USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= -4.64 X(o=-9.7,f=-10!) USER MOD Set 1.2: A 81 MET CE :methyl 178:sc= -5.08 (180deg=-4.1) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -7.21! C(o=-19!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.483 USER MOD Set 2.3: A 25 MET CE :methyl -150:sc= -4.63! (180deg=-6.32!) USER MOD Set 2.4: A 48 MET CE :methyl 138:sc= -3.35 (180deg=-1.21) USER MOD Set 2.5: A 57 MET CE :methyl 138:sc= -3.21 (180deg=-5.17!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -11:sc= 0.88 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.23) USER MOD Single : A 14 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 120:sc= -1.88 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.668 USER MOD Single : A 34 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.4!) USER MOD Single : A 39 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.17) USER MOD Single : A 41 HIS : no HE2:sc= -2.92 K(o=-2.9,f=-5.7!) USER MOD Single : A 43 GLN : amide:sc= -3.46! C(o=-3.5!,f=-3.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0981 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0167 (180deg=-0.244) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -170:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.037) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.915 K(o=-0.91,f=-3.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.739 USER MOD Single : A 80 SER OG : rot 11:sc= 1.29 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.667 -0.199 17.531 1.00 70.31 N ATOM 12 CA ARG A 3 -10.453 -0.972 17.291 1.00 21.51 C ATOM 13 C ARG A 3 -9.733 -0.478 16.040 1.00 71.34 C ATOM 14 O ARG A 3 -10.360 -0.209 15.017 1.00 4.20 O ATOM 15 CB ARG A 3 -10.789 -2.457 17.147 1.00 1.23 C ATOM 16 CG ARG A 3 -10.684 -3.235 18.449 1.00 60.04 C ATOM 17 CD ARG A 3 -10.606 -4.733 18.198 1.00 62.02 C ATOM 18 NE ARG A 3 -10.551 -5.494 19.443 1.00 62.22 N ATOM 19 CZ ARG A 3 -10.599 -6.820 19.496 1.00 71.24 C ATOM 20 NH1 ARG A 3 -10.700 -7.528 18.379 1.00 12.33 N ATOM 21 NH2 ARG A 3 -10.543 -7.441 20.667 1.00 14.22 N ATOM 0 HA ARG A 3 -9.791 -0.838 18.147 1.00 21.51 H new ATOM 0 HB2 ARG A 3 -11.802 -2.555 16.756 1.00 1.23 H new ATOM 0 HB3 ARG A 3 -10.119 -2.903 16.412 1.00 1.23 H new ATOM 0 HG2 ARG A 3 -9.800 -2.910 18.998 1.00 60.04 H new ATOM 0 HG3 ARG A 3 -11.548 -3.015 19.077 1.00 60.04 H new ATOM 0 HD2 ARG A 3 -11.473 -5.049 17.618 1.00 62.02 H new ATOM 0 HD3 ARG A 3 -9.723 -4.955 17.598 1.00 62.02 H new ATOM 0 HE ARG A 3 -10.471 -4.979 20.320 1.00 62.22 H new ATOM 0 HH11 ARG A 3 -10.741 -7.054 17.477 1.00 12.33 H new ATOM 0 HH12 ARG A 3 -10.737 -8.546 18.422 1.00 12.33 H new ATOM 0 HH21 ARG A 3 -10.463 -6.900 21.528 1.00 14.22 H new ATOM 0 HH22 ARG A 3 -10.580 -8.460 20.706 1.00 14.22 H new ATOM 35 N GLN A 4 -8.412 -0.360 16.132 1.00 55.54 N ATOM 36 CA GLN A 4 -7.606 0.101 15.007 1.00 21.12 C ATOM 37 C GLN A 4 -6.943 -1.073 14.294 1.00 4.31 C ATOM 38 O GLN A 4 -6.711 -2.124 14.890 1.00 33.21 O ATOM 39 CB GLN A 4 -6.542 1.089 15.488 1.00 42.33 C ATOM 40 CG GLN A 4 -7.011 2.535 15.491 1.00 53.13 C ATOM 41 CD GLN A 4 -5.902 3.507 15.841 1.00 23.33 C ATOM 42 OE1 GLN A 4 -4.832 3.108 16.302 1.00 0.22 O ATOM 43 NE2 GLN A 4 -6.151 4.793 15.622 1.00 10.01 N ATOM 0 H GLN A 4 -7.877 -0.577 16.973 1.00 55.54 H new ATOM 0 HA GLN A 4 -8.266 0.604 14.300 1.00 21.12 H new ATOM 0 HB2 GLN A 4 -6.232 0.814 16.496 1.00 42.33 H new ATOM 0 HB3 GLN A 4 -5.663 1.002 14.850 1.00 42.33 H new ATOM 0 HG2 GLN A 4 -7.412 2.785 14.509 1.00 53.13 H new ATOM 0 HG3 GLN A 4 -7.826 2.647 16.206 1.00 53.13 H new ATOM 0 HE21 GLN A 4 -7.052 5.080 15.239 1.00 10.01 H new ATOM 0 HE22 GLN A 4 -5.442 5.494 15.837 1.00 10.01 H new ATOM 52 N VAL A 5 -6.642 -0.886 13.013 1.00 74.41 N ATOM 53 CA VAL A 5 -6.004 -1.929 12.218 1.00 11.22 C ATOM 54 C VAL A 5 -4.637 -1.479 11.717 1.00 40.23 C ATOM 55 O VAL A 5 -4.356 -0.283 11.636 1.00 31.23 O ATOM 56 CB VAL A 5 -6.876 -2.327 11.012 1.00 34.24 C ATOM 57 CG1 VAL A 5 -8.241 -2.812 11.477 1.00 62.23 C ATOM 58 CG2 VAL A 5 -7.015 -1.160 10.047 1.00 22.21 C ATOM 0 H VAL A 5 -6.830 -0.022 12.504 1.00 74.41 H new ATOM 0 HA VAL A 5 -5.882 -2.794 12.870 1.00 11.22 H new ATOM 0 HB VAL A 5 -6.386 -3.146 10.486 1.00 34.24 H new ATOM 0 HG11 VAL A 5 -8.843 -3.089 10.612 1.00 62.23 H new ATOM 0 HG12 VAL A 5 -8.117 -3.679 12.125 1.00 62.23 H new ATOM 0 HG13 VAL A 5 -8.742 -2.016 12.028 1.00 62.23 H new ATOM 0 HG21 VAL A 5 -7.634 -1.459 9.201 1.00 22.21 H new ATOM 0 HG22 VAL A 5 -7.482 -0.318 10.559 1.00 22.21 H new ATOM 0 HG23 VAL A 5 -6.029 -0.865 9.688 1.00 22.21 H new ATOM 68 N ILE A 6 -3.789 -2.446 11.380 1.00 45.03 N ATOM 69 CA ILE A 6 -2.451 -2.148 10.883 1.00 33.03 C ATOM 70 C ILE A 6 -2.459 -1.937 9.373 1.00 41.20 C ATOM 71 O ILE A 6 -3.281 -2.514 8.659 1.00 73.42 O ATOM 72 CB ILE A 6 -1.460 -3.276 11.227 1.00 1.10 C ATOM 73 CG1 ILE A 6 -1.522 -3.601 12.721 1.00 74.31 C ATOM 74 CG2 ILE A 6 -0.047 -2.881 10.824 1.00 41.43 C ATOM 75 CD1 ILE A 6 -2.523 -4.681 13.064 1.00 22.41 C ATOM 0 H ILE A 6 -4.005 -3.441 11.442 1.00 45.03 H new ATOM 0 HA ILE A 6 -2.129 -1.229 11.373 1.00 33.03 H new ATOM 0 HB ILE A 6 -1.740 -4.169 10.668 1.00 1.10 H new ATOM 0 HG12 ILE A 6 -0.533 -3.913 13.058 1.00 74.31 H new ATOM 0 HG13 ILE A 6 -1.775 -2.695 13.271 1.00 74.31 H new ATOM 0 HG21 ILE A 6 0.642 -3.688 11.074 1.00 41.43 H new ATOM 0 HG22 ILE A 6 -0.014 -2.694 9.751 1.00 41.43 H new ATOM 0 HG23 ILE A 6 0.245 -1.977 11.359 1.00 41.43 H new ATOM 0 HD11 ILE A 6 -2.512 -4.859 14.139 1.00 22.41 H new ATOM 0 HD12 ILE A 6 -3.520 -4.363 12.759 1.00 22.41 H new ATOM 0 HD13 ILE A 6 -2.259 -5.601 12.542 1.00 22.41 H new ATOM 87 N CYS A 7 -1.539 -1.108 8.892 1.00 73.13 N ATOM 88 CA CYS A 7 -1.439 -0.821 7.466 1.00 60.10 C ATOM 89 C CYS A 7 -0.757 -1.968 6.727 1.00 63.41 C ATOM 90 O CYS A 7 -0.008 -2.745 7.321 1.00 22.34 O ATOM 91 CB CYS A 7 -0.665 0.479 7.240 1.00 43.42 C ATOM 92 SG CYS A 7 1.118 0.331 7.497 1.00 40.43 S ATOM 0 H CYS A 7 -0.852 -0.623 9.469 1.00 73.13 H new ATOM 0 HA CYS A 7 -2.449 -0.708 7.071 1.00 60.10 H new ATOM 0 HB2 CYS A 7 -0.847 0.825 6.223 1.00 43.42 H new ATOM 0 HB3 CYS A 7 -1.056 1.243 7.912 1.00 43.42 H new ATOM 0 HG CYS A 7 1.685 1.481 7.280 1.00 40.43 H new ATOM 98 N TRP A 8 -1.023 -2.070 5.430 1.00 70.24 N ATOM 99 CA TRP A 8 -0.436 -3.124 4.610 1.00 21.21 C ATOM 100 C TRP A 8 0.653 -2.564 3.701 1.00 2.13 C ATOM 101 O TRP A 8 0.379 -1.753 2.815 1.00 54.41 O ATOM 102 CB TRP A 8 -1.518 -3.806 3.770 1.00 63.33 C ATOM 103 CG TRP A 8 -2.488 -4.604 4.587 1.00 51.45 C ATOM 104 CD1 TRP A 8 -3.393 -4.121 5.488 1.00 53.42 C ATOM 105 CD2 TRP A 8 -2.649 -6.028 4.576 1.00 73.44 C ATOM 106 NE1 TRP A 8 -4.106 -5.159 6.040 1.00 71.24 N ATOM 107 CE2 TRP A 8 -3.669 -6.338 5.496 1.00 12.22 C ATOM 108 CE3 TRP A 8 -2.031 -7.069 3.878 1.00 20.55 C ATOM 109 CZ2 TRP A 8 -4.084 -7.646 5.735 1.00 75.22 C ATOM 110 CZ3 TRP A 8 -2.443 -8.366 4.117 1.00 55.23 C ATOM 111 CH2 TRP A 8 -3.461 -8.646 5.038 1.00 50.20 C ATOM 0 H TRP A 8 -1.641 -1.436 4.923 1.00 70.24 H new ATOM 0 HA TRP A 8 0.016 -3.860 5.276 1.00 21.21 H new ATOM 0 HB2 TRP A 8 -2.064 -3.048 3.209 1.00 63.33 H new ATOM 0 HB3 TRP A 8 -1.042 -4.462 3.041 1.00 63.33 H new ATOM 0 HD1 TRP A 8 -3.529 -3.078 5.731 1.00 53.42 H new ATOM 0 HE1 TRP A 8 -4.841 -5.066 6.741 1.00 71.24 H new ATOM 0 HE3 TRP A 8 -1.246 -6.864 3.165 1.00 20.55 H