1.00 0.00 C ATOM 0 H LEU A 19 9.425 2.480 4.254 1.00 0.00 H new ATOM 0 HA LEU A 19 8.834 5.163 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.381 3.339 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.731 4.794 4.638 1.00 0.00 H new ATOM 0 HG LEU A 19 7.381 2.174 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.987 2.262 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.228 2.302 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.829 3.798 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.667 3.207 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.570 4.788 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.141 3.966 1.816 1.00 0.00 H new ATOM 338 N LEU A 20 10.156 4.746 6.312 1.00 0.00 N ATOM 339 CA LEU A 20 10.685 5.481 7.457 1.00 0.00 C ATOM 340 C LEU A 20 11.705 6.530 7.028 1.00 0.00 C ATOM 341 O LEU A 20 12.203 7.287 7.861 1.00 0.00 O ATOM 342 CB LEU A 20 11.325 4.540 8.480 1.00 0.00 C ATOM 343 CG LEU A 20 10.400 4.045 9.597 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.517 5.175 10.115 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.559 2.868 9.145 1.00 0.00 C ATOM 0 H LEU A 20 10.540 3.808 6.194 1.00 0.00 H new ATOM 0 HA LEU A 20 9.837 5.984 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.721 3.673 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.173 5.051 8.935 1.00 0.00 H new ATOM 0 HG LEU A 20 11.032 3.702 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.870 4.797 10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.144 5.975 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.905 5.561 9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.916 2.545 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.944 3.165 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.212 2.046 8.850 1.00 0.00 H new ATOM 357 N ASN A 21 12.027 6.565 5.741 1.00 0.00 N ATOM 358 CA ASN A 21 12.955 7.565 5.213 1.00 0.00 C ATOM 359 C ASN A 21 12.275 8.927 5.148 1.00 0.00 C ATOM 360 O ASN A 21 11.388 9.137 4.325 1.00 0.00 O ATOM 361 CB ASN A 21 13.463 7.161 3.823 1.00 0.00 C ATOM 362 CG ASN A 21 14.420 5.983 3.867 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.156 5.801 4.836 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.414 5.172 2.819 1.00 0.00 N ATOM 0 H ASN A 21 11.662 5.916 5.043 1.00 0.00 H new ATOM 0 HA ASN A 21 13.811 7.626 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.613 6.909 3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.963 8.013 3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.035 4.363 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.789 5.357 2.035 1.00 0.00 H new ATOM 371 N PRO A 22 12.703 9.872 6.005 1.00 0.00 N ATOM 372 CA PRO A 22 12.046 11.187 6.164 1.00 0.00 C ATOM 373 C PRO A 22 11.950 11.995 4.869 1.00 0.00 C ATOM 374 O PRO A 22 11.205 12.972 4.792 1.00 0.00 O ATOM 375 CB PRO A 22 12.946 11.914 7.173 1.00 0.00 C ATOM 376 CG PRO A 22 13.653 10.828 7.904 1.00 0.00 C ATOM 377 CD PRO A 22 13.866 9.737 6.898 1.00 0.00 C ATOM 0 HA PRO A 22 11.010 11.067 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.651 12.576 6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.359 12.532 7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.602 11.180 8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.061 10.473 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.805 9.864 6.359 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.900 8.755 7.370 1.00 0.00 H new ATOM 385 N GLU A 23 12.701 11.589 3.854 1.00 0.00 N ATOM 386 CA GLU A 23 12.696 12.281 2.574 1.00 0.00 C ATOM 387 C GLU A 23 11.421 11.994 1.777 1.00 0.00 C ATOM 388 O GLU A 23 11.157 12.646 0.767 1.00 0.00 O ATOM 389 CB GLU A 23 13.933 11.898 1.756 1.00 0.00 C ATOM 390 CG GLU A 23 14.069 10.406 1.502 1.00 0.00 C ATOM 391 CD GLU A 23 15.296 10.074 0.683 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.377 9.865 1.275 1.00 0.00 O ATOM 393 OE2 GLU A 23 15.191 10.030 -0.561 1.00 0.00 O ATOM 0 H GLU A 23 13.323 10.781 3.894 1.00 0.00 H new ATOM 0 HA GLU A 23 12.722 13.351 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.898 12.417 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.823 12.250 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.118 9.880 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.180 10.045 0.984 1.00 0.00 H new ATOM 400 N ASN A 24 10.629 11.026 2.225 1.00 0.00 N ATOM 401 CA ASN A 24 9.375 10.710 1.548 1.00 0.00 C ATOM 402 C ASN A 24 8.207 11.376 2.280 1.00 0.00 C ATOM 403 O ASN A 24 8.179 11.422 3.511 1.00 0.00 O ATOM 404 CB ASN A 24 9.169 9.185 1.431 1.00 0.00 C ATOM 405 CG ASN A 24 8.369 8.571 2.569 1.00 0.00 C ATOM 406 OD1 ASN A 24 7.149 8.462 2.494 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.048 8.150 3.614 1.00 0.00 N ATOM 0 H ASN A 24 10.829 10.452 3.044 1.00 0.00 H new ATOM 0 HA ASN A 24 9.419 11.105 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.663 8.970 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.145 8.701 1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.561 7.716 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.062 8.258 3.641 1.00 0.00 H new ATOM 414 N PRO A 25 7.253 11.939 1.524 1.00 0.00 N ATOM 415 CA PRO A 25 6.122 12.679 2.082 1.00 0.00 C ATOM 416 C PRO A 25 4.918 11.795 2.418 1.00 0.00 C ATOM 417 O PRO A 25 4.890 10.605 2.098 1.00 0.00 O ATOM 418 CB PRO A 25 5.773 13.629 0.940 1.00 0.00 C ATOM 419 CG PRO A 25 6.089 12.862 -0.301 1.00 0.00 C ATOM 420 CD PRO A 25 7.212 11.916 0.049 1.00 0.00 C ATOM 0 HA PRO A 25 6.373 13.158 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.722 13.916 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.356 14.548 0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.215 12.313 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.386 13.534 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.020 10.912 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.158 12.243 -0.382 1.00 0.00 H new ATOM 428 N ARG A 26 3.923 12.400 3.057 1.00 0.00 N ATOM 429 CA ARG A 26 2.682 11.716 3.383 1.00 0.00 C ATOM 430 C ARG A 26 1.908 11.418 2.106 1.00 0.00 C ATOM 431 O ARG A 26 1.675 12.311 1.293 1.00 0.00 O ATOM 432 CB ARG A 26 1.825 12.583 4.309 1.00 0.00 C ATOM 433 CG ARG A 26 0.481 11.963 4.650 1.00 0.00 C ATOM 434 CD ARG A 26 -0.509 13.006 5.136 1.00 0.00 C ATOM 435 NE ARG A 26 -0.111 13.629 6.399 1.00 0.00 N ATOM 436 CZ ARG A 26 -0.858 14.529 7.042 1.00 0.00 C ATOM 437 NH1 ARG A 26 -2.025 14.901 6.531 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.443 15.049 8.190 1.00 0.00 N ATOM 0 H ARG A 26 3.955 13.373 3.361 1.00 0.00 H new ATOM 0 HA ARG A 26 2.920 10.782 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.375 12.768 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.660 13.551 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.078 11.460 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.615 11.202 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.617 13.779 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.487 12.541 5.259 1.00 0.00 H new ATOM 0 HE ARG A 26 0.784 13.362 6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.347 14.499 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.599 15.588 7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.452 14.761 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.019 15.736 8.676 1.00 0.00 H new ATOM 452 N GLY A 27 1.509 10.169 1.937 1.00 0.00 N ATOM 453 CA GLY A 27 0.811 9.777 0.733 1.00 0.00 C ATOM 454 C GLY A 27 1.617 8.790 -0.080 1.00 0.00 C ATOM 455 O GLY A 27 1.149 8.289 -1.106 1.00 0.00 O ATOM 0 H GLY A 27 1.656 9.419 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.150 9.334 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.600 10.660 0.130 1.00 0.00 H new ATOM 459 N THR A 28 2.838 8.534 0.374 1.00 0.00 N ATOM 460 CA THR A 28 3.696 7.533 -0.233 1.00 0.00 C ATOM 461 C THR A 28 3.197 6.135 0.119 1.00 0.00 C ATOM 462 O THR A 28 2.931 5.846 1.282 1.00 0.00 O ATOM 463 CB THR A 28 5.147 7.702 0.245 1.00 0.00 C ATOM 464 OG1 THR A 28 5.576 9.053 0.020 1.00 0.00 O ATOM 465 CG2 THR A 28 6.082 6.748 -0.480 1.00 0.00 C ATOM 0 H THR A 28 3.257 9.014 1.170 1.00 0.00 H new ATOM 0 HA THR A 28 3.667 7.665 -1.315 1.00 0.00 H new ATOM 0 HB THR A 28 5.181 7.472 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.319 9.610 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.100 6.892 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.772 5.720 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.045 6.946 -1.551 1.00 0.00 H new ATOM 473 N PHE A 29 3.054 5.280 -0.884 1.00 0.00 N ATOM 474 CA PHE A 29 2.515 3.945 -0.665 1.00 0.00 C ATOM 475 C PHE A 29 3.229 2.908 -1.520 1.00 0.00 C ATOM 476 O PHE A 29 3.884 3.247 -2.507 1.00 0.00 O ATOM 477 CB PHE A 29 1.019 3.921 -0.986 1.00 0.00 C ATOM 478 CG PHE A 29 0.710 4.112 -2.448 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.655 5.383 -3.000 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.476 3.020 -3.269 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.373 5.557 -4.341 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.195 3.189 -4.609 1.00 0.00 C ATOM 483 CZ PHE A 29 0.144 4.460 -5.147 1.00 0.00 C ATOM 0 H PHE A 29 3.302 5.485 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 29 2.672 3.695 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.601 2.970 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.521 4.703 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.834 6.245 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.514 2.024 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.332 6.552 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.015 2.329 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.075 4.595 -6.196 1.00 0.00 H new ATOM 493 N LEU A 30 3.091 1.649 -1.134 1.00 0.00 N ATOM 494 CA LEU A 30 3.590 0.533 -1.923 1.00 0.00 C ATOM 495 C LEU A 30 2.868 -0.747 -1.511 1.00 0.00 C ATOM 496 O LEU A 30 2.533 -0.929 -0.338 1.00 0.00 O ATOM 497 CB LEU A 30 5.117 0.374 -1.775 1.00 0.00 C ATOM 498 CG LEU A 30 5.630 -0.272 -0.478 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.144 -0.382 -0.509 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.201 0.518 0.744 1.00 0.00 C ATOM 0 H LEU A 30 2.631 1.372 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 30 3.388 0.735 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.479 -0.219 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.570 1.361 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 30 5.193 -1.268 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.494 -0.841 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.447 -0.996 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.579 0.612 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.581 0.033 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.601 1.530 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.113 0.560 0.787 1.00 0.00 H new ATOM 512 N VAL A 31 2.605 -1.618 -2.471 1.00 0.00 N ATOM 513 CA VAL A 31 1.904 -2.861 -2.189 1.00 0.00 C ATOM 514 C VAL A 31 2.830 -4.058 -2.371 1.00 0.00 C ATOM 515 O VAL A 31 3.400 -4.274 -3.444 1.00 0.00 O ATOM 516 CB VAL A 31 0.630 -3.017 -3.057 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.914 -2.741 -4.516 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.007 -4.397 -2.882 1.00 0.00 C ATOM 0 H VAL A 31 2.865 -1.489 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 31 1.585 -2.823 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.088 -2.274 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.002 -2.860 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.284 -1.722 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.666 -3.442 -4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.885 -4.475 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.725 -5.161 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.266 -4.543 -1.837 1.00 0.00 H new ATOM 528 N ARG A 32 2.993 -4.818 -1.300 1.00 0.00 N ATOM 529 CA ARG A 32 3.867 -5.976 -1.318 1.00 0.00 C ATOM 530 C ARG A 32 3.059 -7.269 -1.281 1.00 0.00 C ATOM 531 O ARG A 32 2.021 -7.350 -0.619 1.00 0.00 O ATOM 532 CB ARG A 32 4.844 -5.935 -0.139 1.00 0.00 C ATOM 533 CG ARG A 32 4.170 -5.779 1.213 1.00 0.00 C ATOM 534 CD ARG A 32 5.172 -5.894 2.350 1.00 0.00 C ATOM 535 NE ARG A 32 4.553 -5.622 3.647 1.00 0.00 N ATOM 536 CZ ARG A 32 4.403 -6.533 4.608 1.00 0.00 C ATOM 537 NH1 ARG A 32 4.832 -7.775 4.424 1.00 0.00 N ATOM 538 NH2 ARG A 32 3.830 -6.198 5.758 1.00 0.00 N ATOM 0 H ARG A 32 2.530 -4.652 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 32 4.437 -5.950 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.434 -6.852 -0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.540 -5.109 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.671 -4.811 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.399 -6.541 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.603 -6.895 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.992 -5.195 2.184 1.00 0.00 H new ATOM 0 HE ARG A 32 4.215 -4.677 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.278 -8.035 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.715 -8.469 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.504 -5.243 5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.716 -6.896 6.493 1.00 0.00 H new ATOM 552 N GLU A 33 3.546 -8.266 -2.006 1.00 0.00 N ATOM 553 CA GLU A 33 2.950 -9.591 -2.021 1.00 0.00 C ATOM 554 C GLU A 33 3.360 -10.350 -0.768 1.00 0.00 C ATOM 555 O GLU A 33 4.485 -10.851 -0.671 1.00 0.00 O ATOM 556 CB GLU A 33 3.402 -10.355 -3.275 1.00 0.00 C ATOM 557 CG GLU A 33 3.044 -11.839 -3.278 1.00 0.00 C ATOM 558 CD GLU A 33 1.565 -12.105 -3.474 1.00 0.00 C ATOM 559 OE1 GLU A 33 0.815 -12.081 -2.483 1.00 0.00 O ATOM 560 OE2 GLU A 33 1.153 -12.351 -4.632 1.00 0.00 O ATOM 0 H GLU A 33 4.369 -8.177 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 33 1.864 -9.497 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.956 -9.885 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.483 -10.255 -3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.603 -12.337 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.363 -12.283 -2.335 1.00 0.00 H new ATOM 567 N SER A 34 2.468 -10.406 0.202 1.00 0.00 N ATOM 568 CA SER A 34 2.722 -11.168 1.405 1.00 0.00 C ATOM 569 C SER A 34 2.433 -12.635 1.121 1.00 0.00 C ATOM 570 O SER A 34 1.402 -13.169 1.519 1.00 0.00 O ATOM 571 CB SER A 34 1.863 -10.654 2.564 1.00 0.00 C ATOM 572 OG SER A 34 2.288 -11.203 3.801 1.00 0.00 O ATOM 0 H SER A 34 1.564 -9.934 0.179 1.00 0.00 H new ATOM 0 HA SER A 34 3.765 -11.054 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.920 -9.566 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.819 -10.912 2.388 1.00 0.00 H new ATOM 0 HG SER A 34 1.724 -10.857 4.524 1.00 0.00 H new ATOM 578 N GLU A 35 3.362 -13.276 0.422 1.00 0.00 N ATOM 579 CA GLU A 35 3.196 -14.659 -0.012 1.00 0.00 C ATOM 580 C GLU A 35 3.141 -15.627 1.171 1.00 0.00 C ATOM 581 O GLU A 35 2.921 -16.827 0.992 1.00 0.00 O ATOM 582 CB GLU A 35 4.319 -15.045 -0.979 1.00 0.00 C ATOM 583 CG GLU A 35 5.716 -14.834 -0.421 1.00 0.00 C ATOM 584 CD GLU A 35 6.493 -16.124 -0.307 1.00 0.00 C ATOM 585 OE1 GLU A 35 6.982 -16.621 -1.342 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.620 -16.648 0.817 1.00 0.00 O ATOM 0 H GLU A 35 4.248 -12.855 0.141 1.00 0.00 H new ATOM 0 HA GLU A 35 2.240 -14.733 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.203 -16.093 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.213 -14.462 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.260 -14.141 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.645 -14.368 0.562 1.00 0.00 H new ATOM 593 N THR A 36 3.355 -15.103 2.371 1.00 0.00 N ATOM 594 CA THR A 36 3.161 -15.859 3.589 1.00 0.00 C ATOM 595 C THR A 36 1.667 -16.124 3.802 1.00 0.00 C ATOM 596 O THR A 36 1.276 -17.100 4.441 1.00 0.00 O ATOM 597 CB THR A 36 3.727 -15.076 4.785 1.00 0.00 C ATOM 598 OG1 THR A 36 4.887 -14.339 4.372 1.00 0.00 O ATOM 599 CG2 THR A 36 4.108 -16.016 5.912 1.00 0.00 C ATOM 0 H THR A 36 3.667 -14.144 2.521 1.00 0.00 H new ATOM 0 HA THR A 36 3.685 -16.811 3.506 1.00 0.00 H new ATOM 0 HB THR A 36 2.958 -14.391 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.246 -13.839 5.135 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.506 -15.440 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.227 -16.568 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.865 -16.717 5.561 1.00 0.00 H new ATOM 607 N THR A 37 0.841 -15.240 3.255 1.00 0.00 N ATOM 608 CA THR A 37 -0.604 -15.390 3.301 1.00 0.00 C ATOM 609 C THR A 37 -1.199 -14.989 1.954 1.00 0.00 C ATOM 610 O THR A 37 -1.489 -13.816 1.713 1.00 0.00 O ATOM 611 CB THR A 37 -1.224 -14.531 4.421 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.589 -14.835 5.673 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.723 -14.783 4.535 1.00 0.00 C ATOM 0 H THR A 37 1.156 -14.401 2.768 1.00 0.00 H new ATOM 0 HA THR A 37 -0.833 -16.434 3.513 1.00 0.00 H new ATOM 0 HB THR A 37 -1.068 -13.481 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.984 -14.286 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.136 -14.165 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.207 -14.530 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.899 -15.834 4.763 1.00 0.00 H new ATOM 621 N LYS A 38 -1.360 -15.973 1.081 1.00 0.00 N ATOM 622 CA LYS A 38 -1.777 -15.732 -0.294 1.00 0.00 C ATOM 623 C LYS A 38 -3.145 -15.070 -0.367 1.00 0.00 C ATOM 624 O LYS A 38 -4.144 -15.609 0.118 1.00 0.00 O ATOM 625 CB LYS A 38 -1.800 -17.044 -1.074 1.00 0.00 C ATOM 626 CG LYS A 38 -0.447 -17.730 -1.160 1.00 0.00 C ATOM 627 CD LYS A 38 0.557 -16.894 -1.931 1.00 0.00 C ATOM 628 CE LYS A 38 1.862 -17.642 -2.132 1.00 0.00 C ATOM 629 NZ LYS A 38 1.662 -18.917 -2.866 1.00 0.00 N ATOM 0 H LYS A 38 -1.206 -16.956 1.304 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.052 -15.051 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.512 -17.723 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.163 -16.850 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.069 -17.917 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.561 -18.700 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.139 -16.622 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.747 -15.965 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.561 -17.012 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.315 -17.849 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.569 -19.235 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.297 -19.640 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.980 -18.770 -3.637 1.00 0.00 H new ATOM 643 N GLY A 39 -3.177 -13.898 -0.978 1.00 0.00 N ATOM 644 CA GLY A 39 -4.421 -13.183 -1.138 1.00 0.00 C ATOM 645 C GLY A 39 -4.507 -11.978 -0.232 1.00 0.00 C ATOM 646 O GLY A 39 -5.453 -11.200 -0.318 1.00 0.00 O ATOM 0 H GLY A 39 -2.360 -13.428 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.524 -12.864 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.254 -13.854 -0.927 1.00 0.00 H new ATOM 650 N ALA A 40 -3.526 -11.826 0.644 1.00 0.00 N ATOM 651 CA ALA A 40 -3.478 -10.680 1.534 1.00 0.00 C ATOM 652 C ALA A 40 -2.277 -9.809 1.217 1.00 0.00 C ATOM 653 O ALA A 40 -1.164 -10.062 1.677 1.00 0.00 O ATOM 654 CB ALA A 40 -3.441 -11.121 2.987 1.00 0.00 C ATOM 0 H ALA A 40 -2.753 -12.482 0.757 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.384 -10.095 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.405 -10.244 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.335 -11.702 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.556 -11.734 3.159 1.00 0.00 H new ATOM 660 N TYR A 41 -2.510 -8.788 0.418 1.00 0.00 N ATOM 661 CA TYR A 41 -1.463 -7.855 0.053 1.00 0.00 C ATOM 662 C TYR A 41 -1.369 -6.752 1.091 1.00 0.00 C ATOM 663 O TYR A 41 -2.360 -6.396 1.723 1.00 0.00 O ATOM 664 CB TYR A 41 -1.729 -7.271 -1.334 1.00 0.00 C ATOM 665 CG TYR A 41 -1.552 -8.278 -2.442 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.576 -9.151 -2.789 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.353 -8.362 -3.132 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.405 -10.081 -3.793 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.175 -9.291 -4.133 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.203 -10.147 -4.461 1.00 0.00 C ATOM 671 OH TYR A 41 -1.017 -11.081 -5.450 1.00 0.00 O ATOM 0 H TYR A 41 -3.420 -8.582 0.007 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.511 -8.385 0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.745 -6.877 -1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.056 -6.431 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.519 -9.101 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.454 -7.689 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.209 -10.753 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.767 -9.348 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.103 -11.430 -5.402 1.00 0.00 H new ATOM 681 N CYS A 42 -0.179 -6.228 1.287 1.00 0.00 N ATOM 682 CA CYS A 42 0.016 -5.186 2.271 1.00 0.00 C ATOM 683 C CYS A 42 0.292 -3.854 1.594 1.00 0.00 C ATOM 684 O CYS A 42 1.373 -3.635 1.043 1.00 0.00 O ATOM 685 CB CYS A 42 1.163 -5.557 3.211 1.00 0.00 C ATOM 686 SG CYS A 42 0.954 -7.162 4.018 1.00 0.00 S ATOM 0 H CYS A 42 0.663 -6.504 0.782 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.898 -5.087 2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.096 -5.563 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.258 -4.786 3.975 1.00 0.00 H new ATOM 0 HG CYS A 42 1.537 -7.143 5.180 1.00 0.00 H new ATOM 692 N LEU A 43 -0.702 -2.980 1.619 1.00 0.00 N ATOM 693 CA LEU A 43 -0.542 -1.631 1.113 1.00 0.00 C ATOM 694 C LEU A 43 0.007 -0.767 2.238 1.00 0.00 C ATOM 695 O LEU A 43 -0.746 -0.216 3.041 1.00 0.00 O ATOM 696 CB LEU A 43 -1.886 -1.082 0.603 1.00 0.00 C ATOM 697 CG LEU A 43 -1.834 0.136 -0.343 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.266 1.368 0.347 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.033 -0.172 -1.603 1.00 0.00 C ATOM 0 H LEU A 43 -1.631 -3.185 1.987 1.00 0.00 H new ATOM 0 HA LEU A 43 0.150 -1.625 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.407 -1.889 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.492 -0.813 1.468 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.863 0.353 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.247 2.202 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.891 1.627 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.252 1.159 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.016 0.707 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.013 -0.441 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.497 -1.003 -2.135 1.00 0.00 H new ATOM 711 N SER A 44 1.319 -0.691 2.317 1.00 0.00 N ATOM 712 CA SER A 44 1.967 0.101 3.339 1.00 0.00 C ATOM 713 C SER A 44 2.000 1.561 2.905 1.00 0.00 C ATOM 714 O SER A 44 2.396 1.874 1.780 1.00 0.00 O ATOM 715 CB SER A 44 3.376 -0.439 3.603 1.00 0.00 C ATOM 716 OG SER A 44 4.053 0.323 4.572 1.00 0.00 O ATOM 0 H SER A 44 1.959 -1.170 1.683 1.00 0.00 H new ATOM 0 HA SER A 44 1.406 0.035 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.312 -1.475 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.947 -0.436 2.674 1.00 0.00 H new ATOM 0 HG SER A 44 4.947 -0.051 4.716 1.00 0.00 H new ATOM 722 N VAL A 45 1.562 2.446 3.784 1.00 0.00 N ATOM 723 CA VAL A 45 1.476 3.860 3.459 1.00 0.00 C ATOM 724 C VAL A 45 2.203 4.701 4.510 1.00 0.00 C ATOM 725 O VAL A 45 2.194 4.375 5.701 1.00 0.00 O ATOM 726 CB VAL A 45 0.002 4.316 3.338 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.727 4.176 4.664 1.00 0.00 C ATOM 728 CG2 VAL A 45 -0.088 5.741 2.815 1.00 0.00 C ATOM 0 H VAL A 45 1.260 2.210 4.729 1.00 0.00 H new ATOM 0 HA VAL A 45 1.961 4.009 2.494 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.489 3.662 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.760 4.504 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.711 3.133 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.234 4.791 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.135 6.036 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.430 6.413 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.376 5.797 1.830 1.00 0.00 H new ATOM 738 N SER A 46 2.850 5.763 4.051 1.00 0.00 N ATOM 739 CA SER A 46 3.574 6.666 4.929 1.00 0.00 C ATOM 740 C SER A 46 2.638 7.697 5.549 1.00 0.00 C ATOM 741 O SER A 46 2.069 8.541 4.848 1.00 0.00 O ATOM 742 CB SER A 46 4.672 7.384 4.147 1.00 0.00 C ATOM 743 OG SER A 46 5.502 6.463 3.463 1.00 0.00 O ATOM 0 H SER A 46 2.887 6.020 3.065 1.00 0.00 H new ATOM 0 HA SER A 46 4.018 6.074 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.222 8.072 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.275 7.983 4.829 1.00 0.00 H new ATOM 0 HG SER A 46 4.978 5.996 2.779 1.00 0.00 H new ATOM 749 N ASP A 47 2.472 7.613 6.858 1.00 0.00 N ATOM 750 CA ASP A 47 1.717 8.604 7.612 1.00 0.00 C ATOM 751 C ASP A 47 2.677 9.647 8.149 1.00 0.00 C ATOM 752 O ASP A 47 3.795 9.320 8.543 1.00 0.00 O ATOM 753 CB ASP A 47 0.955 7.941 8.767 1.00 0.00 C ATOM 754 CG ASP A 47 0.184 8.928 9.629 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.802 9.611 10.472 1.00 0.00 O ATOM 756 OD2 ASP A 47 -1.053 9.009 9.478 1.00 0.00 O ATOM 0 H ASP A 47 2.855 6.859 7.428 1.00 0.00 H new ATOM 0 HA ASP A 47 0.987 9.077 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.260 7.206 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.662 7.398 9.394 1.00 0.00 H new ATOM 761 N PHE A 48 2.254 10.893 8.163 1.00 0.00 N ATOM 762 CA PHE A 48 3.118 11.968 8.612 1.00 0.00 C ATOM 763 C PHE A 48 2.437 12.780 9.699 1.00 0.00 C ATOM 764 O PHE A 48 1.383 13.381 9.476 1.00 0.00 O ATOM 765 CB PHE A 48 3.508 12.871 7.444 1.00 0.00 C ATOM 766 CG PHE A 48 4.575 13.869 7.785 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.892 13.465 7.950 1.00 0.00 C ATOM 768 CD2 PHE A 48 4.268 15.211 7.940 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.878 14.380 8.267 1.00 0.00 C ATOM 770 CE2 PHE A 48 5.251 16.130 8.256 1.00 0.00 C ATOM 771 CZ PHE A 48 6.558 15.714 8.420 1.00 0.00 C ATOM 0 H PHE A 48 1.322 11.188 7.871 1.00 0.00 H new ATOM 0 HA PHE A 48 4.025 11.525 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.853 12.251 6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.623 13.403 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.150 12.423 7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.248 15.543 7.812 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.899 14.051 8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.997 17.173 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.327 16.431 8.667 1.00 0.00 H new ATOM 781 N ASP A 49 3.044 12.779 10.867 1.00 0.00 N ATOM 782 CA ASP A 49 2.533 13.516 12.011 1.00 0.00 C ATOM 783 C ASP A 49 3.635 14.370 12.608 1.00 0.00 C ATOM 784 O ASP A 49 4.793 13.962 12.644 1.00 0.00 O ATOM 785 CB ASP A 49 1.968 12.545 13.048 1.00 0.00 C ATOM 786 CG ASP A 49 1.789 13.168 14.415 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.790 13.896 14.621 1.00 0.00 O ATOM 788 OD2 ASP A 49 2.638 12.918 15.297 1.00 0.00 O ATOM 0 H ASP A 49 3.907 12.268 11.054 1.00 0.00 H new ATOM 0 HA ASP A 49 1.727 14.175 11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.006 12.170 12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.634 11.686 13.132 1.00 0.00 H new ATOM 793 N ASN A 50 3.270 15.545 13.084 1.00 0.00 N ATOM 794 CA ASN A 50 4.255 16.519 13.553 1.00 0.00 C ATOM 795 C ASN A 50 4.573 16.340 15.030 1.00 0.00 C ATOM 796 O ASN A 50 4.859 17.306 15.737 1.00 0.00 O ATOM 797 CB ASN A 50 3.776 17.947 13.294 1.00 0.00 C ATOM 798 CG ASN A 50 3.974 18.380 11.854 1.00 0.00 C ATOM 799 OD1 ASN A 50 3.891 17.574 10.929 1.00 0.00 O ATOM 800 ND2 ASN A 50 4.252 19.658 11.656 1.00 0.00 N ATOM 0 H ASN A 50 2.301 15.854 13.159 1.00 0.00 H new ATOM 0 HA ASN A 50 5.170 16.342 12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.719 18.023 13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.313 18.631 13.952 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.406 20.006 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.312 20.296 12.450 1.00 0.00 H new ATOM 807 N ALA A 51 4.508 15.106 15.497 1.00 0.00 N ATOM 808 CA ALA A 51 4.887 14.785 16.862 1.00 0.00 C ATOM 809 C ALA A 51 5.705 13.504 16.895 1.00 0.00 C ATOM 810 O ALA A 51 6.780 13.458 17.494 1.00 0.00 O ATOM 811 CB ALA A 51 3.654 14.659 17.748 1.00 0.00 C ATOM 0 H ALA A 51 4.195 14.306 14.948 1.00 0.00 H new ATOM 0 HA ALA A 51 5.501 15.598 17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.960 14.418 18.766 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.107 15.602 17.747 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.011 13.866 17.366 1.00 0.00 H new ATOM 817 N LYS A 52 5.197 12.469 16.237 1.00 0.00 N ATOM 818 CA LYS A 52 5.874 11.177 16.204 1.00 0.00 C ATOM 819 C LYS A 52 6.658 10.999 14.907 1.00 0.00 C ATOM 820 O LYS A 52 7.420 10.040 14.755 1.00 0.00 O ATOM 821 CB LYS A 52 4.854 10.047 16.363 1.00 0.00 C ATOM 822 CG LYS A 52 3.989 10.187 17.606 1.00 0.00 C ATOM 823 CD LYS A 52 3.017 9.030 17.753 1.00 0.00 C ATOM 824 CE LYS A 52 2.072 9.242 18.927 1.00 0.00 C ATOM 825 NZ LYS A 52 2.798 9.363 20.216 1.00 0.00 N ATOM 0 H LYS A 52 4.319 12.498 15.719 1.00 0.00 H new ATOM 0 HA LYS A 52 6.581 11.142 17.033 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.211 10.021 15.483 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.381 9.094 16.401 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.627 10.239 18.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.434 11.124 17.558 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.440 8.919 16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.572 8.103 17.894 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.482 10.143 18.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.372 8.408 18.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.115 9.370 21.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.445 8.556 20.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.344 10.248 20.225 1.00 0.00 H new ATOM 839 N GLY A 53 6.471 11.924 13.973 1.00 0.00 N ATOM 840 CA GLY A 53 7.180 11.856 12.712 1.00 0.00 C ATOM 841 C GLY A 53 6.458 10.997 11.694 1.00 0.00 C ATOM 842 O GLY A 53 5.242 11.112 11.524 1.00 0.00 O ATOM 0 H GLY A 53 5.840 12.720 14.068 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.304 12.863 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.179 11.454 12.880 1.00 0.00 H new ATOM 846 N LEU A 54 7.203 10.141 11.014 1.00 0.00 N ATOM 847 CA LEU A 54 6.632 9.267 10.002 1.00 0.00 C ATOM 848 C LEU A 54 6.146 7.968 10.629 1.00 0.00 C ATOM 849 O LEU A 54 6.868 7.328 11.390 1.00 0.00 O ATOM 850 CB LEU A 54 7.655 8.954 8.904 1.00 0.00 C ATOM 851 CG LEU A 54 8.202 10.162 8.134 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.324 10.841 8.908 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.677 9.738 6.752 1.00 0.00 C ATOM 0 H LEU A 54 8.209 10.032 11.145 1.00 0.00 H new ATOM 0 HA LEU A 54 5.786 9.788 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.494 8.426 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.195 8.270 8.190 1.00 0.00 H new ATOM 0 HG LEU A 54 7.395 10.885 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.694 11.694 8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.946 11.183 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.136 10.132 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.062 10.606 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.466 8.993 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.843 9.311 6.196 1.00 0.00 H new ATOM 865 N ASN A 55 4.921 7.589 10.305 1.00 0.00 N ATOM 866 CA ASN A 55 4.335 6.349 10.804 1.00 0.00 C ATOM 867 C