new ATOM 0 HZ2 TRP A 8 -4.869 -7.863 6.444 1.00 75.22 H new ATOM 0 HZ3 TRP A 8 -1.972 -9.179 3.584 1.00 55.23 H new ATOM 0 HH2 TRP A 8 -3.760 -9.671 5.201 1.00 50.20 H new ATOM 122 N CYS A 9 1.887 -3.002 3.927 1.00 61.42 N ATOM 123 CA CYS A 9 3.018 -2.544 3.128 1.00 63.51 C ATOM 124 C CYS A 9 3.333 -3.534 2.012 1.00 30.13 C ATOM 125 O CYS A 9 3.671 -4.689 2.271 1.00 50.43 O ATOM 126 CB CYS A 9 4.248 -2.346 4.014 1.00 72.22 C ATOM 127 SG CYS A 9 4.697 -3.802 4.988 1.00 13.02 S ATOM 0 H CYS A 9 2.129 -3.673 4.656 1.00 61.42 H new ATOM 0 HA CYS A 9 2.748 -1.590 2.675 1.00 63.51 H new ATOM 0 HB2 CYS A 9 5.094 -2.067 3.386 1.00 72.22 H new ATOM 0 HB3 CYS A 9 4.065 -1.512 4.691 1.00 72.22 H new ATOM 0 HG CYS A 9 3.737 -4.676 4.929 1.00 13.02 H new ATOM 133 N PHE A 10 3.218 -3.075 0.771 1.00 43.24 N ATOM 134 CA PHE A 10 3.488 -3.922 -0.385 1.00 45.53 C ATOM 135 C PHE A 10 4.305 -3.170 -1.433 1.00 33.23 C ATOM 136 O PHE A 10 4.401 -1.942 -1.399 1.00 13.25 O ATOM 137 CB PHE A 10 2.176 -4.412 -1.003 1.00 15.01 C ATOM 138 CG PHE A 10 1.593 -3.460 -2.007 1.00 32.22 C ATOM 139 CD1 PHE A 10 1.043 -2.255 -1.601 1.00 11.31 C ATOM 140 CD2 PHE A 10 1.595 -3.770 -3.357 1.00 52.14 C ATOM 141 CE1 PHE A 10 0.505 -1.378 -2.523 1.00 43.13 C ATOM 142 CE2 PHE A 10 1.059 -2.897 -4.285 1.00 24.13 C ATOM 143 CZ PHE A 10 0.515 -1.698 -3.867 1.00 4.44 C ATOM 0 H PHE A 10 2.940 -2.121 0.540 1.00 43.24 H new ATOM 0 HA PHE A 10 4.067 -4.781 -0.046 1.00 45.53 H new ATOM 0 HB2 PHE A 10 2.348 -5.375 -1.485 1.00 15.01 H new ATOM 0 HB3 PHE A 10 1.449 -4.579 -0.208 1.00 15.01 H new ATOM 0 HD1 PHE A 10 1.035 -1.998 -0.552 1.00 11.31 H new ATOM 0 HD2 PHE A 10 2.021 -4.706 -3.689 1.00 52.14 H new ATOM 0 HE1 PHE A 10 0.077 -0.443 -2.193 1.00 43.13 H new ATOM 0 HE2 PHE A 10 1.065 -3.152 -5.335 1.00 24.13 H new ATOM 0 HZ PHE A 10 0.098 -1.012 -4.590 1.00 4.44 H new ATOM 153 N THR A 11 4.894 -3.915 -2.362 1.00 53.34 N ATOM 154 CA THR A 11 5.704 -3.321 -3.418 1.00 65.52 C ATOM 155 C THR A 11 5.340 -3.897 -4.781 1.00 72.42 C ATOM 156 O THR A 11 5.424 -5.107 -4.998 1.00 60.20 O ATOM 157 CB THR A 11 7.207 -3.542 -3.164 1.00 54.45 C ATOM 158 OG1 THR A 11 7.494 -3.410 -1.768 1.00 23.32 O ATOM 159 CG2 THR A 11 8.042 -2.547 -3.955 1.00 43.53 C ATOM 0 H THR A 11 4.825 -4.932 -2.405 1.00 53.34 H new ATOM 0 HA THR A 11 5.495 -2.251 -3.412 1.00 65.52 H new ATOM 0 HB THR A 11 7.463 -4.549 -3.493 1.00 54.45 H new ATOM 0 HG1 THR A 11 8.451 -3.554 -1.616 1.00 23.32 H new ATOM 0 HG21 THR A 11 9.100 -2.723 -3.759 1.00 43.53 H new ATOM 0 HG22 THR A 11 7.844 -2.671 -5.020 1.00 43.53 H new ATOM 0 HG23 THR A 11 7.781 -1.532 -3.654 1.00 43.53 H new ATOM 167 N LEU A 12 4.936 -3.025 -5.699 1.00 32.44 N ATOM 168 CA LEU A 12 4.560 -3.448 -7.042 1.00 63.13 C ATOM 169 C LEU A 12 5.608 -3.013 -8.063 1.00 4.40 C ATOM 170 O LEU A 12 5.901 -1.827 -8.199 1.00 4.12 O ATOM 171 CB LEU A 12 3.196 -2.867 -7.418 1.00 3.44 C ATOM 172 CG LEU A 12 2.735 -3.109 -8.856 1.00 65.31 C ATOM 173 CD1 LEU A 12 2.967 -4.558 -9.254 1.00 4.35 C ATOM 174 CD2 LEU A 12 1.268 -2.737 -9.017 1.00 34.13 C ATOM 0 H LEU A 12 4.861 -2.021 -5.537 1.00 32.44 H new ATOM 0 HA LEU A 12 4.500 -4.536 -7.050 1.00 63.13 H new ATOM 0 HB2 LEU A 12 2.448 -3.283 -6.743 1.00 3.44 H new ATOM 0 HB3 LEU A 12 3.221 -1.792 -7.242 1.00 3.44 H new ATOM 0 HG LEU A 12 3.324 -2.473 -9.517 1.00 65.31 H new ATOM 0 HD11 LEU A 12 2.633 -4.711 -10.280 1.00 4.35 H new ATOM 0 HD12 LEU A 12 4.029 -4.790 -9.180 1.00 4.35 H new ATOM 0 HD13 LEU A 12 2.405 -5.213 -8.588 1.00 4.35 H new ATOM 0 HD21 LEU A 12 0.958 -2.916 -10.047 1.00 34.13 H new ATOM 0 HD22 LEU A 12 0.663 -3.345 -8.345 1.00 34.13 H new ATOM 0 HD23 LEU A 12 1.131 -1.683 -8.775 1.00 34.13 H new ATOM 186 N ASN A 13 6.166 -3.984 -8.779 1.00 53.13 N ATOM 187 CA ASN A 13 7.180 -3.702 -9.788 1.00 42.14 C ATOM 188 C ASN A 13 6.590 -3.795 -11.193 1.00 13.21 C ATOM 189 O ASN A 13 5.838 -4.718 -11.501 1.00 14.41 O ATOM 190 CB ASN A 13 8.352 -4.676 -9.650 1.00 62.10 C ATOM 191 CG ASN A 13 7.895 -6.098 -9.384 1.00 65.51 C ATOM 192 OD1 ASN A 13 6.931 -6.573 -9.983 1.00 12.43 O ATOM 193 ND2 ASN A 13 8.588 -6.781 -8.481 1.00 10.40 N ATOM 0 H ASN A 13 5.933 -4.972 -8.679 1.00 53.13 H new ATOM 0 HA ASN A 13 7.541 -2.685 -9.630 1.00 42.14 H new ATOM 0 HB2 ASN A 13 8.948 -4.654 -10.562 1.00 62.10 H new ATOM 0 HB3 ASN A 13 9.000 -4.348 -8.837 1.00 62.10 H new ATOM 0 HD21 ASN A 13 8.328 -7.742 -8.259 1.00 10.40 H new ATOM 0 HD22 ASN A 13 9.380 -6.345 -8.010 1.00 10.40 H new ATOM 200 N ASN A 14 6.938 -2.832 -12.040 1.00 52.20 N ATOM 201 CA ASN A 14 6.443 -2.805 -13.411 1.00 3.33 C ATOM 202 C ASN A 14 4.927 -2.976 -13.446 1.00 60.34 C ATOM 203 O ASN A 14 4.400 -3.953 -13.980 1.00 64.30 O ATOM 204 CB ASN A 14 7.110 -3.906 -14.238 1.00 53.13 C ATOM 205 CG ASN A 14 7.232 -3.535 -15.704 1.00 75.31 C ATOM 206 OD1 ASN A 14 6.852 -2.437 -16.112 1.00 14.51 O ATOM 207 ND2 ASN A 14 7.766 -4.451 -16.503 1.00 40.42 N ATOM 0 H ASN A 14 7.561 -2.060 -11.801 1.00 52.20 H new ATOM 0 HA ASN A 14 6.692 -1.835 -13.841 1.00 3.33 H new ATOM 0 HB2 ASN A 14 8.102 -4.110 -13.834 1.00 53.13 H new ATOM 0 HB3 ASN A 14 6.533 -4.826 -14.146 1.00 53.13 H new ATOM 0 HD21 ASN A 14 7.875 -4.258 -17.499 1.00 40.42 H new ATOM 0 HD22 ASN A 14 8.067 -5.348 -16.121 1.00 40.42 H new ATOM 214 N PRO A 15 4.209 -2.004 -12.865 1.00 52.34 N ATOM 215 CA PRO A 15 2.743 -2.023 -12.817 1.00 75.12 C ATOM 216 C PRO A 15 2.116 -1.802 -14.188 1.00 4.42 C ATOM 217 O PRO A 15 2.617 -1.014 -14.992 1.00 43.13 O ATOM 218 CB PRO A 15 2.405 -0.863 -11.880 1.00 23.54 C ATOM 219 CG PRO A 15 3.568 0.062 -11.984 1.00 32.01 C ATOM 220 CD PRO A 15 4.771 -0.812 -12.210 1.00 31.21 C ATOM 0 HA PRO A 15 2.358 -2.986 -12.481 1.00 75.12 H new ATOM 0 HB2 PRO A 15 1.480 -0.370 -12.179 1.00 23.54 H new ATOM 0 HB3 PRO A 15 2.266 -1.209 -10.856 1.00 23.54 H new ATOM 0 HG2 PRO A 15 3.436 0.765 -12.807 1.00 32.01 H new ATOM 0 HG3 PRO A 15 3.680 0.653 -11.075 1.00 32.01 H new ATOM 0 HD2 PRO A 15 5.513 -0.320 -12.839 1.00 31.21 H new ATOM 0 HD3 PRO A 15 5.266 -1.065 -11.272 1.00 31.21 H new ATOM 228 N LEU A 16 1.016 -2.500 -14.451 1.00 63.41 N ATOM 229 CA LEU A 16 0.319 -2.378 -15.727 1.00 34.53 C ATOM 230 C LEU A 16 -0.693 -1.238 -15.687 1.00 1.21 C ATOM 231 O LEU A 16 -1.307 -0.904 -16.701 1.00 13.10 O ATOM 232 CB LEU A 16 -0.387 -3.691 -16.071 1.00 4.35 C ATOM 233 CG LEU A 16 0.469 -4.754 -16.759 1.00 75.40 C ATOM 234 CD1 LEU A 16 0.367 -6.081 -16.023 1.00 10.43 C ATOM 235 CD2 LEU A 16 0.054 -4.914 -18.214 1.00 34.03 C ATOM 0 H LEU A 16 0.588 -3.156 -13.798 1.00 63.41 H new ATOM 0 HA LEU A 16 1.057 -2.157 -16.498 1.00 34.53 H new ATOM 0 HB2 LEU A 16 -0.788 -4.116 -15.151 1.00 4.35 H new ATOM 0 HB3 LEU A 16 -1.237 -3.465 -16.715 1.00 4.35 H new ATOM 0 HG LEU A 16 1.509 -4.428 -16.733 1.00 75.40 H new ATOM 0 HD11 LEU A 16 0.983 -6.825 -16.528 1.00 10.43 H new ATOM 0 HD12 LEU A 16 0.715 -5.956 -14.998 1.00 10.43 H new ATOM 0 HD13 LEU A 16 -0.671 -6.414 -16.015 1.00 10.43 H new ATOM 0 HD21 LEU A 16 0.674 -5.675 -18.688 1.00 34.03 H new ATOM 0 HD22 LEU A 16 -0.992 -5.217 -18.263 1.00 34.03 H new ATOM 0 HD23 LEU A 16 0.182 -3.965 -18.735 1.00 34.03 H new ATOM 247 N SER A 17 -0.860 -0.642 -14.511 1.00 64.12 N ATOM 248 CA SER A 17 -1.799 0.461 -14.339 1.00 63.30 C ATOM 249 C SER A 17 -1.789 0.963 -12.899 1.00 24.22 C ATOM 250 O SER A 17 -1.357 0.272 -11.976 1.00 64.14 O ATOM 251 CB SER A 17 -3.211 0.021 -14.729 1.00 23.33 C ATOM 252 OG SER A 17 -4.003 -0.229 -13.580 1.00 72.32 O ATOM 0 H SER A 17 -0.357 -0.904 -13.663 1.00 64.12 H new ATOM 0 HA SER A 17 -1.487 1.277 -14.991 1.00 63.30 H new ATOM 0 HB2 SER A 17 -3.681 0.794 -15.337 1.00 23.33 H new ATOM 0 HB3 SER A 17 -3.159 -0.879 -15.341 1.00 23.33 H new ATOM 0 HG SER A 17 -4.901 -0.507 -13.856 1.00 72.32 H new ATOM 258 N PRO A 18 -2.277 2.197 -12.699 1.00 0.40 N ATOM 259 CA PRO A 18 -2.337 2.820 -11.375 1.00 33.31 C ATOM 260 C PRO A 18 -3.370 2.159 -10.468 1.00 44.35 C ATOM 261 O PRO A 18 -4.349 1.582 -10.944 1.00 24.23 O ATOM 262 CB PRO A 18 -2.739 4.265 -11.679 1.00 4.21 C ATOM 263 CG PRO A 18 -3.462 4.189 -12.981 1.00 32.55 C ATOM 264 CD PRO A 18 -2.809 3.078 -13.753 1.00 72.14 C ATOM 0 HA PRO A 18 -1.391 2.730 -10.840 1.00 33.31 H new ATOM 0 HB2 PRO A 18 -3.377 4.672 -10.895 1.00 4.21 H new ATOM 0 HB3 PRO A 18 -1.865 4.913 -11.748 1.00 4.21 H new ATOM 0 HG2 PRO A 18 -4.522 3.987 -12.827 1.00 32.55 H new ATOM 0 HG3 PRO A 18 -3.393 5.133 -13.522 1.00 32.55 H new ATOM 0 HD2 PRO A 18 -3.524 2.557 -14.389 1.00 72.14 H new ATOM 0 HD3 PRO A 18 -2.017 3.451 -14.402 1.00 72.14 H new ATOM 272 N LEU A 19 -3.146 2.246 -9.162 1.00 72.32 N ATOM 273 CA LEU A 19 -4.059 1.656 -8.188 1.00 42.24 C ATOM 274 C LEU A 19 -5.264 2.560 -7.955 1.00 32.43 C ATOM 275 O LEU A 19 -5.294 3.703 -8.412 1.00 53.40 O ATOM 276 CB LEU A 19 -3.332 1.403 -6.867 1.00 35.42 C ATOM 277 CG LEU A 19 -1.958 0.739 -6.972 1.00 44.02 C ATOM 278 CD1 LEU A 19 -1.152 0.974 -5.704 1.00 24.13 C ATOM 279 CD2 LEU A 19 -2.106 -0.751 -7.243 1.00 70.23 C ATOM 0 H LEU A 19 -2.341 2.719 -8.752 1.00 72.32 H new ATOM 0 HA LEU A 19 -4.414 0.706 -8.587 1.00 42.24 H new ATOM 0 HB2 LEU A 19 -3.214 2.356 -6.352 1.00 35.42 H new ATOM 0 HB3 LEU A 19 -3.968 0.779 -6.239 1.00 35.42 H new ATOM 0 HG LEU A 19 -1.421 1.189 -7.807 1.00 44.02 H new ATOM 0 HD11 LEU A 19 -0.178 0.494 -5.798 1.00 24.13 H new ATOM 0 HD12 LEU A 19 -1.016 2.045 -5.553 1.00 24.13 H new ATOM 0 HD13 LEU A 19 -1.684 0.552 -4.851 1.00 24.13 H new ATOM 0 HD21 LEU A 19 -1.119 -1.208 -7.315 1.00 70.23 H new ATOM 0 HD22 LEU A 19 -2.662 -1.215 -6.429 1.00 70.23 H new ATOM 0 HD23 LEU A 19 -2.643 -0.899 -8.180 1.00 70.23 H new ATOM 291 N SER A 20 -6.256 2.043 -7.236 1.00 62.35 N ATOM 292 CA SER A 20 -7.465 2.803 -6.942 1.00 23.40 C ATOM 293 C SER A 20 -8.053 2.389 -5.596 1.00 64.35 C ATOM 294 O SER A 20 -7.678 1.360 -5.032 1.00 21.14 O ATOM 295 CB SER A 20 -8.501 2.602 -8.049 1.00 21.14 C ATOM 296 OG SER A 20 -8.787 1.226 -8.235 1.00 21.25 O ATOM 0 H SER A 20 -6.246 1.100 -6.846 1.00 62.35 H new ATOM 0 HA SER A 20 -7.198 3.859 -6.892 1.00 23.40 H new ATOM 0 HB2 SER A 20 -9.417 3.136 -7.796 1.00 21.14 H new ATOM 0 HB3 SER A 20 -8.130 3.029 -8.981 1.00 21.14 H new ATOM 0 HG SER A 20 -9.453 1.124 -8.947 1.00 21.25 H new ATOM 302 N LEU A 21 -8.977 3.197 -5.088 1.00 3.52 N ATOM 303 CA LEU A 21 -9.620 2.916 -3.809 1.00 71.23 C ATOM 304 C LEU A 21 -10.419 1.618 -3.875 1.00 60.45 C ATOM 305 O LEU A 21 -10.911 1.232 -4.936 1.00 23.11 O ATOM 306 CB LEU A 21 -10.537 4.073 -3.412 1.00 34.32 C ATOM 307 CG LEU A 21 -11.513 3.794 -2.268 1.00 70.11 C ATOM 308 CD1 LEU A 21 -10.764 3.639 -0.953 1.00 71.42 C ATOM 309 CD2 LEU A 21 -12.547 4.905 -2.167 1.00 2.24 C ATOM 0 H LEU A 21 -9.298 4.052 -5.542 1.00 3.52 H new ATOM 0 HA LEU A 21 -8.841 2.803 -3.055 1.00 71.23 H new ATOM 0 HB2 LEU A 21 -9.915 4.924 -3.133 1.00 34.32 H new ATOM 0 HB3 LEU A 21 -11.112 4.372 -4.289 1.00 34.32 H new ATOM 0 HG LEU A 21 -12.033 2.859 -2.479 1.00 70.11 H new ATOM 0 HD11 LEU A 21 -11.475 3.441 -0.151 1.00 71.42 H new ATOM 0 HD12 LEU A 21 -10.062 2.808 -1.030 1.00 71.42 H new ATOM 0 HD13 LEU A 21 -10.217 4.557 -0.735 1.00 71.42 H new ATOM 0 HD21 LEU A 21 -13.233 4.690 -1.348 1.00 2.24 H new ATOM 0 HD22 LEU A 21 -12.044 5.854 -1.980 1.00 2.24 H new ATOM 0 HD23 LEU A 21 -13.105 4.968 -3.101 1.00 2.24 H new ATOM 321 N HIS A 22 -10.545 0.949 -2.733 1.00 42.32 N ATOM 322 CA HIS A 22 -11.287 -0.305 -2.660 1.00 62.51 C ATOM 323 C HIS A 22 -12.504 -0.164 -1.751 1.00 22.01 C ATOM 324 O HIS A 22 -12.420 0.424 -0.673 1.00 73.01 O ATOM 325 CB HIS A 22 -10.383 -1.428 -2.151 1.00 53.14 C ATOM 326 CG HIS A 22 -10.886 -2.799 -2.483 1.00 11.30 C ATOM 327 ND1 HIS A 22 -10.847 -3.851 -1.593 1.00 74.31 N ATOM 328 CD2 HIS A 22 -11.445 -3.287 -3.615 1.00 3.24 C ATOM 329 CE1 HIS A 22 -11.357 -4.928 -2.163 1.00 5.42 C ATOM 330 NE2 HIS A 22 -11.729 -4.612 -3.390 1.00 43.23 N ATOM 0 H HIS A 22 -10.143 1.254 -1.846 1.00 42.32 H new ATOM 0 HA HIS A 22 -11.632 -0.553 -3.664 1.00 62.51 H new ATOM 0 HB2 HIS A 22 -9.387 -1.303 -2.576 1.00 53.14 H new ATOM 0 HB3 HIS A 22 -10.281 -1.339 -1.069 1.00 53.14 H new ATOM 0 HD2 HIS A 22 -11.633 -2.737 -4.525 1.00 3.24 H new ATOM 0 HE1 HIS A 22 -11.453 -5.901 -1.704 1.00 5.42 H new ATOM 0 HE2 HIS A 22 -12.158 -5.249 -4.062 1.00 43.23 H new ATOM 338 N ASP A 23 -13.633 -0.705 -2.194 1.00 42.31 N ATOM 339 CA ASP A 23 -14.867 -0.640 -1.421 1.00 24.45 C ATOM 340 C ASP A 23 -14.703 -1.339 -0.076 1.00 32.45 C ATOM 341 O ASP A 23 -15.426 -1.050 0.879 1.00 63.34 O ATOM 342 CB ASP A 23 -16.018 -1.274 -2.202 1.00 1.42 C ATOM 343 CG ASP A 23 -16.793 -0.259 -3.020 1.00 31.31 C ATOM 344 OD1 ASP A 23 -16.341 0.075 -4.136 1.00 15.33 O ATOM 345 OD2 ASP A 23 -17.850 0.204 -2.543 1.00 44.51 O ATOM 0 H ASP A 23 -13.719 -1.194 -3.085 1.00 42.31 H new ATOM 0 HA ASP A 23 -15.097 0.410 -1.239 1.00 24.45 H new ATOM 0 HB2 ASP A 23 -15.623 -2.044 -2.864 1.00 1.42 H new ATOM 0 HB3 ASP A 23 -16.696 -1.769 -1.506 1.00 1.42 H new ATOM 350 N SER A 24 -13.749 -2.262 -0.006 1.00 10.31 N ATOM 351 CA SER A 24 -13.494 -3.007 1.221 1.00 52.34 C ATOM 352 C SER A 24 -12.577 -2.221 2.153 1.00 62.12 C ATOM 353 O SER A 24 -12.784 -2.192 3.366 1.00 2.42 O ATOM 354 CB SER A 24 -12.867 -4.365 0.897 1.00 31.30 C ATOM 355 OG SER A 24 -13.499 -4.965 -0.220 1.00 51.31 O ATOM 0 H SER A 24 -13.140 -2.512 -0.785 1.00 10.31 H new ATOM 0 HA SER A 24 -14.447 -3.165 1.725 1.00 52.34 H new ATOM 0 HB2 SER A 24 -11.804 -4.239 0.693 1.00 31.30 H new ATOM 0 HB3 SER A 24 -12.949 -5.023 1.762 1.00 31.30 H new ATOM 0 HG SER A 24 -13.192 -5.891 -0.311 1.00 51.31 H new ATOM 361 N MET A 25 -11.563 -1.584 1.577 1.00 53.45 N ATOM 362 CA MET A 25 -10.615 -0.796 2.355 1.00 71.14 C ATOM 363 C MET A 25 -11.248 0.510 2.823 1.00 1.21 C ATOM 364 O MET A 25 -12.438 0.746 2.613 1.00 43.42 O ATOM 365 CB MET A 25 -9.363 -0.500 1.526 1.00 52.15 C ATOM 366 CG MET A 25 -9.530 0.668 0.568 1.00 34.00 C ATOM 367 SD MET A 25 -7.973 1.177 -0.184 1.00 12.31 S ATOM 368 CE MET A 25 -7.561 -0.285 -1.133 1.00 3.43 C ATOM 0 H MET A 25 -11.377 -1.598 0.574 1.00 53.45 H new ATOM 0 HA MET A 25 -10.332 -1.378 3.233 1.00 71.14 H new ATOM 0 HB2 MET A 25 -8.532 -0.290 2.200 1.00 52.15 H new ATOM 0 HB3 MET A 25 -9.095 -1.390 0.957 1.00 52.15 H new ATOM 0 HG2 MET A 25 -10.235 0.392 -0.216 1.00 34.00 H new ATOM 0 HG3 MET A 25 -9.964 1.513 1.103 1.00 34.00 H new ATOM 0 HE1 MET A 25 -6.477 -0.375 -1.210 1.00 3.43 H new ATOM 0 HE2 MET A 25 -7.964 -1.167 -0.636 1.00 3.43 H new ATOM 0 HE3 MET A 25 -7.990 -0.203 -2.132 1.00 3.43 H new ATOM 378 N LYS A 26 -10.447 1.356 3.460 1.00 72.51 N ATOM 379 CA LYS A 26 -10.928 2.640 3.958 1.00 22.03 C ATOM 380 C LYS A 26 -10.076 3.786 3.420 1.00 11.31 C ATOM 381 O LYS A 26 -10.594 4.851 3.082 1.00 52.22 O ATOM 