ASN A 55 3.980 5.452 9.627 1.00 0.00 C ATOM 868 O ASN A 55 3.346 5.898 8.676 1.00 0.00 O ATOM 869 CB ASN A 55 3.073 6.629 11.634 1.00 0.00 C ATOM 870 CG ASN A 55 3.299 7.634 12.749 1.00 0.00 C ATOM 871 OD1 ASN A 55 3.752 7.283 13.839 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.940 8.883 12.499 1.00 0.00 N ATOM 0 H ASN A 55 4.306 8.125 9.693 1.00 0.00 H new ATOM 0 HA ASN A 55 5.064 5.855 11.446 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.287 6.999 10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.714 5.694 12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.034 9.595 13.223 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.569 9.133 11.582 1.00 0.00 H new ATOM 879 N VAL A 56 4.384 4.194 9.674 1.00 0.00 N ATOM 880 CA VAL A 56 4.121 3.292 8.566 1.00 0.00 C ATOM 881 C VAL A 56 2.957 2.364 8.882 1.00 0.00 C ATOM 882 O VAL A 56 3.018 1.553 9.808 1.00 0.00 O ATOM 883 CB VAL A 56 5.366 2.466 8.183 1.00 0.00 C ATOM 884 CG1 VAL A 56 5.045 1.518 7.039 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.508 3.392 7.802 1.00 0.00 C ATOM 0 H VAL A 56 4.889 3.778 10.457 1.00 0.00 H new ATOM 0 HA VAL A 56 3.856 3.913 7.710 1.00 0.00 H new ATOM 0 HB VAL A 56 5.670 1.871 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.935 0.943 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.249 0.838 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.721 2.092 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.383 2.800 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.210 4.006 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.752 4.036 8.647 1.00 0.00 H new ATOM 895 N LYS A 57 1.892 2.499 8.105 1.00 0.00 N ATOM 896 CA LYS A 57 0.690 1.709 8.302 1.00 0.00 C ATOM 897 C LYS A 57 0.530 0.699 7.174 1.00 0.00 C ATOM 898 O LYS A 57 0.388 1.075 6.010 1.00 0.00 O ATOM 899 CB LYS A 57 -0.533 2.627 8.365 1.00 0.00 C ATOM 900 CG LYS A 57 -0.459 3.662 9.478 1.00 0.00 C ATOM 901 CD LYS A 57 -1.593 4.668 9.382 1.00 0.00 C ATOM 902 CE LYS A 57 -1.542 5.666 10.529 1.00 0.00 C ATOM 903 NZ LYS A 57 -2.615 6.689 10.424 1.00 0.00 N ATOM 0 H LYS A 57 1.839 3.155 7.326 1.00 0.00 H new ATOM 0 HA LYS A 57 0.776 1.167 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.642 3.140 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.427 2.019 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.497 3.161 10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.497 4.184 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.532 5.199 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.549 4.145 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.638 5.135 11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.570 6.159 10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.050 6.833 11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.208 7.586 10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.339 6.365 9.751 1.00 0.00 H new ATOM 917 N HIS A 58 0.570 -0.579 7.521 1.00 0.00 N ATOM 918 CA HIS A 58 0.399 -1.644 6.537 1.00 0.00 C ATOM 919 C HIS A 58 -1.080 -1.989 6.398 1.00 0.00 C ATOM 920 O HIS A 58 -1.637 -2.710 7.228 1.00 0.00 O ATOM 921 CB HIS A 58 1.187 -2.899 6.941 1.00 0.00 C ATOM 922 CG HIS A 58 2.670 -2.698 7.065 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.554 -3.239 6.157 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.369 -2.035 8.019 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.759 -2.889 6.581 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.694 -2.162 7.702 1.00 0.00 N ATOM 0 H HIS A 58 0.719 -0.906 8.476 1.00 0.00 H new ATOM 0 HA HIS A 58 0.783 -1.289 5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.803 -3.261 7.894 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.001 -3.681 6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.958 -1.507 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.679 -3.157 6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.482 -1.776 8.222 1.00 0.00 H new ATOM 934 N TYR A 59 -1.719 -1.465 5.360 1.00 0.00 N ATOM 935 CA TYR A 59 -3.134 -1.723 5.137 1.00 0.00 C ATOM 936 C TYR A 59 -3.357 -3.089 4.499 1.00 0.00 C ATOM 937 O TYR A 59 -2.481 -3.627 3.819 1.00 0.00 O ATOM 938 CB TYR A 59 -3.765 -0.621 4.287 1.00 0.00 C ATOM 939 CG TYR A 59 -4.167 0.595 5.094 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.420 0.666 5.689 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.299 1.667 5.267 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.799 1.767 6.432 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.671 2.773 6.012 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.922 2.819 6.589 1.00 0.00 C ATOM 945 OH TYR A 59 -5.300 3.918 7.330 1.00 0.00 O ATOM 0 H TYR A 59 -1.282 -0.862 4.663 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.623 -1.726 6.111 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.060 -0.319 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.644 -1.020 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.111 -0.155 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.319 1.637 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.777 1.804 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.984 3.596 6.141 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.568 4.570 7.345 1.00 0.00 H new ATOM 955 N LYS A 60 -4.546 -3.632 4.716 1.00 0.00 N ATOM 956 CA LYS A 60 -4.849 -5.012 4.365 1.00 0.00 C ATOM 957 C LYS A 60 -5.575 -5.093 3.031 1.00 0.00 C ATOM 958 O LYS A 60 -6.746 -4.737 2.944 1.00 0.00 O ATOM 959 CB LYS A 60 -5.739 -5.630 5.446 1.00 0.00 C ATOM 960 CG LYS A 60 -5.314 -5.287 6.866 1.00 0.00 C ATOM 961 CD LYS A 60 -6.513 -4.884 7.717 1.00 0.00 C ATOM 962 CE LYS A 60 -7.176 -3.619 7.183 1.00 0.00 C ATOM 963 NZ LYS A 60 -8.375 -3.234 7.977 1.00 0.00 N ATOM 0 H LYS A 60 -5.326 -3.130 5.139 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.907 -5.555 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.765 -5.295 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.737 -6.714 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.816 -6.145 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.589 -4.473 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.239 -5.697 7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.192 -4.722 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.456 -2.801 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.465 -3.774 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.793 -2.369 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.074 -4.003 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.097 -3.060 8.964 1.00 0.00 H new ATOM 977 N ILE A 61 -4.890 -5.566 2.002 1.00 0.00 N ATOM 978 CA ILE A 61 -5.528 -5.819 0.717 1.00 0.00 C ATOM 979 C ILE A 61 -5.843 -7.301 0.617 1.00 0.00 C ATOM 980 O ILE A 61 -5.145 -8.058 -0.060 1.00 0.00 O ATOM 981 CB ILE A 61 -4.642 -5.406 -0.482 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.141 -3.974 -0.317 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.415 -5.545 -1.790 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.268 -3.508 -1.462 1.00 0.00 C ATOM 0 H ILE A 61 -3.894 -5.783 2.030 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.434 -5.215 0.671 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.780 -6.072 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.997 -3.305 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.578 -3.899 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.777 -5.250 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.726 -6.581 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.295 -4.903 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.947 -2.482 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.393 -4.154 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.834 -3.552 -2.392 1.00 0.00 H new ATOM 996 N ARG A 62 -6.878 -7.722 1.319 1.00 0.00 N ATOM 997 CA ARG A 62 -7.202 -9.133 1.400 1.00 0.00 C ATOM 998 C ARG A 62 -8.303 -9.483 0.412 1.00 0.00 C ATOM 999 O ARG A 62 -9.297 -8.770 0.295 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.626 -9.510 2.822 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.701 -11.013 3.046 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.108 -11.354 4.470 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.468 -10.909 4.774 1.00 0.00 N ATOM 1004 CZ ARG A 62 -10.461 -11.730 5.114 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.244 -13.039 5.213 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -11.668 -11.241 5.367 1.00 0.00 N ATOM 0 H ARG A 62 -7.506 -7.110 1.839 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.309 -9.703 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.920 -9.078 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.600 -9.069 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.417 -11.449 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.732 -11.461 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.038 -12.432 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.411 -10.890 5.167 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.668 -9.910 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.315 -13.417 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.007 -13.664 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.836 -10.237 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.428 -11.869 5.627 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.099 -10.568 -0.313 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.072 -11.063 -1.260 1.00 0.00 C ATOM 1022 C LYS A 63 -10.269 -11.671 -0.541 1.00 0.00 C ATOM 1023 O LYS A 63 -10.115 -12.360 0.469 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.434 -12.141 -2.128 1.00 0.00 C ATOM 1025 CG LYS A 63 -9.136 -12.340 -3.453 1.00 0.00 C ATOM 1026 CD LYS A 63 -8.700 -13.626 -4.139 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.188 -13.714 -4.266 1.00 0.00 C ATOM 1028 NZ LYS A 63 -6.765 -14.888 -5.071 1.00 0.00 N ATOM 0 H LYS A 63 -7.250 -11.130 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.407 -10.225 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.392 -11.878 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.433 -13.084 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.214 -12.361 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.927 -11.492 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.068 -14.482 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.152 -13.681 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.809 -12.802 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.744 -13.776 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.727 -14.911 