382 CB LYS A 26 -10.914 2.654 5.489 1.00 61.04 C ATOM 383 CG LYS A 26 -12.289 2.836 6.107 1.00 21.51 C ATOM 384 CD LYS A 26 -12.194 3.167 7.587 1.00 24.14 C ATOM 385 CE LYS A 26 -13.510 2.901 8.302 1.00 33.34 C ATOM 386 NZ LYS A 26 -13.444 3.276 9.743 1.00 20.11 N ATOM 0 H LYS A 26 -9.460 1.176 3.644 1.00 72.51 H new ATOM 0 HA LYS A 26 -11.951 2.777 3.609 1.00 22.03 H new ATOM 0 HB2 LYS A 26 -10.484 1.719 5.849 1.00 61.04 H new ATOM 0 HB3 LYS A 26 -10.262 3.458 5.831 1.00 61.04 H new ATOM 0 HG2 LYS A 26 -12.820 3.634 5.588 1.00 21.51 H new ATOM 0 HG3 LYS A 26 -12.873 1.925 5.973 1.00 21.51 H new ATOM 0 HD2 LYS A 26 -11.403 2.572 8.044 1.00 24.14 H new ATOM 0 HD3 LYS A 26 -11.917 4.214 7.710 1.00 24.14 H new ATOM 0 HE2 LYS A 26 -14.307 3.464 7.816 1.00 33.34 H new ATOM 0 HE3 LYS A 26 -13.765 1.845 8.213 1.00 33.34 H new ATOM 0 HZ1 LYS A 26 -14.360 3.080 10.195 1.00 20.11 H new ATOM 0 HZ2 LYS A 26 -12.700 2.721 10.212 1.00 20.11 H new ATOM 0 HZ3 LYS A 26 -13.226 4.289 9.828 1.00 20.11 H new ATOM 400 N TYR A 27 -8.770 3.561 3.343 1.00 54.30 N ATOM 401 CA TYR A 27 -7.847 4.574 2.847 1.00 33.22 C ATOM 402 C TYR A 27 -6.829 3.963 1.889 1.00 30.54 C ATOM 403 O TYR A 27 -6.468 2.792 2.013 1.00 5.31 O ATOM 404 CB TYR A 27 -7.125 5.251 4.013 1.00 12.33 C ATOM 405 CG TYR A 27 -6.680 6.664 3.712 1.00 71.03 C ATOM 406 CD1 TYR A 27 -7.570 7.600 3.202 1.00 5.34 C ATOM 407 CD2 TYR A 27 -5.367 7.063 3.936 1.00 1.33 C ATOM 408 CE1 TYR A 27 -7.168 8.893 2.924 1.00 12.33 C ATOM 409 CE2 TYR A 27 -4.957 8.353 3.663 1.00 31.11 C ATOM 410 CZ TYR A 27 -5.860 9.264 3.157 1.00 3.12 C ATOM 411 OH TYR A 27 -5.455 10.550 2.882 1.00 14.23 O ATOM 0 H TYR A 27 -8.326 2.685 3.618 1.00 54.30 H new ATOM 0 HA TYR A 27 -8.426 5.321 2.304 1.00 33.22 H new ATOM 0 HB2 TYR A 27 -7.786 5.264 4.880 1.00 12.33 H new ATOM 0 HB3 TYR A 27 -6.254 4.655 4.285 1.00 12.33 H new ATOM 0 HD1 TYR A 27 -8.595 7.313 3.019 1.00 5.34 H new ATOM 0 HD2 TYR A 27 -4.656 6.352 4.330 1.00 1.33 H new ATOM 0 HE1 TYR A 27 -7.873 9.608 2.527 1.00 12.33 H new ATOM 0 HE2 TYR A 27 -3.934 8.647 3.845 1.00 31.11 H new ATOM 0 HH TYR A 27 -5.128 10.973 3.703 1.00 14.23 H new ATOM 421 N LEU A 28 -6.368 4.765 0.936 1.00 44.21 N ATOM 422 CA LEU A 28 -5.391 4.304 -0.045 1.00 33.34 C ATOM 423 C LEU A 28 -4.216 5.272 -0.136 1.00 65.45 C ATOM 424 O LEU A 28 -4.399 6.472 -0.344 1.00 3.41 O ATOM 425 CB LEU A 28 -6.049 4.151 -1.417 1.00 63.25 C ATOM 426 CG LEU A 28 -5.099 4.108 -2.615 1.00 54.53 C ATOM 427 CD1 LEU A 28 -3.992 3.091 -2.382 1.00 13.15 C ATOM 428 CD2 LEU A 28 -5.864 3.782 -3.890 1.00 60.33 C ATOM 0 H LEU A 28 -6.655 5.737 0.821 1.00 44.21 H new ATOM 0 HA LEU A 28 -5.015 3.334 0.280 1.00 33.34 H new ATOM 0 HB2 LEU A 28 -6.640 3.235 -1.414 1.00 63.25 H new ATOM 0 HB3 LEU A 28 -6.744 4.979 -1.559 1.00 63.25 H new ATOM 0 HG LEU A 28 -4.643 5.092 -2.729 1.00 54.53 H new ATOM 0 HD11 LEU A 28 -3.326 3.074 -3.245 1.00 13.15 H new ATOM 0 HD12 LEU A 28 -3.426 3.366 -1.492 1.00 13.15 H new ATOM 0 HD13 LEU A 28 -4.430 2.103 -2.242 1.00 13.15 H new ATOM 0 HD21 LEU A 28 -5.173 3.755 -4.732 1.00 60.33 H new ATOM 0 HD22 LEU A 28 -6.347 2.810 -3.786 1.00 60.33 H new ATOM 0 HD23 LEU A 28 -6.621 4.546 -4.066 1.00 60.33 H new ATOM 440 N VAL A 29 -3.007 4.742 0.018 1.00 74.43 N ATOM 441 CA VAL A 29 -1.799 5.559 -0.050 1.00 13.41 C ATOM 442 C VAL A 29 -0.690 4.836 -0.807 1.00 35.12 C ATOM 443 O VAL A 29 -0.276 3.741 -0.426 1.00 45.41 O ATOM 444 CB VAL A 29 -1.290 5.927 1.356 1.00 2.22 C ATOM 445 CG1 VAL A 29 0.000 6.727 1.264 1.00 73.24 C ATOM 446 CG2 VAL A 29 -2.353 6.701 2.120 1.00 22.32 C ATOM 0 H VAL A 29 -2.837 3.751 0.191 1.00 74.43 H new ATOM 0 HA VAL A 29 -2.064 6.473 -0.582 1.00 13.41 H new ATOM 0 HB VAL A 29 -1.080 5.006 1.901 1.00 2.22 H new ATOM 0 HG11 VAL A 29 0.345 6.978 2.267 1.00 73.24 H new ATOM 0 HG12 VAL A 29 0.761 6.134 0.757 1.00 73.24 H new ATOM 0 HG13 VAL A 29 -0.180 7.644 0.702 1.00 73.24 H new ATOM 0 HG21 VAL A 29 -1.977 6.953 3.112 1.00 22.32 H new ATOM 0 HG22 VAL A 29 -2.595 7.616 1.580 1.00 22.32 H new ATOM 0 HG23 VAL A 29 -3.250 6.089 2.217 1.00 22.32 H new ATOM 456 N TYR A 30 -0.213 5.457 -1.880 1.00 71.13 N ATOM 457 CA TYR A 30 0.848 4.873 -2.692 1.00 40.21 C ATOM 458 C TYR A 30 1.642 5.958 -3.413 1.00 13.12 C ATOM 459 O TYR A 30 1.163 7.077 -3.591 1.00 43.51 O ATOM 460 CB TYR A 30 0.260 3.895 -3.710 1.00 13.44 C ATOM 461 CG TYR A 30 -0.254 4.562 -4.965 1.00 22.03 C ATOM 462 CD1 TYR A 30 -1.509 5.157 -4.995 1.00 12.33 C ATOM 463 CD2 TYR A 30 0.516 4.599 -6.120 1.00 64.51 C ATOM 464 CE1 TYR A 30 -1.982 5.768 -6.140 1.00 3.34 C ATOM 465 CE2 TYR A 30 0.051 5.209 -7.270 1.00 74.34 C ATOM 466 CZ TYR A 30 -1.199 5.791 -7.274 1.00 64.14 C ATOM 467 OH TYR A 30 -1.667 6.400 -8.416 1.00 43.44 O ATOM 0 H TYR A 30 -0.544 6.364 -2.208 1.00 71.13 H new ATOM 0 HA TYR A 30 1.524 4.334 -2.028 1.00 40.21 H new ATOM 0 HB2 TYR A 30 1.023 3.166 -3.983 1.00 13.44 H new ATOM 0 HB3 TYR A 30 -0.555 3.343 -3.242 1.00 13.44 H new ATOM 0 HD1 TYR A 30 -2.125 5.142 -4.108 1.00 12.33 H new ATOM 0 HD2 TYR A 30 1.495 4.143 -6.120 1.00 64.51 H new ATOM 0 HE1 TYR A 30 -2.960 6.225 -6.147 1.00 3.34 H new ATOM 0 HE2 TYR A 30 0.663 5.230 -8.160 1.00 74.34 H new ATOM 0 HH TYR A 30 -0.993 6.329 -9.124 1.00 43.44 H new ATOM 477 N GLN A 31 2.859 5.616 -3.826 1.00 33.35 N ATOM 478 CA GLN A 31 3.720 6.560 -4.528 1.00 1.33 C ATOM 479 C GLN A 31 4.589 5.843 -5.556 1.00 31.33 C ATOM 480 O GLN A 31 4.846 4.644 -5.440 1.00 25.20 O ATOM 481 CB GLN A 31 4.603 7.314 -3.533 1.00 74.14 C ATOM 482 CG GLN A 31 5.866 6.559 -3.146 1.00 1.31 C ATOM 483 CD GLN A 31 6.737 7.335 -2.178 1.00 13.11 C ATOM 484 OE1 GLN A 31 7.955 7.406 -2.342 1.00 34.41 O ATOM 485 NE2 GLN A 31 6.115 7.922 -1.162 1.00 61.12 N ATOM 0 H GLN A 31 3.270 4.693 -3.686 1.00 33.35 H new ATOM 0 HA GLN A 31 3.084 7.274 -5.052 1.00 1.33 H new ATOM 0 HB2 GLN A 31 4.882 8.276 -3.964 1.00 74.14 H new ATOM 0 HB3 GLN A 31 4.025 7.524 -2.633 1.00 74.14 H new ATOM 0 HG2 GLN A 31 5.591 5.605 -2.696 1.00 1.31 H new ATOM 0 HG3 GLN A 31 6.440 6.334 -4.045 1.00 1.31 H new ATOM 0 HE21 GLN A 31 5.103 7.837 -1.065 1.00 61.12 H new ATOM 0 HE22 GLN A 31 6.649 8.458 -0.478 1.00 61.12 H new ATOM 494 N THR A 32 5.038 6.585 -6.564 1.00 73.20 N ATOM 495 CA THR A 32 5.877 6.020 -7.613 1.00 2.12 C ATOM 496 C THR A 32 7.356 6.234 -7.311 1.00 14.34 C ATOM 497 O THR A 32 7.753 7.292 -6.826 1.00 44.41 O ATOM 498 CB THR A 32 5.551 6.640 -8.986 1.00 71.22 C ATOM 499 OG1 THR A 32 4.134 6.752 -9.150 1.00 34.13 O ATOM 500 CG2 THR A 32 6.132 5.796 -10.111 1.00 62.14 C ATOM 0 H THR A 32 4.834 7.578 -6.676 1.00 73.20 H new ATOM 0 HA THR A 32 5.667 4.951 -7.644 1.00 2.12 H new ATOM 0 HB THR A 32 6.000 7.633 -9.028 1.00 71.22 H new ATOM 0 HG1 THR A 32 3.810 7.542 -8.668 1.00 34.13 H new ATOM 0 HG21 THR A 32 5.890 6.252 -11.071 1.00 62.14 H new ATOM 0 HG22 THR A 32 7.215 5.738 -10.000 1.00 62.14 H new ATOM 0 HG23 THR A 32 5.708 4.793 -10.069 1.00 62.14 H new ATOM 508 N GLU A 33 8.166 5.219 -7.599 1.00 61.23 N ATOM 509 CA GLU A 33 9.602 5.297 -7.357 1.00 10.01 C ATOM 510 C GLU A 33 10.386 4.823 -8.576 1.00 41.21 C ATOM 511 O GLU A 33 9.860 4.099 -9.422 1.00 23.44 O ATOM 512 CB GLU A 33 9.982 4.458 -6.135 1.00 21.25 C ATOM 513 CG GLU A 33 9.954 5.237 -4.830 1.00 14.42 C ATOM 514 CD GLU A 33 9.777 4.341 -3.619 1.00 51.54 C ATOM 515 OE1 GLU A 33 9.221 3.233 -3.776 1.00 22.32 O ATOM 516 