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.104 -15.760 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.167 -14.816 -6.027 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.457 -11.405 -1.066 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.654 -12.095 -0.631 1.00 0.00 C ATOM 1044 C LEU A 64 -12.575 -13.548 -1.064 1.00 0.00 C ATOM 1045 O LEU A 64 -11.976 -13.837 -2.105 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.899 -11.444 -1.240 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.352 -10.133 -0.599 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.453 -9.491 -1.428 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.835 -10.375 0.824 1.00 0.00 C ATOM 0 H LEU A 64 -11.613 -10.712 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.726 -12.034 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.708 -11.261 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.722 -12.157 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.501 -9.453 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.765 -8.558 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.080 -9.285 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.304 -10.169 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.154 -9.431 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.674 -11.071 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.024 -10.797 1.417 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.157 -14.446 -0.276 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.071 -15.887 -0.534 1.00 0.00 C ATOM 1063 C ASP A 65 -13.326 -16.205 -2.005 1.00 0.00 C ATOM 1064 O ASP A 65 -12.571 -16.950 -2.637 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.071 -16.646 0.343 1.00 0.00 C ATOM 1066 CG ASP A 65 -13.753 -16.539 1.821 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.212 -15.570 2.467 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -13.059 -17.427 2.350 1.00 0.00 O ATOM 0 H ASP A 65 -13.698 -14.203 0.554 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.059 -16.208 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -15.074 -16.258 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.078 -17.697 0.052 1.00 0.00 H new ATOM 1073 N SER A 66 -14.381 -15.620 -2.547 1.00 0.00 N ATOM 1074 CA SER A 66 -14.708 -15.777 -3.953 1.00 0.00 C ATOM 1075 C SER A 66 -15.187 -14.448 -4.528 1.00 0.00 C ATOM 1076 O SER A 66 -16.223 -14.374 -5.188 1.00 0.00 O ATOM 1077 CB SER A 66 -15.775 -16.854 -4.126 1.00 0.00 C ATOM 1078 OG SER A 66 -15.357 -18.080 -3.543 1.00 0.00 O ATOM 0 H SER A 66 -15.030 -15.028 -2.029 1.00 0.00 H new ATOM 0 HA SER A 66 -13.815 -16.087 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.706 -16.526 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.979 -17.002 -5.186 1.00 0.00 H new ATOM 0 HG SER A 66 -16.057 -18.755 -3.664 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.428 -13.394 -4.256 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.778 -12.084 -4.759 1.00 0.00 C ATOM 1086 C GLY A 67 -13.589 -11.360 -5.358 1.00 0.00 C ATOM 1087 O GLY A 67 -13.111 -11.720 -6.435 1.00 0.00 O ATOM 0 H GLY A 67 -13.576 -13.425 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.558 -12.184 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.194 -11.486 -3.949 1.00 0.00 H new ATOM 1091 N GLY A 68 -13.103 -10.353 -4.652 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.992 -9.563 -5.144 1.00 0.00 C ATOM 1093 C GLY A 68 -11.167 -8.987 -4.012 1.00 0.00 C ATOM 1094 O GLY A 68 -11.376 -9.340 -2.853 1.00 0.00 O ATOM 0 H GLY A 68 -13.460 -10.066 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.357 -10.183 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.370 -8.753 -5.767 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.244 -8.096 -4.342 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.361 -7.499 -3.351 1.00 0.00 C ATOM 1100 C PHE A 69 -9.964 -6.214 -2.797 1.00 0.00 C ATOM 1101 O PHE A 69 -10.573 -5.432 -3.532 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.991 -7.186 -3.965 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.268 -8.386 -4.504 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.538 -9.209 -3.663 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.312 -8.686 -5.856 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.868 -10.310 -4.161 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.644 -9.784 -6.359 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.922 -10.598 -5.509 1.00 0.00 C ATOM 0 H PHE A 69 -10.087 -7.769 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.238 -8.218 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.123 -6.464 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.367 -6.710 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.492 -8.988 -2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.876 -8.053 -6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.302 -10.945 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.686 -10.006 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.400 -11.459 -5.899 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.792 -6.004 -1.503 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.252 -4.787 -0.855 1.00 0.00 C ATOM 1120 C TYR A 70 -9.280 -4.396 0.248 1.00 0.00 C ATOM 1121 O TYR A 70 -8.704 -5.258 0.913 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.663 -4.978 -0.273 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.762 -6.069 0.776 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.535 -5.795 2.122 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.077 -7.371 0.420 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.619 -6.789 3.076 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.160 -8.369 1.369 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.931 -8.076 2.694 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.008 -9.076 3.637 1.00 0.00 O ATOM 0 H TYR A 70 -9.334 -6.666 -0.876 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.295 -3.991 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.993 -4.037 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.351 -5.209 -1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.289 -4.788 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.261 -7.608 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.441 -6.559 4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.404 -9.378 1.073 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.239 -9.922 3.199 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.078 -3.099 0.414 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.292 -2.592 1.528 1.00 0.00 C ATOM 1141 C ILE A 71 -9.223 -2.314 2.705 1.00 0.00 C ATOM 1142 O ILE A 71 -8.815 -2.285 3.869 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.532 -1.302 1.148 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.640 -1.550 -0.072 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.704 -0.806 2.324 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.848 -0.334 -0.508 1.00 0.00 C ATOM 0 H ILE A 71 -9.447 -2.379 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.551 -3.344 1.799 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.260 -0.532 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.948 -2.361 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.261 -1.884 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.175 0.103 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.361 -0.594 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.982 -1.571 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.241 -0.588 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.533 0.473 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.199 -0.011 0.306 1.00 0.00 H new ATOM 1158 N THR A 72 -10.490 -2.138 2.373 1.00 0.00 N ATOM 1159 CA THR A 72 -11.522 -1.855 3.348 1.00 0.00 C ATOM 1160 C THR A 72 -12.844 -2.438 2.860 1.00 0.00 C ATOM 1161 O THR A 72 -13.053 -2.587 1.653 1.00 0.00 O ATOM 1162 CB THR A 72 -11.661 -0.334 3.575 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.768 -0.052 4.440 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.846 0.397 2.253 1.00 0.00 C ATOM 0 H THR A 72 -10.831 -2.188 1.413 1.00 0.00 H new ATOM 0 HA THR A 72 -11.248 -2.312 4.299 1.00 0.00 H new ATOM 0 HB THR A 72 -10.743 0.018 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.840 0.916 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.942 1.467 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.982 0.216 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.747 0.033 1.759 1.00 0.00 H new ATOM 1172 N SER A 73 -13.729 -2.759 3.788 1.00 0.00 N ATOM 1173 CA SER A 73 -14.979 -3.437 3.467 1.00 0.00 C ATOM 1174 C SER A 73 -16.021 -2.470 2.894 1.00 0.00 C ATOM 1175 O SER A 73 -17.183 -2.478 3.303 1.00 0.00 O ATOM 1176 CB SER A 73 -15.517 -4.116 4.726 1.00 0.00 C ATOM 1177 OG SER A 73 -14.533 -4.960 5.305 1.00 0.00 O ATOM 0 H SER A 73 -13.605 -2.560 4.781 1.00 0.00 H new ATOM 0 HA SER A 73 -14.779 -4.184 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.825 -3.360 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.403 -4.700 4.479 1.00 0.00 H new ATOM 0 HG SER A 73 -14.898 -5.383 6.110 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.603 -1.643 1.945 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.506 -0.700 1.294 1.00 0.00 C ATOM 1185 C ARG A 74 -16.344 -0.798 -0.217 1.00 0.00 C ATOM 1186 O ARG A 74 -17.248 -1.230 -0.929 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.233 0.741 1.744 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.016 0.900 3.240 1.00 0.00 C ATOM 1189 CD ARG A 74 -15.985 2.365 3.641 1.00 0.00 C ATOM 1190 NE ARG A 74 -17.330 2.910 3.821 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.865 3.865 3.058 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -17.201 4.341 2.010 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -19.078 4.333 3.337 1.00 0.00 N ATOM 0 H ARG A 74 -14.641 -1.605 1.607 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.526 -0.958 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.352 1.112 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.072 1.368 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.812 0.389 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.079 0.423 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.421 2.476 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.460 2.939 2.878 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.897 2.535 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -16.276 3.976 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.617 5.071 