OE2 GLU A 33 10.195 4.747 -2.515 1.00 62.23 O ATOM 0 H GLU A 33 7.853 4.335 -7.999 1.00 61.23 H new ATOM 0 HA GLU A 33 9.856 6.340 -7.166 1.00 10.01 H new ATOM 0 HB2 GLU A 33 9.299 3.612 -6.058 1.00 21.25 H new ATOM 0 HB3 GLU A 33 10.981 4.048 -6.282 1.00 21.25 H new ATOM 0 HG2 GLU A 33 10.881 5.801 -4.728 1.00 14.42 H new ATOM 0 HG3 GLU A 33 9.142 5.963 -4.862 1.00 14.42 H new ATOM 523 N GLN A 34 11.646 5.236 -8.659 1.00 50.34 N ATOM 524 CA GLN A 34 12.504 4.853 -9.776 1.00 1.35 C ATOM 525 C GLN A 34 13.420 3.698 -9.388 1.00 12.31 C ATOM 526 O GLN A 34 14.070 3.732 -8.344 1.00 70.10 O ATOM 527 CB GLN A 34 13.337 6.050 -10.239 1.00 15.51 C ATOM 528 CG GLN A 34 13.198 6.350 -11.723 1.00 34.51 C ATOM 529 CD GLN A 34 14.465 6.052 -12.500 1.00 50.41 C ATOM 530 OE1 GLN A 34 15.315 5.281 -12.051 1.00 64.11 O ATOM 531 NE2 GLN A 34 14.597 6.661 -13.672 1.00 52.05 N ATOM 0 H GLN A 34 12.096 5.835 -7.967 1.00 50.34 H new ATOM 0 HA GLN A 34 11.866 4.525 -10.597 1.00 1.35 H new ATOM 0 HB2 GLN A 34 13.040 6.931 -9.669 1.00 15.51 H new ATOM 0 HB3 GLN A 34 14.386 5.862 -10.011 1.00 15.51 H new ATOM 0 HG2 GLN A 34 12.378 5.761 -12.133 1.00 34.51 H new ATOM 0 HG3 GLN A 34 12.934 7.399 -11.854 1.00 34.51 H new ATOM 0 HE21 GLN A 34 13.867 7.292 -14.004 1.00 52.05 H new ATOM 0 HE22 GLN A 34 15.428 6.498 -14.240 1.00 52.05 H new ATOM 540 N GLY A 35 13.466 2.675 -10.237 1.00 72.25 N ATOM 541 CA GLY A 35 14.307 1.524 -9.964 1.00 0.11 C ATOM 542 C GLY A 35 14.066 0.387 -10.938 1.00 21.24 C ATOM 543 O GLY A 35 13.177 0.466 -11.785 1.00 11.34 O ATOM 0 H GLY A 35 12.937 2.623 -11.107 1.00 72.25 H new ATOM 0 HA2 GLY A 35 15.354 1.823 -10.011 1.00 0.11 H new ATOM 0 HA3 GLY A 35 14.121 1.174 -8.949 1.00 0.11 H new ATOM 547 N GLU A 36 14.861 -0.671 -10.819 1.00 51.33 N ATOM 548 CA GLU A 36 14.731 -1.827 -11.698 1.00 70.21 C ATOM 549 C GLU A 36 14.395 -1.392 -13.122 1.00 73.31 C ATOM 550 O GLU A 36 13.230 -1.365 -13.515 1.00 52.52 O ATOM 551 CB GLU A 36 13.650 -2.775 -11.175 1.00 32.44 C ATOM 552 CG GLU A 36 12.370 -2.068 -10.761 1.00 0.53 C ATOM 553 CD GLU A 36 11.300 -3.031 -10.284 1.00 41.14 C ATOM 554 OE1 GLU A 36 11.123 -4.086 -10.929 1.00 13.32 O ATOM 555 OE2 GLU A 36 10.641 -2.731 -9.267 1.00 41.24 O ATOM 0 H GLU A 36 15.602 -0.752 -10.123 1.00 51.33 H new ATOM 0 HA GLU A 36 15.687 -2.350 -11.711 1.00 70.21 H new ATOM 0 HB2 GLU A 36 13.417 -3.508 -11.947 1.00 32.44 H new ATOM 0 HB3 GLU A 36 14.044 -3.326 -10.321 1.00 32.44 H new ATOM 0 HG2 GLU A 36 12.593 -1.356 -9.966 1.00 0.53 H new ATOM 0 HG3 GLU A 36 11.987 -1.494 -11.605 1.00 0.53 H new ATOM 562 N ALA A 37 15.426 -1.053 -13.889 1.00 22.42 N ATOM 563 CA ALA A 37 15.241 -0.621 -15.269 1.00 62.30 C ATOM 564 C ALA A 37 14.462 0.688 -15.336 1.00 12.53 C ATOM 565 O ALA A 37 13.953 1.170 -14.324 1.00 44.20 O ATOM 566 CB ALA A 37 14.532 -1.702 -16.070 1.00 13.34 C ATOM 0 H ALA A 37 16.397 -1.069 -13.578 1.00 22.42 H new ATOM 0 HA ALA A 37 16.225 -0.449 -15.704 1.00 62.30 H new ATOM 0 HB1 ALA A 37 14.401 -1.366 -17.098 1.00 13.34 H new ATOM 0 HB2 ALA A 37 15.130 -2.613 -16.060 1.00 13.34 H new ATOM 0 HB3 ALA A 37 13.557 -1.903 -15.627 1.00 13.34 H new ATOM 572 N GLY A 38 14.372 1.258 -16.533 1.00 11.33 N ATOM 573 CA GLY A 38 13.653 2.506 -16.708 1.00 1.10 C ATOM 574 C GLY A 38 12.251 2.453 -16.134 1.00 31.41 C ATOM 575 O GLY A 38 11.696 3.478 -15.738 1.00 44.14 O ATOM 0 H GLY A 38 14.784 0.878 -17.385 1.00 11.33 H new ATOM 0 HA2 GLY A 38 14.208 3.312 -16.228 1.00 1.10 H new ATOM 0 HA3 GLY A 38 13.599 2.745 -17.770 1.00 1.10 H new ATOM 579 N ASN A 39 11.677 1.256 -16.088 1.00 4.22 N ATOM 580 CA ASN A 39 10.329 1.074 -15.559 1.00 11.31 C ATOM 581 C ASN A 39 10.210 1.669 -14.160 1.00 1.24 C ATOM 582 O ASN A 39 11.203 2.088 -13.565 1.00 20.11 O ATOM 583 CB ASN A 39 9.968 -0.413 -15.527 1.00 73.44 C ATOM 584 CG ASN A 39 10.302 -1.117 -16.827 1.00 72.24 C ATOM 585 OD1 ASN A 39 9.807 -0.747 -17.892 1.00 2.53 O ATOM 586 ND2 ASN A 39 11.147 -2.139 -16.747 1.00 14.20 N ATOM 0 H ASN A 39 12.123 0.397 -16.410 1.00 4.22 H new ATOM 0 HA ASN A 39 9.633 1.595 -16.216 1.00 11.31 H new ATOM 0 HB2 ASN A 39 10.501 -0.896 -14.708 1.00 73.44 H new ATOM 0 HB3 ASN A 39 8.903 -0.521 -15.322 1.00 73.44 H new ATOM 0 HD21 ASN A 39 11.409 -2.651 -17.589 1.00 14.20 H new ATOM 0 HD22 ASN A 39 11.533 -2.412 -15.843 1.00 14.20 H new ATOM 593 N ILE A 40 8.987 1.700 -13.639 1.00 3.01 N ATOM 594 CA ILE A 40 8.738 2.242 -12.309 1.00 0.13 C ATOM 595 C ILE A 40 7.997 1.236 -11.435 1.00 43.34 C ATOM 596 O ILE A 40 7.467 0.240 -11.930 1.00 13.31 O ATOM 597 CB ILE A 40 7.920 3.546 -12.376 1.00 74.33 C ATOM 598 CG1 ILE A 40 6.997 3.532 -13.596 1.00 21.34 C ATOM 599 CG2 ILE A 40 8.849 4.750 -12.421 1.00 24.15 C ATOM 600 CD1 ILE A 40 6.077 4.730 -13.671 1.00 22.32 C ATOM 0 H ILE A 40 8.154 1.356 -14.118 1.00 3.01 H new ATOM 0 HA ILE A 40 9.712 2.455 -11.868 1.00 0.13 H new ATOM 0 HB ILE A 40 7.304 3.619 -11.480 1.00 74.33 H new ATOM 0 HG12 ILE A 40 7.604 3.493 -14.500 1.00 21.34 H new ATOM 0 HG13 ILE A 40 6.396 2.623 -13.576 1.00 21.34 H new ATOM 0 HG21 ILE A 40 8.258 5.664 -12.468 1.00 24.15 H new ATOM 0 HG22 ILE A 40 9.469 4.765 -11.525 1.00 24.15 H new ATOM 0 HG23 ILE A 40 9.487 4.685 -13.302 1.00 24.15 H new ATOM 0 HD11 ILE A 40 5.452 4.653 -14.561 1.00 22.32 H new ATOM 0 HD12 ILE A 40 5.444 4.759 -12.784 1.00 22.32 H new ATOM 0 HD13 ILE A 40 6.671 5.642 -13.723 1.00 22.32 H new ATOM 612 N HIS A 41 7.962 1.503 -10.134 1.00 53.13 N ATOM 613 CA HIS A 41 7.284 0.620 -9.190 1.00 65.22 C ATOM 614 C HIS A 41 6.474 1.427 -8.180 1.00 34.21 C ATOM 615 O HIS A 41 6.796 2.579 -7.889 1.00 55.13 O ATOM 616 CB HIS A 41 8.299 -0.261 -8.462 1.00 63.11 C ATOM 617 CG HIS A 41 9.567 0.454 -8.108 1.00 20.41 C ATOM 618 ND1 HIS A 41 10.799 -0.165 -8.085 1.00 43.33 N ATOM 619 CD2 HIS A 41 9.789 1.744 -7.762 1.00 31.13 C ATOM 620 CE1 HIS A 41 11.724 0.712 -7.739 1.00 60.31 C ATOM 621 NE2 HIS A 41 11.137 1.879 -7.538 1.00 74.31 N ATOM 0 H HIS A 41 8.395 2.323 -9.709 1.00 53.13 H new ATOM 0 HA HIS A 41 6.601 -0.017 -9.752 1.00 65.22 H new ATOM 0 HB2 HIS A 41 7.844 -0.649 -7.551 1.00 63.11 H new ATOM 0 HB3 HIS A 41 8.539 -1.120 -9.089 1.00 63.11 H new ATOM 0 HD1 HIS A 41 10.969 -1.147 -8.301 1.00 43.33 H new ATOM 0 HD2 HIS A 41 9.045 2.522 -7.678 1.00 31.13 H new ATOM 0 HE1 HIS A 41 12.780 0.510 -7.638 1.00 60.31 H new ATOM 629 N PHE A 42 5.422 0.813 -7.647 1.00 72.51 N ATOM 630 CA PHE A 42 4.566 1.475 -6.669 1.00 55.13 C ATOM 631 C PHE A 42 4.872 0.982 -5.258 1.00 31.43 C ATOM 632 O PHE A 42 5.058 -0.212 -5.033 1.00 52.42 O ATOM 633 CB PHE A 42 3.093 1.226 -7.000 1.00 11.02 C ATOM 634 CG PHE A 42 2.667 1.809 -8.316 1.00 50.21 C ATOM 635 CD1 PHE A 42 3.214 2.998 -8.772 1.00 40.11 C ATOM 636 CD2 PHE A 42 1.720 1.169 -9.099 1.00 60.31 C ATOM 637 CE1 PHE A 42 2.825 3.537 -9.983 1.00 43.22 C ATOM 638 CE2 PHE A 42 1.328 1.703 -10.312 1.00 22.22 C ATOM 639 CZ PHE A 42 1.879 2.889 -10.754 1.00 72.32 C ATOM 0 H PHE A 42 5.142 -0.141 -7.876 1.00 72.51 H new ATOM 0 HA PHE A 42 4.766 2.546 -6.712 1.00 55.13 H new ATOM 0 HB2 PHE A 42 2.908 0.152 -7.011 1.00 11.02 H new ATOM 0 HB3 PHE A 42 2.475 1.648 -6.208 1.00 11.02 H new ATOM 0 HD1 PHE A 42 3.953 3.509 -8.173 1.00 40.11 H new ATOM 0 HD2 PHE A 42 1.283 0.242 -8.758 1.00 60.31 H new ATOM 0 HE1 PHE A 42 3.260 4.464 -10.327 1.00 43.22 H new ATOM 0 HE2 PHE A 42 0.591 1.193 -10.914 1.00 22.22 H new