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.597 3.962 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.489 5.063 2.755 1.00 0.00 H new ATOM 1207 N THR A 75 -15.177 -0.393 -0.695 1.00 0.00 N ATOM 1208 CA THR A 75 -14.851 -0.484 -2.108 1.00 0.00 C ATOM 1209 C THR A 75 -13.897 -1.656 -2.338 1.00 0.00 C ATOM 1210 O THR A 75 -13.114 -1.995 -1.452 1.00 0.00 O ATOM 1211 CB THR A 75 -14.217 0.834 -2.599 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.078 1.929 -2.255 1.00 0.00 O ATOM 1213 CG2 THR A 75 -13.996 0.823 -4.104 1.00 0.00 C ATOM 0 H THR A 75 -14.435 0.005 -0.119 1.00 0.00 H new ATOM 0 HA THR A 75 -15.766 -0.653 -2.676 1.00 0.00 H new ATOM 0 HB THR A 75 -13.246 0.944 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.561 2.617 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.548 1.768 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.329 0.002 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.952 0.692 -4.611 1.00 0.00 H new ATOM 1221 N GLN A 76 -13.979 -2.282 -3.506 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.195 -3.479 -3.788 1.00 0.00 C ATOM 1223 C GLN A 76 -13.070 -3.707 -5.293 1.00 0.00 C ATOM 1224 O GLN A 76 -13.971 -3.358 -6.057 1.00 0.00 O ATOM 1225 CB GLN A 76 -13.849 -4.686 -3.112 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.325 -4.840 -3.444 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.057 -5.723 -2.458 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.015 -6.405 -2.812 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.627 -5.702 -1.206 1.00 0.00 N ATOM 0 H GLN A 76 -14.580 -1.981 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.189 -3.345 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.321 -5.591 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.735 -4.594 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.794 -3.856 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.426 -5.259 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.827 -5.122 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.095 -6.266 -0.496 1.00 0.00 H new ATOM 1238 N PHE A 77 -11.953 -4.290 -5.712 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.677 -4.508 -7.127 1.00 0.00 C ATOM 1240 C PHE A 77 -11.090 -5.892 -7.362 1.00 0.00 C ATOM 1241 O PHE A 77 -10.406 -6.446 -6.503 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.716 -3.442 -7.655 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.318 -2.069 -7.695 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.163 -1.702 -8.730 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.053 -1.151 -6.692 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.730 -0.444 -8.766 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.619 0.105 -6.722 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.458 0.459 -7.760 1.00 0.00 C ATOM 0 H PHE A 77 -11.219 -4.622 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.622 -4.436 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.825 -3.423 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.393 -3.719 -8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.380 -2.408 -9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.396 -1.422 -5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.385 -0.168 -9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.406 0.812 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.901 1.444 -7.784 1.00 0.00 H new ATOM 1258 N SER A 78 -11.362 -6.440 -8.537 1.00 0.00 N ATOM 1259 CA SER A 78 -10.931 -7.788 -8.880 1.00 0.00 C ATOM 1260 C SER A 78 -9.480 -7.789 -9.368 1.00 0.00 C ATOM 1261 O SER A 78 -8.839 -8.839 -9.433 1.00 0.00 O ATOM 1262 CB SER A 78 -11.857 -8.367 -9.958 1.00 0.00 C ATOM 1263 OG SER A 78 -11.680 -9.768 -10.113 1.00 0.00 O ATOM 0 H SER A 78 -11.884 -5.967 -9.275 1.00 0.00 H new ATOM 0 HA SER A 78 -10.986 -8.411 -7.987 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.894 -8.159 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.663 -7.869 -10.908 1.00 0.00 H new ATOM 0 HG SER A 78 -12.288 -10.100 -10.807 1.00 0.00 H new ATOM 1269 N SER A 79 -8.963 -6.609 -9.699 1.00 0.00 N ATOM 1270 CA SER A 79 -7.602 -6.486 -10.199 1.00 0.00 C ATOM 1271 C SER A 79 -6.830 -5.435 -9.409 1.00 0.00 C ATOM 1272 O SER A 79 -7.373 -4.390 -9.039 1.00 0.00 O ATOM 1273 CB SER A 79 -7.624 -6.130 -11.683 1.00 0.00 C ATOM 1274 OG SER A 79 -8.267 -7.148 -12.431 1.00 0.00 O ATOM 0 H SER A 79 -9.468 -5.726 -9.629 1.00 0.00 H new ATOM 0 HA SER A 79 -7.096 -7.443 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.143 -5.182 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.605 -5.994 -12.045 1.00 0.00 H new ATOM 0 HG SER A 79 -8.274 -6.902 -13.380 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.555 -5.728 -9.163 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.706 -4.901 -8.310 1.00 0.00 C ATOM 1282 C LEU A 80 -4.417 -3.537 -8.923 1.00 0.00 C ATOM 1283 O LEU A 80 -4.172 -2.576 -8.198 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.390 -5.622 -8.010 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.503 -6.838 -7.087 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.155 -7.530 -6.954 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.022 -6.421 -5.717 1.00 0.00 C ATOM 0 H LEU A 80 -5.082 -6.545 -9.549 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.255 -4.735 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.948 -5.943 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.699 -4.909 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.212 -7.540 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.252 -8.392 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.817 -7.860 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.428 -6.834 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.096 -7.298 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.335 -5.701 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.006 -5.965 -5.824 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.434 -3.445 -10.247 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.174 -2.171 -10.911 1.00 0.00 C ATOM 1301 C GLN A 81 -5.303 -1.189 -10.607 1.00 0.00 C ATOM 1302 O GLN A 81 -5.059 -0.044 -10.240 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.016 -2.364 -12.424 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.144 -1.308 -13.097 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.818 0.044 -13.223 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -5.035 0.132 -13.400 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.033 1.103 -13.129 1.00 0.00 N ATOM 0 H GLN A 81 -4.622 -4.225 -10.876 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.238 -1.763 -10.529 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.587 -3.348 -12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.003 -2.354 -12.886 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.222 -1.193 -12.527 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.864 -1.659 -14.090 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.031 0.983 -12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.429 2.040 -13.203 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.541 -1.658 -10.736 1.00 0.00 N ATOM 1317 CA GLN A 82 -7.707 -0.831 -10.439 1.00 0.00 C ATOM 1318 C GLN A 82 -7.753 -0.480 -8.960 1.00 0.00 C ATOM 1319 O GLN A 82 -8.247 0.582 -8.578 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.001 -1.542 -10.843 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.324 -1.448 -12.328 1.00 0.00 C ATOM 1322 CD GLN A 82 -8.398 -2.271 -13.203 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.655 -3.445 -13.457 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -7.328 -1.660 -13.680 1.00 0.00 N ATOM 0 H GLN A 82 -6.763 -2.605 -11.044 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.619 0.088 -11.019 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.928 -2.593 -10.564 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.829 -1.118 -10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.351 -1.777 -12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.271 -0.404 -12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.151 -0.683 -13.445 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.679 -2.165 -14.284 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.231 -1.387 -8.140 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.145 -1.186 -6.699 1.00 0.00 C ATOM 1335 C LEU A 83 -6.427 0.130 -6.400 1.00 0.00 C ATOM 1336 O LEU A 83 -7.037 1.092 -5.934 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.408 -2.387 -6.066 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.363 -2.474 -4.527 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.430 -1.426 -3.937 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.761 -2.348 -3.942 1.00 0.00 C ATOM 0 H LEU A 83 -6.856 -2.281 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.144 -1.125 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.873 -3.300 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.381 -2.380 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.966 -3.453 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.422 -1.516 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.421 -1.579 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.777 -0.431 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.708 -2.412 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.190 -1.388 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.389 -3.154 -4.322 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.139 0.176 -6.705 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.325 1.351 -6.417 1.00 0.00 C ATOM 1354 C VAL A 84 -4.821 2.584 -7.166 1.00 0.00 C ATOM 1355 O VAL A 84 -4.891 3.678 -6.600 1.00 0.00 O ATOM 1356 CB VAL A 84 -2.841 1.112 -6.760 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.118 0.462 -5.591 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.704 0.247 -8.001 1.00 0.00 C ATOM 0 H VAL A 84 -4.632 -0.588 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.418 1.530 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.384 2.081 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.072 0.302 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.178 1.113 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.585 -0.496 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.648 0.093 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.183 -0.717 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.183 0.743 -8.845 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.168 2.395 -8.428 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.644 3.484 -9.276 1.00 0.00 C ATOM 1370 C ALA A 85 -6.825 4.227 -8.649 1.00 0.00 C ATOM 1371 O ALA A 85 -6.835 5.457 -8.605 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.024 2.955 -10.649 1.00 0.00 C ATOM 0 H ALA A 85 -5.129 1.489 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.827 4.198 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.377 3.778 -11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.153 2.495 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.815 2.212 -10.547 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.811 3.490 -8.155 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.010 4.115 -7.612 1.00 0.00 C ATOM 1380 C TYR A 86 -8.786 4.603 -6.183 1.00 0.00 C ATOM 1381 O TYR A 86 -9.335 5.627 -5.790 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.202 3.162 -7.664 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.508 3.804 -7.240 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.097 4.795 -8.012 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.147 3.421 -6.067 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.283 5.388 -7.629 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.334 4.011 -5.677 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.898 4.995 -6.462 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.078 5.590 -6.073 1.00 0.00 O ATOM 0 H TYR A 86 -7.806 2.471 -8.119 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.233 4.980 -8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.307 2.779 -8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.001 2.306 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.619 5.108 -8.929 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.709 2.650 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.727 6.158 -8.243 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.818 3.703 -4.762 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.379 5.197 -5.227 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.970 3.892 -5.410 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.692 4.299 -4.031 1.00 0.00 C ATOM 1401 C TYR A 87 -6.823 5.558 -3.983 1.00 0.00 C ATOM 1402 O TYR A 87 -6.597 6.132 -2.916 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.037 3.168 -3.237 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.021 2.171 -2.657 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -8.597 1.182 -3.442 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.365 2.215 -1.314 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -9.485 0.268 -2.904 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.246 1.302 -0.770 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.803 0.332 -1.567 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.667 -0.587 -1.020 1.00 0.00 O ATOM 0 H TYR A 87 -7.493 3.041 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.650 4.531 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.340 2.639 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.452 3.600 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.348 1.125 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.935 2.978 -0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.927 -0.493 -3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.497 1.350 0.279 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.428 -0.720 -1.623 1.00 0.00 H new ATOM 1420 N SER A 88 -6.341 5.985 -5.142 1.00 0.00 N ATOM 1421 CA SER A 88 -5.649 7.259 -5.253 1.00 0.00 C ATOM 1422 C SER A 88 -6.671 8.396 -5.319 1.00 0.00 C ATOM 1423 O SER A 88 -6.354 9.567 -5.096 1.00 0.00 O ATOM 1424 CB SER A 88 -4.756 7.266 -6.497 1.00 0.00 C ATOM 1425 OG SER A 88 -3.824 6.196 -6.462 1.00 0.00 O ATOM 0 H SER A 88 -6.417 5.467 -6.018 1.00 0.00 H new ATOM 0 HA SER A 88 -5.018 7.404 -4.376 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.373 7.186 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.223 8.215 -6.561 1.00 0.00 H new ATOM 0 HG SER A 88 -4.282 5.356 -6.674 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.909 8.022 -5.615 1.00 0.00 N ATOM 1432 CA LYS A 89 -9.015 8.964 -5.716 1.00 0.00 C ATOM 1433 C LYS A 89 -9.977 8.781 -4.543 1.00 0.00 C ATOM 1434 O LYS A 89 -10.663 9.714 -4.125 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.747 8.736 -7.044 1.00 0.00 C ATOM 1436 CG LYS A 89 -11.010 9.564 -7.215 1.00 0.00 C ATOM 1437 CD LYS A 89 -11.738 9.203 -8.498 1.00 0.00 C ATOM 1438 CE LYS A 89 -13.049 9.967 -8.635 1.00 0.00 C ATOM 1439 NZ LYS A 89 -12.842 11.439 -8.628 1.00 0.00 N ATOM 0 H LYS A 89 -8.175 7.053 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.628 9.983 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.065 8.962 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.005 7.680 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.670 9.404 -6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.754 10.623 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.098 9.421 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.938 8.132 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.543 9.675 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.716 9.691 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.723 11.915 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.571 11.747 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.087 11.687 -9.299 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.011 7.568 -4.016 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.924 7.212 -2.944 1.00 0.00 C ATOM 1455 C HIS A 90 -10.163 6.499 -1.836 1.00 0.00 C ATOM 1456 O HIS A 90 -9.789 5.341 -1.983 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.016 6.294 -3.492 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.404 6.699 -3.120 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.220 5.939 -2.316 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -14.138 7.773 -3.489 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.394 6.527 -2.206 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -15.373 7.644 -2.909 1.00 0.00 N ATOM 0 H HIS A 90 -9.407 6.804 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.379 8.116 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.938 6.265 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.837 5.281 -3.132 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.958 5.058 -1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -13.811 8.583 -4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.233 6.157 -1.636 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.927 7.199 -0.733 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.183 6.629 0.381 1.00 0.00 C ATOM 1473 C ALA A 91 -10.020 5.591 1.118 1.00 0.00 C ATOM 1474 O ALA A 91 -9.519 4.537 1.503 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.733 7.722 1.335 1.00 0.00 C ATOM 0 H ALA A 91 -10.239 8.159 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.299 6.132 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.178 7.278 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.092 8.426 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.605 8.247 1.724 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.303 5.908 1.300 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.272 5.000 1.917 1.00 0.00 C ATOM 1483 C ASP A 92 -11.889 4.605 3.341 1.00 0.00 C ATOM 1484 O ASP A 92 -12.302 5.250 4.304 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.472 3.746 1.066 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.738 3.807 0.242 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.830 3.916 0.838 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -13.649 3.760 -1.002 1.00 0.00 O ATOM 0 H ASP A 92 -11.701 6.805 1.023 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.211 5.551 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.616 3.619 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.505 2.871 1.715 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.094 3.553 3.466 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.719 3.053 4.773 1.00 0.00 C ATOM 1495 C GLY A 93 -9.391 3.608 5.235 1.00 0.00 C ATOM 1496 O GLY A 93 -9.163 3.768 6.436 1.00 0.00 O ATOM 0 H GLY A 93 -10.700 3.034 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.492 3.314 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.666 1.965 4.743 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.515 3.890 4.282 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.224 4.483 4.572 1.00 0.00 C ATOM 1502 C LEU A 94 -7.401 5.915 5.049 1.00 0.00 C ATOM 1503 O LEU A 94 -8.263 6.646 4.557 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.326 4.460 3.330 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.057 3.073 2.739 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.190 2.639 1.827 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.735 3.058 1.987 1.00 0.00 C ATOM 0 H LEU A 94 -8.681 3.714 3.291 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.748 3.897 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.783 5.082 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.371 4.919 3.585 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.995 2.364 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.972 1.651 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.120 2.602 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.292 3.352 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.562 2.064 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.769 3.786 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.925 3.313 2.670 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.591 6.302 6.022 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.621 7.657 6.550 1.00 0.00 C ATOM 1521 C CYS A 95 -6.029 8.639 5.544 1.00 0.00 C ATOM 1522 O CYS A 95 -6.233 9.849 5.647 1.00 0.00 O ATOM 1523 CB CYS A 95 -5.850 7.726 7.873 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.800 9.372 8.616 1.00 0.00 S ATOM 0 H CYS A 95 -5.902 5.694 6.464 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.660 7.934 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.304 7.033 8.582 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.829 7.385 7.704 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.001 10.269 7.697 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.290 8.110 4.577 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.670 8.931 3.547 1.00 0.00 C ATOM 1532 C HIS A 96 -4.835 8.260 2.193 1.00 0.00 C ATOM 1533 O HIS A 96 -4.564 7.068 2.049 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.176 9.140 3.833 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.882 9.632 5.218 