ATOM 0 HZ PHE A 42 1.571 3.309 -11.700 1.00 72.32 H new ATOM 649 N GLN A 43 4.923 1.915 -4.311 1.00 15.01 N ATOM 650 CA GLN A 43 5.208 1.576 -2.921 1.00 42.32 C ATOM 651 C GLN A 43 4.424 2.476 -1.971 1.00 75.14 C ATOM 652 O GLN A 43 4.425 3.697 -2.114 1.00 24.22 O ATOM 653 CB GLN A 43 6.707 1.700 -2.641 1.00 64.20 C ATOM 654 CG GLN A 43 7.419 0.362 -2.539 1.00 73.04 C ATOM 655 CD GLN A 43 8.778 0.371 -3.211 1.00 43.21 C ATOM 656 OE1 GLN A 43 9.813 0.293 -2.547 1.00 2.44 O ATOM 657 NE2 GLN A 43 8.783 0.467 -4.536 1.00 54.12 N ATOM 0 H GLN A 43 4.771 2.909 -4.481 1.00 15.01 H new ATOM 0 HA GLN A 43 4.899 0.544 -2.753 1.00 42.32 H new ATOM 0 HB2 GLN A 43 7.169 2.288 -3.434 1.00 64.20 H new ATOM 0 HB3 GLN A 43 6.850 2.250 -1.711 1.00 64.20 H new ATOM 0 HG2 GLN A 43 7.539 0.098 -1.488 1.00 73.04 H new ATOM 0 HG3 GLN A 43 6.799 -0.411 -2.993 1.00 73.04 H new ATOM 0 HE21 GLN A 43 7.902 0.529 -5.046 1.00 54.12 H new ATOM 0 HE22 GLN A 43 9.668 0.478 -5.043 1.00 54.12 H new ATOM 666 N GLY A 44 3.757 1.861 -0.999 1.00 75.30 N ATOM 667 CA GLY A 44 2.978 2.621 -0.039 1.00 65.31 C ATOM 668 C GLY A 44 2.267 1.735 0.965 1.00 51.04 C ATOM 669 O GLY A 44 2.535 0.535 1.041 1.00 40.11 O ATOM 0 H GLY A 44 3.742 0.851 -0.859 1.00 75.30 H new ATOM 0 HA2 GLY A 44 3.634 3.311 0.491 1.00 65.31 H new ATOM 0 HA3 GLY A 44 2.243 3.225 -0.570 1.00 65.31 H new ATOM 673 N TYR A 45 1.362 2.325 1.737 1.00 70.03 N ATOM 674 CA TYR A 45 0.615 1.580 2.743 1.00 31.43 C ATOM 675 C TYR A 45 -0.884 1.639 2.462 1.00 32.13 C ATOM 676 O TYR A 45 -1.410 2.675 2.054 1.00 21.03 O ATOM 677 CB TYR A 45 0.905 2.136 4.139 1.00 44.34 C ATOM 678 CG TYR A 45 0.836 3.644 4.217 1.00 52.31 C ATOM 679 CD1 TYR A 45 1.959 4.425 3.970 1.00 15.03 C ATOM 680 CD2 TYR A 45 -0.353 4.288 4.536 1.00 65.52 C ATOM 681 CE1 TYR A 45 1.901 5.803 4.042 1.00 2.44 C ATOM 682 CE2 TYR A 45 -0.421 5.666 4.608 1.00 63.52 C ATOM 683 CZ TYR A 45 0.709 6.419 4.361 1.00 10.32 C ATOM 684 OH TYR A 45 0.646 7.792 4.431 1.00 5.23 O ATOM 0 H TYR A 45 1.128 3.316 1.686 1.00 70.03 H new ATOM 0 HA TYR A 45 0.935 0.539 2.700 1.00 31.43 H new ATOM 0 HB2 TYR A 45 0.192 1.711 4.845 1.00 44.34 H new ATOM 0 HB3 TYR A 45 1.897 1.809 4.452 1.00 44.34 H new ATOM 0 HD1 TYR A 45 2.893 3.946 3.717 1.00 15.03 H new ATOM 0 HD2 TYR A 45 -1.239 3.702 4.731 1.00 65.52 H new ATOM 0 HE1 TYR A 45 2.784 6.395 3.850 1.00 2.44 H new ATOM 0 HE2 TYR A 45 -1.353 6.151 4.856 1.00 63.52 H new ATOM 0 HH TYR A 45 -0.265 8.066 4.666 1.00 5.23 H new ATOM 694 N ILE A 46 -1.565 0.521 2.684 1.00 13.34 N ATOM 695 CA ILE A 46 -3.003 0.443 2.457 1.00 22.43 C ATOM 696 C ILE A 46 -3.716 -0.173 3.655 1.00 51.41 C ATOM 697 O ILE A 46 -3.350 -1.252 4.120 1.00 61.32 O ATOM 698 CB ILE A 46 -3.331 -0.381 1.198 1.00 31.32 C ATOM 699 CG1 ILE A 46 -2.549 0.152 -0.005 1.00 1.43 C ATOM 700 CG2 ILE A 46 -4.826 -0.350 0.920 1.00 10.44 C ATOM 701 CD1 ILE A 46 -2.714 -0.687 -1.252 1.00 72.13 C ATOM 0 H ILE A 46 -1.144 -0.345 3.021 1.00 13.34 H new ATOM 0 HA ILE A 46 -3.355 1.464 2.314 1.00 22.43 H new ATOM 0 HB ILE A 46 -3.034 -1.415 1.371 1.00 31.32 H new ATOM 0 HG12 ILE A 46 -2.874 1.171 -0.217 1.00 1.43 H new ATOM 0 HG13 ILE A 46 -1.491 0.202 0.253 1.00 1.43 H new ATOM 0 HG21 ILE A 46 -5.042 -0.937 0.027 1.00 10.44 H new ATOM 0 HG22 ILE A 46 -5.363 -0.771 1.770 1.00 10.44 H new ATOM 0 HG23 ILE A 46 -5.146 0.680 0.763 1.00 10.44 H new ATOM 0 HD11 ILE A 46 -2.132 -0.250 -2.064 1.00 72.13 H new ATOM 0 HD12 ILE A 46 -2.362 -1.700 -1.058 1.00 72.13 H new ATOM 0 HD13 ILE A 46 -3.766 -0.716 -1.534 1.00 72.13 H new ATOM 713 N GLU A 47 -4.739 0.519 4.148 1.00 54.01 N ATOM 714 CA GLU A 47 -5.504 0.038 5.293 1.00 51.51 C ATOM 715 C GLU A 47 -6.846 -0.538 4.846 1.00 73.41 C ATOM 716 O GLU A 47 -7.677 0.168 4.276 1.00 34.41 O ATOM 717 CB GLU A 47 -5.732 1.170 6.295 1.00 41.00 C ATOM 718 CG GLU A 47 -4.491 2.004 6.563 1.00 71.21 C ATOM 719 CD GLU A 47 -4.268 2.261 8.041 1.00 60.21 C ATOM 720 OE1 GLU A 47 -4.156 1.279 8.805 1.00 41.33 O ATOM 721 OE2 GLU A 47 -4.207 3.445 8.434 1.00 33.24 O ATOM 0 H GLU A 47 -5.057 1.413 3.773 1.00 54.01 H new ATOM 0 HA GLU A 47 -4.929 -0.753 5.775 1.00 51.51 H new ATOM 0 HB2 GLU A 47 -6.523 1.820 5.922 1.00 41.00 H new ATOM 0 HB3 GLU A 47 -6.085 0.746 7.235 1.00 41.00 H new ATOM 0 HG2 GLU A 47 -3.620 1.495 6.151 1.00 71.21 H new ATOM 0 HG3 GLU A 47 -4.579 2.957 6.042 1.00 71.21 H new ATOM 728 N MET A 48 -7.047 -1.826 5.109 1.00 2.13 N ATOM 729 CA MET A 48 -8.286 -2.496 4.734 1.00 11.23 C ATOM 730 C MET A 48 -9.390 -2.205 5.747 1.00 60.40 C ATOM 731 O MET A 48 -9.179 -1.477 6.717 1.00 25.34 O ATOM 732 CB MET A 48 -8.062 -4.006 4.627 1.00 14.15 C ATOM 733 CG MET A 48 -7.230 -4.414 3.423 1.00 64.44 C ATOM 734 SD MET A 48 -8.193 -5.296 2.180 1.00 63.15 S ATOM 735 CE MET A 48 -8.781 -3.933 1.178 1.00 42.32 C ATOM 0 H MET A 48 -6.369 -2.425 5.580 1.00 2.13 H new ATOM 0 HA MET A 48 -8.598 -2.112 3.763 1.00 11.23 H new ATOM 0 HB2 MET A 48 -7.570 -4.357 5.534 1.00 14.15 H new ATOM 0 HB3 MET A 48 -9.029 -4.506 4.576 1.00 14.15 H new ATOM 0 HG2 MET A 48 -6.790 -3.525 2.972 1.00 64.44 H new ATOM 0 HG3 MET A 48 -6.405 -5.045 3.753 1.00 64.44 H new ATOM 0 HE1 MET A 48 -8.709 -4.199 0.123 1.00 42.32 H new ATOM 0 HE2 MET A 48 -9.820 -3.720 1.428 1.00 42.32 H new ATOM 0 HE3 MET A 48 -8.172 -3.050 1.372 1.00 42.32 H new ATOM 745 N LYS A 49 -10.566 -2.777 5.515 1.00 50.42 N ATOM 746 CA LYS A 49 -11.703 -2.579 6.407 1.00 71.14 C ATOM 747 C LYS A 49 -11.328 -2.914 7.847 1.00 20.35 C ATOM 748 O LYS A 49 -11.403 -2.061 8.732 1.00 73.43 O ATOM 749 CB LYS A 49 -12.883 -3.446 5.961 1.00 25.23 C ATOM 750 CG LYS A 49 -14.204 -2.698 5.919 1.00 34.43 C ATOM 751 CD LYS A 49 -15.167 -3.324 4.925 1.00 1.33 C ATOM 752 CE LYS A 49 -15.693 -4.662 5.424 1.00 61.33 C ATOM 753 NZ LYS A 49 -16.583 -4.501 6.607 1.00 15.12 N ATOM 0 H LYS A 49 -10.757 -3.382 4.716 1.00 50.42 H new ATOM 0 HA LYS A 49 -11.993 -1.529 6.360 1.00 71.14 H new ATOM 0 HB2 LYS A 49 -12.672 -3.851 4.971 1.00 25.23 H new ATOM 0 HB3 LYS A 49 -12.977 -4.294 6.639 1.00 25.23 H new ATOM 0 HG2 LYS A 49 -14.654 -2.697 6.912 1.00 34.43 H new ATOM 0 HG3 LYS A 49 -14.026 -1.657 5.648 1.00 34.43 H new ATOM 0 HD2 LYS A 49 -16.002 -2.646 4.750 1.00 1.33 H new ATOM 0 HD3 LYS A 49 -14.664 -3.464 3.968 1.00 1.33 H new ATOM 0 HE2 LYS A 49 -16.240 -5.159 4.623 1.00 61.33 H new ATOM 0 HE3 LYS A 49 -14.854 -5.307 5.685 1.00 61.33 H new ATOM 0 HZ1 LYS A 49 -17.129 -5.374 6.752 1.00 15.12 H new ATOM 0 HZ2 LYS A 49 -16.007 -4.309 7.451 1.00 15.12 H new ATOM 0 HZ3 LYS A 49 -17.235 -3.707 6.445 1.00 15.12 H new ATOM 767 N LYS A 50 -10.925 -4.159 8.075 1.00 31.21 N ATOM 768 CA LYS A 50 -10.536 -4.605 9.408 1.00 51.42 C ATOM 769 C LYS A 50 -10.135 -6.077 9.393 1.00 62.03 C ATOM 770 O LYS A 50 -8.952 -6.409 9.472 1.00 25.11 O ATOM 771 CB LYS A 50 -11.685 -4.389 10.396 1.00 33.31 C ATOM 772 CG LYS A 50 -11.393 -3.328 11.444 1.00 1.01 C ATOM 773 CD LYS A 50 -12.646 -2.946 12.214 1.00 72.03 C ATOM 774 CE LYS A 50 -12.663 -1.462 12.550 1.00 44.22 C ATOM 775 NZ LYS A 50 -14.031 -0.989 12.900 1.00 4.12 N ATOM 0 H LYS A 50 -10.859 -4.878 7.354 1.00 31.21 H new ATOM 0 HA LYS A 50 -9.676 -4.015 9.725 1.00 51.42 H new ATOM 0 HB2 LYS A 50 -12.580 -4.105 9.843 1.00 33.31 H new ATOM 0 HB3 LYS A 50 -11.905 -5.332 10.897 1.00 33.31 H new ATOM 0 HG2 LYS A 50 -10.637 -3.698 12.137 1.00 1.01 H new ATOM 0 HG3 LYS A 50 -10.977 -2.443 10.962 1.00 1.01 H new ATOM 0 HD2 LYS A 50 -13.528 -3.197 11.624 1.00 72.03 H new ATOM 0 HD3 LYS A 50 -12.701 -3.529 13.133 1.00 72.03 H new ATOM 0 HE2 LYS A 50 -11.988 -1.271 13.384 1.00 44.22 H new ATOM 0 HE3 LYS A 50 -12.288 -0.893 11.699 1.00 44.22 H new ATOM 0 HZ1 LYS A 50 -14.001 0.026 13.122 1.00 4.12 H new ATOM 0 HZ2 LYS A 50 -14.670 -1.148 12.095 1.00 4.12 H new ATOM 0 HZ3 LYS A 50 -14.379 -1.514 13.727 1.00 4.12 H new ATOM 789 N ARG A 51 -11.128 -6.955 9.291 1.00 61.03 N ATOM 790 CA ARG A 51 -10.878 -8.391 9.265 1.00 11.10 C ATOM 791 C ARG A 51 -10.662 -8.880 7.836 1.00 22.11 C ATOM 792 O ARG A 51 -11.262 -9.867 7.408 1.00 51.21 O ATOM 793 CB ARG A 51 -12.046 -9.145 9.902 1.00 13.14 C ATOM 794 CG ARG A 51 -11.660 -10.504 10.465 1.00 62.30 C ATOM 795 CD ARG A 51 -12.607 -10.937 11.573 1.00 73.31 C ATOM 796 NE ARG A 51 -11.929 -11.736 12.591 1.00 21.42 N ATOM 797 CZ ARG A 51 -12.568 -12.445 13.515 1.00 71.10 C ATOM 798 NH1 ARG A 51 -13.894 -12.455 13.548 1.00 61.34 N ATOM 799 NH2 ARG A 51 -11.881 -13.146 14.408 1.00 42.23 N ATOM 0 H ARG A 51 -12.113 -6.697 9.225 1.00 61.03 H new ATOM 0 HA ARG A 51 -9.972 -8.587 9.838 1.00 11.10 H new ATOM 0 HB2 ARG A 51 -12.467 -8.536 10.702 1.00 13.14 H new ATOM 0 HB3 ARG A 51 -12.830 -9.279 9.157 1.00 13.14 H new ATOM 0 HG2 ARG A 51 -11.669 -11.246 9.666 1.00 62.30 H new ATOM 0 HG3 ARG A 51 -10.641 -10.463 10.851 1.00 62.30 H new ATOM 0 HD2 ARG A 51 -13.048 -10.055 12.038 1.00 73.31 H new ATOM 0 HD3 ARG A 51 -13.426 -11.515 11.145 1.00 73.31 H new ATOM 0 HE ARG A 51 -10.909 -11.750 12.592 1.00 21.42 H new ATOM 0 HH11 ARG A 51 -14.425 -11.918 12.863 1.00 61.34 H new ATOM 0 HH12 ARG A 51 -14.382 -13.000 14.258 1.00 61.34 H new ATOM 0 HH21 ARG A 51 -10.861 -13.141 14.385 1.00 42.23 H new ATOM 0 HH22 ARG A 51 -12.373 -13.690 15.117 1.00 42.23 H new ATOM 813 N THR A 52 -9.803 -8.182 7.100 1.00 40.30 N ATOM 814 CA THR A 52 -9.509 -8.544 5.719 1.00 62.23 C ATOM 815 C THR A 52 -8.087 -9.074 5.579 1.00 53.41 C ATOM 816 O THR A 52 -7.119 -8.349 5.808 1.00 44.42 O ATOM 817 CB THR A 52 -9.692 -7.342 4.772 1.00 21.43 C ATOM 818 OG1 THR A 52 -10.657 -6.434 5.315 1.00 61.50 O ATOM 819 CG2 THR A 52 -10.140 -7.802 3.393 1.00 61.53 C ATOM 0 H THR A 52 -9.298 -7.362 7.438 1.00 40.30 H new ATOM 0 HA THR A 52 -10.214 -9.327 5.441 1.00 62.23 H new ATOM 0 HB THR A 52 -8.732 -6.835 4.674 1.00 21.43 H new ATOM 0 HG1 THR A 52 -10.885 -5.759 4.643 1.00 61.50 H new ATOM 0 HG21 THR A 52 -10.262 -6.936 2.743 1.00 61.53 H new ATOM 0 HG22 THR A 52 -9.389 -8.470 2.971 1.00 61.53 H new ATOM 0 HG23 THR A 52 -11.090 -8.330 3.476 1.00 61.53 H new ATOM 827 N SER A 53 -7.968 -10.344 5.202 1.00 31.31 N ATOM 828 CA SER A 53 -6.663 -10.972 5.036 1.00 71.12 C ATOM 829 C SER A 53 -6.007 -10.523 3.734 1.00 72.04 C ATOM 830 O SER A 53 -6.575 -9.734 2.978 1.00 51.52 O ATOM 831 CB SER A 53 -6.801 -12.495 5.052 1.00 54.43 C ATOM 832 OG SER A 53 -8.010 -12.904 4.436 1.00 44.34 O ATOM 0 H SER A 53 -8.759 -10.957 5.006 1.00 31.31 H new ATOM 0 HA SER A 53 -6.030 -10.663 5.868 1.00 71.12 H new ATOM 0 HB2 SER A 53 -5.955 -12.945 4.534 1.00 54.43 H new ATOM 0 HB3 SER A 53 -6.773 -12.855 6.080 1.00 54.43 H new ATOM 0 HG SER A 53 -8.074 -13.882 4.457 1.00 44.34 H new ATOM 838 N LEU A 54 -4.806 -11.031 3.478 1.00 74.02 N ATOM 839 CA LEU A 54 -4.069 -10.684 2.268 1.00 11.31 C ATOM 840 C LEU A 54 -4.929 -10.903 1.026 1.00 34.20 C ATOM 841 O LEU A 54 -4.768 -10.215 0.019 1.00 3.34 O ATOM 842 CB LEU A 54 -2.790 -11.517 2.170 1.00 64.24 C ATOM 843 CG LEU A 54 -1.879 -11.209 0.979 1.00 33.44 C ATOM 844 CD1 LEU A 54 -1.516 -9.732 0.954 1.00 42.04 C ATOM 845 CD2 LEU A 54 -0.624 -12.068 1.033 1.00 42.55 C ATOM 0 H LEU A 54 -4.322 -11.685 4.093 1.00 74.02 H new ATOM 0 HA LEU A 54 -3.804 -9.628 2.323 1.00 11.31 H new ATOM 0 HB2 LEU A 54 -2.217 -11.376 3.086 1.00 64.24 H new ATOM 0 HB3 LEU A 54 -3.068 -12.570 2.127 1.00 64.24 H new ATOM 0 HG LEU A 54 -2.418 -11.445 0.061 1.00 33.44 H new ATOM 0 HD11 LEU A 54 -0.868 -9.531 0.101 1.00 42.04 H new ATOM 0 HD12 LEU A 54 -2.424 -9.136 0.868 1.00 42.04 H new ATOM 0 HD13 LEU A 54 -0.995 -9.470 1.875 1.00 42.04 H new ATOM 0 HD21 LEU A 54 0.013 -11.836 0.179 1.00 42.55 H new ATOM 0 HD22 LEU A 54 -0.082 -11.862 1.956 1.00 42.55 H new ATOM 0 HD23 LEU A 54 -0.903 -13.121 1.003 1.00 42.55 H new ATOM 857 N ALA A 55 -5.843 -11.865 1.108 1.00 61.33 N ATOM 858 CA ALA A 55 -6.730 -12.172 -0.008 1.00 31.52 C ATOM 859 C ALA A 55 -7.464 -10.923 -0.483 1.00 23.14 C ATOM 860 O ALA A 55 -7.767 -10.782 -1.668 1.00 74.44 O ATOM 861 CB ALA A 55 -7.724 -13.252 0.391 1.00 21.25 C ATOM 0 H ALA A 55 -5.988 -12.444 1.935 1.00 61.33 H new ATOM 0 HA ALA A 55 -6.122 -12.541 -0.834 1.00 31.52 H new ATOM 0 HB1 ALA A 55 -8.380 -13.472 -0.451 1.00 21.25 H new ATOM 0 HB2 ALA A 55 -7.185 -14.155 0.676 1.00 21.25 H new ATOM 0 HB3 ALA A 55 -8.320 -12.904 1.234 1.00 21.25 H new ATOM 867 N GLY A 56 -7.750 -10.018 0.449 1.00 45.31 N ATOM 868 CA GLY A 56 -8.448 -8.794 0.104 1.00 11.15 C ATOM 869 C GLY A 56 -7.589 -7.846 -0.709 1.00 30.52 C ATOM 870 O GLY A 56 -8.040 -7.296 -1.713 1.00 24.42 O ATOM 0 H GLY A 56 -7.511 -10.111 1.436 1.00 45.31 H new ATOM 0 HA2 GLY A 56 -9.347 -9.039 -0.461 1.00 11.15 H new ATOM 0 HA3 GLY A 56 -8.771 -8.294 1.017 1.00 11.15 H new ATOM 874 N MET A 57 -6.349 -7.653 -0.273 1.00 23.30 N ATOM 875 CA MET A 57 -5.425 -6.764 -0.968 1.00 61.33 C ATOM 876 C MET A 57 -4.960 -7.382 -2.283 1.00 2.01 C ATOM 877 O MET A 57 -4.980 -6.732 -3.328 1.00 23.01 O ATOM 878 CB MET A 57 -4.218 -6.454 -0.082 1.00 74.53 C ATOM 879 CG MET A 57 -4.581 -5.759 1.220 1.00 24.23 C ATOM 880 SD MET A 57 -4.428 -3.965 1.117 1.00 44.54 S ATOM 881 CE MET A 57 -5.810 -3.568 0.049 1.00 53.51 C ATOM 0 H MET A 57 -5.961 -8.100 0.558 1.00 23.30 H new ATOM 0 HA MET A 57 -5.952 -5.836 -1.190 1.00 61.33 H new ATOM 0 HB2 MET A 57 -3.696 -7.384 0.145 1.00 74.53 H new ATOM 0 HB3 MET A 57 -3.522 -5.826 -0.638 1.00 74.53 H new ATOM 0 HG2 MET A 57 -5.604 -6.017 1.492 1.00 24.23 H new ATOM 0 HG3 MET A 57 -3.936 -6.129 2.017 1.00 24.23 H new ATOM 0 HE1 MET A 57 -6.318 -2.680 0.426 1.00 53.51 H new ATOM 0 HE2 MET A 57 -5.446 -3.377 -0.961 1.00 53.51 H new ATOM 0 HE3 MET A 57 -6.508 -4.405 0.031 1.00 53.51 H new ATOM 891 N LYS A 58 -4.542 -8.642 -2.223 1.00 71.44 N ATOM 892 CA LYS A 58 -4.073 -9.349 -3.408 1.00 51.23 C ATOM 893 C LYS A 58 -5.143 -9.360 -4.495 1.00 75.03 C ATOM 894 O LYS A 58 -4.833 -9.405 -5.686 1.00 14.43 O ATOM 895 CB LYS A 58 -3.681 -10.784 -3.049 1.00 12.52 C ATOM 896 CG LYS A 58 -2.448 -11.281 -3.784 1.00 21.31 C ATOM 897 CD LYS A 58 -2.093 -12.702 -3.381 1.00 62.32 C ATOM 898 CE LYS A 58 -1.515 -12.755 -1.975 1.00 24.40 C ATOM 899 NZ LYS A 58 -0.515 -13.849 -1.827 1.00 24.30 N ATOM 0 H LYS A 58 -4.519 -9.194 -1.366 1.00 71.44 H new ATOM 0 HA LYS A 58 -3.198 -8.824 -3.790 1.00 51.23 H new ATOM 0 HB2 LYS A 58 -3.503 -10.845 -1.975 1.00 12.52 H new ATOM 0 HB3 LYS A 58 -4.518 -11.446 -3.271 1.00 12.52 H new ATOM 0 HG2 LYS A 58 -2.623 -11.240 -4.859 1.00 21.31 H new ATOM 0 HG3 LYS A 58 -1.607 -10.621 -3.573 1.00 21.31 H new ATOM 0 HD2 LYS A 58 -2.983 -13.329 -3.434 1.00 62.32 H new ATOM 0 HD3 LYS A 58 -1.372 -13.112 -4.088 1.00 62.32 H new ATOM 0 HE2 LYS A 58 -1.046 -11.800 -1.739 1.00 24.40 H new ATOM 0 HE3 LYS A 58 -2.321 -12.900 -1.256 1.00 24.40 H new ATOM 0 HZ1 LYS A 58 -0.496 -14.170 -0.838 1.00 24.30 H