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.073 10.945 5.575 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.437 8.943 6.293 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.744 11.023 6.852 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.352 9.835 7.327 1.00 0.00 N ATOM 0 H HIS A 96 -5.105 7.111 4.485 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.161 9.904 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.651 8.198 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.775 9.853 3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.195 7.891 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.786 11.929 7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.048 9.633 8.279 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.306 9.018 1.211 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.456 8.499 -0.139 1.00 0.00 C ATOM 1549 C ARG A 97 -4.093 8.314 -0.788 1.00 0.00 C ATOM 1550 O ARG A 97 -3.148 9.056 -0.494 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.312 9.441 -0.987 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.688 10.809 -1.211 1.00 0.00 C ATOM 1553 CD ARG A 97 -6.539 11.660 -2.135 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.878 11.879 -1.598 1.00 0.00 N ATOM 1555 CZ ARG A 97 -8.941 12.164 -2.343 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -8.831 12.236 -3.664 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -10.112 12.363 -1.757 1.00 0.00 N ATOM 0 H ARG A 97 -5.589 9.991 1.325 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.955 7.532 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.498 8.975 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.281 9.569 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.567 11.317 -0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.692 10.691 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.051 12.621 -2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.614 11.175 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.006 11.809 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.929 12.072 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.649 12.455 -4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.192 12.297 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.934 12.582 -2.320 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.998 7.328 -1.667 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.757 7.056 -2.372 1.00 0.00 C ATOM 1573 C LEU A 98 -2.383 8.259 -3.228 1.00 0.00 C ATOM 1574 O LEU A 98 -3.156 8.685 -4.087 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.903 5.802 -3.239 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.396 4.550 -2.503 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.429 3.353 -3.441 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.527 4.248 -1.296 1.00 0.00 C ATOM 0 H LEU A 98 -4.767 6.703 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.963 6.878 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.595 6.021 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.937 5.580 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.409 4.747 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.782 2.476 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.103 3.561 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.427 3.164 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.900 3.355 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.500 4.080 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.556 5.092 -0.606 1.00 0.00 H new ATOM 1590 N THR A 99 -1.220 8.833 -2.963 1.00 0.00 N ATOM 1591 CA THR A 99 -0.797 10.033 -3.666 1.00 0.00 C ATOM 1592 C THR A 99 0.384 9.739 -4.583 1.00 0.00 C ATOM 1593 O THR A 99 0.299 9.902 -5.804 1.00 0.00 O ATOM 1594 CB THR A 99 -0.414 11.140 -2.667 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.448 11.277 -1.680 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.209 12.472 -3.376 1.00 0.00 C ATOM 0 H THR A 99 -0.555 8.489 -2.270 1.00 0.00 H new ATOM 0 HA THR A 99 -1.635 10.375 -4.273 1.00 0.00 H new ATOM 0 HB THR A 99 0.523 10.858 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.202 11.981 -1.044 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.061 13.235 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.590 12.374 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.131 12.762 -3.880 1.00 0.00 H new ATOM 1604 N ASN A 100 1.480 9.291 -3.992 1.00 0.00 N ATOM 1605 CA ASN A 100 2.686 8.994 -4.740 1.00 0.00 C ATOM 1606 C ASN A 100 3.234 7.644 -4.312 1.00 0.00 C ATOM 1607 O ASN A 100 3.179 7.285 -3.138 1.00 0.00 O ATOM 1608 CB ASN A 100 3.735 10.097 -4.525 1.00 0.00 C ATOM 1609 CG ASN A 100 4.137 10.257 -3.068 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.513 11.008 -2.318 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.190 9.566 -2.665 1.00 0.00 N ATOM 0 H ASN A 100 1.557 9.125 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 100 2.446 8.956 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.621 9.869 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.340 11.044 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.513 9.644 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.679 8.955 -3.319 1.00 0.00 H new ATOM 1618 N VAL A 101 3.743 6.886 -5.266 1.00 0.00 N ATOM 1619 CA VAL A 101 4.246 5.556 -4.975 1.00 0.00 C ATOM 1620 C VAL A 101 5.641 5.660 -4.377 1.00 0.00 C ATOM 1621 O VAL A 101 6.372 6.610 -4.670 1.00 0.00 O ATOM 1622 CB VAL A 101 4.292 4.671 -6.235 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.347 3.204 -5.842 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.097 4.941 -7.139 1.00 0.00 C ATOM 0 H VAL A 101 3.819 7.166 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 101 3.564 5.090 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 101 5.194 4.918 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.379 2.588 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.240 3.021 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.462 2.950 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.156 4.302 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.175 4.728 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.103 5.986 -7.447 1.00 0.00 H new ATOM 1634 N CYS A 102 5.985 4.703 -3.523 1.00 0.00 N ATOM 1635 CA CYS A 102 7.290 4.675 -2.876 1.00 0.00 C ATOM 1636 C CYS A 102 8.406 4.711 -3.910 1.00 0.00 C ATOM 1637 O CYS A 102 8.480 3.849 -4.790 1.00 0.00 O ATOM 1638 CB CYS A 102 7.433 3.428 -1.993 1.00 0.00 C ATOM 1639 SG CYS A 102 9.011 3.322 -1.112 1.00 0.00 S ATOM 0 H CYS A 102 5.372 3.931 -3.261 1.00 0.00 H new ATOM 0 HA CYS A 102 7.370 5.560 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.622 3.416 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.316 2.540 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 102 9.035 2.239 -0.394 1.00 0.00 H new ATOM 1645 N PRO A 103 9.278 5.721 -3.827 1.00 0.00 N ATOM 1646 CA PRO A 103 10.400 5.861 -4.738 1.00 0.00 C ATOM 1647 C PRO A 103 11.586 5.020 -4.295 1.00 0.00 C ATOM 1648 O PRO A 103 11.890 4.937 -3.103 1.00 0.00 O ATOM 1649 CB PRO A 103 10.728 7.352 -4.659 1.00 0.00 C ATOM 1650 CG PRO A 103 10.282 7.788 -3.298 1.00 0.00 C ATOM 1651 CD PRO A 103 9.236 6.806 -2.829 1.00 0.00 C ATOM 0 HA PRO A 103 10.169 5.522 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 103 11.795 7.527 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.210 7.910 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.125 7.810 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.872 8.797 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.460 6.435 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.249 7.267 -2.785 1.00 0.00 H new ATOM 1659 N THR A 104 12.236 4.370 -5.247 1.00 0.00 N ATOM 1660 CA THR A 104 13.411 3.580 -4.940 1.00 0.00 C ATOM 1661 C THR A 104 14.555 4.492 -4.516 1.00 0.00 C ATOM 1662 O THR A 104 14.878 5.462 -5.208 1.00 0.00 O ATOM 1663 CB THR A 104 13.828 2.708 -6.139 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.838 3.489 -7.344 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.876 1.535 -6.300 1.00 0.00 C ATOM 0 H THR A 104 11.970 4.375 -6.232 1.00 0.00 H new ATOM 0 HA THR A 104 13.167 2.911 -4.115 1.00 0.00 H new ATOM 0 HB THR A 104 14.832 2.327 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.020 4.427 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.186 0.929 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.893 0.926 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.865 1.907 -6.468 1.00 0.00 H new ATOM 1673 N SER A 105 15.136 4.196 -3.363 1.00 0.00 N ATOM 1674 CA SER A 105 16.168 5.031 -2.779 1.00 0.00 C ATOM 1675 C SER A 105 17.410 5.084 -3.659 1.00 0.00 C ATOM 1676 O SER A 105 17.990 4.051 -4.003 1.00 0.00 O ATOM 1677 CB SER A 105 16.507 4.510 -1.384 1.00 0.00 C ATOM 1678 OG SER A 105 16.593 3.091 -1.378 1.00 0.00 O ATOM 0 H SER A 105 14.904 3.372 -2.809 1.00 0.00 H new ATOM 0 HA SER A 105 15.791 6.051 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.454 4.937 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.745 4.835 -0.675 1.00 0.00 H new ATOM 0 HG SER A 105 16.813 2.780 -0.475 1.00 0.00 H new ATOM 1684 N LYS A 106 17.800 6.294 -4.029 1.00 0.00 N ATOM 1685 CA LYS A 106 18.962 6.507 -4.872 1.00 0.00 C ATOM 1686 C LYS A 106 19.746 7.721 -4.383 1.00 0.00 C ATOM 1687 O LYS A 106 19.674 8.792 -5.020 1.00 0.00 O ATOM 1688 CB LYS A 106 18.535 6.674 -6.338 1.00 0.00 C ATOM 1689 CG LYS A 106 17.327 7.583 -6.534 1.00 0.00 C ATOM 1690 CD LYS A 106 16.932 7.682 -8.002 1.00 0.00 C ATOM 1691 CE LYS A 106 17.967 8.443 -8.814 1.00 0.00 C ATOM 1692 NZ LYS A 106 17.619 8.478 -10.258 1.00 0.00 N ATOM 1693 OXT LYS A 106 20.413 7.604 -3.334 1.00 0.00 O ATOM 0 H LYS A 106 17.321 7.151 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 106 19.612 5.634 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 106 19.374 7.075 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 106 18.309 5.692 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 106 16.486 7.201 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 106 17.553 8.578 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 106 16.811 6.680 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 106 15.966 8.180 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 106 18.049 9.462 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 106 18.944 7.976 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 18.349 9.006 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.566 7.507 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.699 8.946 -10.382 1.00 0.00 H new TER 1707 LYS A 106