new ATOM 0 HZ2 LYS A 58 -0.776 -14.644 -2.444 1.00 24.30 H new ATOM 0 HZ3 LYS A 58 0.426 -13.497 -2.095 1.00 24.30 H new ATOM 913 N LYS A 59 -6.403 -9.318 -4.078 1.00 22.34 N ATOM 914 CA LYS A 59 -7.521 -9.320 -5.014 1.00 4.31 C ATOM 915 C LYS A 59 -7.456 -8.110 -5.941 1.00 72.33 C ATOM 916 O LYS A 59 -7.866 -8.181 -7.101 1.00 70.54 O ATOM 917 CB LYS A 59 -8.849 -9.323 -4.255 1.00 0.51 C ATOM 918 CG LYS A 59 -9.711 -10.541 -4.542 1.00 44.05 C ATOM 919 CD LYS A 59 -11.016 -10.497 -3.767 1.00 31.34 C ATOM 920 CE LYS A 59 -11.748 -11.828 -3.829 1.00 41.41 C ATOM 921 NZ LYS A 59 -13.225 -11.654 -3.744 1.00 52.31 N ATOM 0 H LYS A 59 -6.676 -9.282 -3.096 1.00 22.34 H new ATOM 0 HA LYS A 59 -7.454 -10.224 -5.619 1.00 4.31 H new ATOM 0 HB2 LYS A 59 -8.646 -9.276 -3.185 1.00 0.51 H new ATOM 0 HB3 LYS A 59 -9.408 -8.424 -4.514 1.00 0.51 H new ATOM 0 HG2 LYS A 59 -9.923 -10.594 -5.610 1.00 44.05 H new ATOM 0 HG3 LYS A 59 -9.162 -11.446 -4.281 1.00 44.05 H new ATOM 0 HD2 LYS A 59 -10.814 -10.240 -2.727 1.00 31.34 H new ATOM 0 HD3 LYS A 59 -11.654 -9.711 -4.171 1.00 31.34 H new ATOM 0 HE2 LYS A 59 -11.495 -12.338 -4.758 1.00 41.41 H new ATOM 0 HE3 LYS A 59 -11.410 -12.467 -3.013 1.00 41.41 H new ATOM 0 HZ1 LYS A 59 -13.687 -12.584 -3.790 1.00 52.31 H new ATOM 0 HZ2 LYS A 59 -13.469 -11.190 -2.846 1.00 52.31 H new ATOM 0 HZ3 LYS A 59 -13.551 -11.066 -4.537 1.00 52.31 H new ATOM 935 N LEU A 60 -6.937 -7.002 -5.424 1.00 24.33 N ATOM 936 CA LEU A 60 -6.817 -5.775 -6.206 1.00 53.42 C ATOM 937 C LEU A 60 -5.592 -5.826 -7.114 1.00 14.42 C ATOM 938 O LEU A 60 -5.632 -5.364 -8.254 1.00 34.42 O ATOM 939 CB LEU A 60 -6.729 -4.562 -5.279 1.00 54.22 C ATOM 940 CG LEU A 60 -8.041 -4.113 -4.636 1.00 4.03 C ATOM 941 CD1 LEU A 60 -8.392 -5.006 -3.457 1.00 55.41 C ATOM 942 CD2 LEU A 60 -7.950 -2.658 -4.197 1.00 52.35 C ATOM 0 H LEU A 60 -6.592 -6.927 -4.467 1.00 24.33 H new ATOM 0 HA LEU A 60 -7.706 -5.683 -6.830 1.00 53.42 H new ATOM 0 HB2 LEU A 60 -6.017 -4.787 -4.485 1.00 54.22 H new ATOM 0 HB3 LEU A 60 -6.320 -3.725 -5.846 1.00 54.22 H new ATOM 0 HG LEU A 60 -8.834 -4.199 -5.379 1.00 4.03 H new ATOM 0 HD11 LEU A 60 -9.329 -4.670 -3.013 1.00 55.41 H new ATOM 0 HD12 LEU A 60 -8.501 -6.035 -3.800 1.00 55.41 H new ATOM 0 HD13 LEU A 60 -7.598 -4.954 -2.712 1.00 55.41 H new ATOM 0 HD21 LEU A 60 -8.893 -2.356 -3.742 1.00 52.35 H new ATOM 0 HD22 LEU A 60 -7.144 -2.547 -3.471 1.00 52.35 H new ATOM 0 HD23 LEU A 60 -7.747 -2.029 -5.063 1.00 52.35 H new ATOM 954 N ILE A 61 -4.506 -6.395 -6.600 1.00 64.34 N ATOM 955 CA ILE A 61 -3.270 -6.509 -7.365 1.00 10.22 C ATOM 956 C ILE A 61 -2.631 -7.880 -7.175 1.00 61.23 C ATOM 957 O ILE A 61 -1.641 -8.037 -6.460 1.00 51.40 O ATOM 958 CB ILE A 61 -2.256 -5.421 -6.963 1.00 51.41 C ATOM 959 CG1 ILE A 61 -2.873 -4.031 -7.128 1.00 43.34 C ATOM 960 CG2 ILE A 61 -0.988 -5.547 -7.794 1.00 71.41 C ATOM 961 CD1 ILE A 61 -3.481 -3.484 -5.857 1.00 10.34 C ATOM 0 H ILE A 61 -4.457 -6.784 -5.658 1.00 64.34 H new ATOM 0 HA ILE A 61 -3.535 -6.377 -8.414 1.00 10.22 H new ATOM 0 HB ILE A 61 -1.995 -5.558 -5.914 1.00 51.41 H new ATOM 0 HG12 ILE A 61 -2.106 -3.341 -7.480 1.00 43.34 H new ATOM 0 HG13 ILE A 61 -3.642 -4.073 -7.900 1.00 43.34 H new ATOM 0 HG21 ILE A 61 -0.281 -4.772 -7.499 1.00 71.41 H new ATOM 0 HG22 ILE A 61 -0.541 -6.527 -7.629 1.00 71.41 H new ATOM 0 HG23 ILE A 61 -1.232 -5.432 -8.850 1.00 71.41 H new ATOM 0 HD11 ILE A 61 -3.899 -2.496 -6.050 1.00 10.34 H new ATOM 0 HD12 ILE A 61 -4.271 -4.152 -5.515 1.00 10.34 H new ATOM 0 HD13 ILE A 61 -2.712 -3.409 -5.089 1.00 10.34 H new ATOM 973 N PRO A 62 -3.207 -8.897 -7.832 1.00 10.22 N ATOM 974 CA PRO A 62 -2.709 -10.274 -7.754 1.00 20.41 C ATOM 975 C PRO A 62 -1.369 -10.446 -8.461 1.00 41.53 C ATOM 976 O PRO A 62 -1.303 -10.469 -9.689 1.00 41.31 O ATOM 977 CB PRO A 62 -3.796 -11.086 -8.461 1.00 4.34 C ATOM 978 CG PRO A 62 -4.447 -10.120 -9.389 1.00 24.12 C ATOM 979 CD PRO A 62 -4.389 -8.782 -8.703 1.00 54.34 C ATOM 0 HA PRO A 62 -2.529 -10.585 -6.725 1.00 20.41 H new ATOM 0 HB2 PRO A 62 -3.370 -11.930 -9.003 1.00 4.34 H new ATOM 0 HB3 PRO A 62 -4.512 -11.494 -7.748 1.00 4.34 H new ATOM 0 HG2 PRO A 62 -3.929 -10.090 -10.347 1.00 24.12 H new ATOM 0 HG3 PRO A 62 -5.478 -10.409 -9.593 1.00 24.12 H new ATOM 0 HD2 PRO A 62 -4.283 -7.967 -9.419 1.00 54.34 H new ATOM 0 HD3 PRO A 62 -5.294 -8.585 -8.128 1.00 54.34 H new ATOM 987 N GLY A 63 -0.302 -10.570 -7.678 1.00 24.43 N ATOM 988 CA GLY A 63 1.022 -10.738 -8.247 1.00 50.54 C ATOM 989 C GLY A 63 2.014 -9.719 -7.724 1.00 3.32 C ATOM 990 O GLY A 63 2.919 -9.298 -8.443 1.00 63.01 O ATOM 0 H GLY A 63 -0.331 -10.557 -6.658 1.00 24.43 H new ATOM 0 HA2 GLY A 63 1.385 -11.741 -8.023 1.00 50.54 H new ATOM 0 HA3 GLY A 63 0.960 -10.656 -9.332 1.00 50.54 H new ATOM 994 N ALA A 64 1.841 -9.318 -6.469 1.00 13.32 N ATOM 995 CA ALA A 64 2.728 -8.342 -5.850 1.00 43.24 C ATOM 996 C ALA A 64 3.242 -8.841 -4.504 1.00 10.41 C ATOM 997 O ALA A 64 2.757 -9.843 -3.976 1.00 3.22 O ATOM 998 CB ALA A 64 2.013 -7.010 -5.682 1.00 45.42 C ATOM 0 H ALA A 64 1.094 -9.654 -5.861 1.00 13.32 H new ATOM 0 HA ALA A 64 3.586 -8.201 -6.507 1.00 43.24 H new ATOM 0 HB1 ALA A 64 2.688 -6.291 -5.218 1.00 45.42 H new ATOM 0 HB2 ALA A 64 1.702 -6.638 -6.658 1.00 45.42 H new ATOM 0 HB3 ALA A 64 1.136 -7.145 -5.049 1.00 45.42 H new ATOM 1004 N HIS A 65 4.225 -8.138 -3.952 1.00 43.24 N ATOM 1005 CA HIS A 65 4.804 -8.512 -2.667 1.00 23.50 C ATOM 1006 C HIS A 65 4.141 -7.742 -1.528 1.00 5.44 C ATOM 1007 O HIS A 65 4.305 -6.527 -1.408 1.00 34.13 O ATOM 1008 CB HIS A 65 6.311 -8.247 -2.666 1.00 15.13 C ATOM 1009 CG HIS A 65 7.054 -9.021 -1.621 1.00 13.15 C ATOM 1010 ND1 HIS A 65 8.290 -9.591 -1.844 1.00 12.14 N ATOM 1011 CD2 HIS A 65 6.729 -9.317 -0.341 1.00 52.22 C ATOM 1012 CE1 HIS A 65 8.692 -10.206 -0.746 1.00 32.52 C ATOM 1013 NE2 HIS A 65 7.764 -10.054 0.181 1.00 34.31 N ATOM 0 H HIS A 65 4.637 -7.306 -4.374 1.00 43.24 H new ATOM 0 HA HIS A 65 4.629 -9.577 -2.514 1.00 23.50 H new ATOM 0 HB2 HIS A 65 6.716 -8.495 -3.647 1.00 15.13 H new ATOM 0 HB3 HIS A 65 6.484 -7.182 -2.510 1.00 15.13 H new ATOM 0 HD2 HIS A 65 5.825 -9.028 0.174 1.00 52.22 H new ATOM 0 HE1 HIS A 65 9.622 -10.742 -0.627 1.00 32.52 H new ATOM 0 HE2 HIS A 65 7.808 -10.424 1.131 1.00 34.31 H new ATOM 1021 N PHE A 66 3.390 -8.456 -0.697 1.00 73.41 N ATOM 1022 CA PHE A 66 2.700 -7.840 0.431 1.00 55.33 C ATOM 1023 C PHE A 66 3.290 -8.316 1.755 1.00 14.52 C ATOM 1024 O PHE A 66 3.925 -9.368 1.820 1.00 72.00 O ATOM 1025 CB PHE A 66 1.206 -8.163 0.379 1.00 11.34 C ATOM 1026 CG PHE A 66 0.386 -7.106 -0.305 1.00 52.34 C ATOM 1027 CD1 PHE A 66 0.358 -7.021 -1.688 1.00 12.21 C ATOM 1028 CD2 PHE A 66 -0.353 -6.198 0.434 1.00 12.21 C ATOM 1029 CE1 PHE A 66 -0.394 -6.050 -2.321 1.00 0.50 C ATOM 1030 CE2 PHE A 66 -1.108 -5.225 -0.194 1.00 23.24 C ATOM 1031 CZ PHE A 66 -1.128 -5.150 -1.573 1.00 33.13 C ATOM 0 H PHE A 66 3.243 -9.462 -0.783 1.00 73.41 H new ATOM 0 HA PHE A 66 2.834 -6.760 0.362 1.00 55.33 H new ATOM 0 HB2 PHE A 66 1.066 -9.112 -0.139 1.00 11.34 H new ATOM 0 HB3 PHE A 66 0.836 -8.297 1.396 1.00 11.34 H new ATOM 0 HD1 PHE A 66 0.930 -7.722 -2.278 1.00 12.21 H new ATOM 0 HD2 PHE A 66 -0.340 -6.250 1.513 1.00 12.21 H new ATOM 0 HE1 PHE A 66 -0.408 -5.995 -3.399 1.00 0.50 H new ATOM 0 HE2 PHE A 66 -1.682 -4.524 0.393 1.00 23.24 H new ATOM 0 HZ PHE A 66 -1.716 -4.390 -2.065 1.00 33.13 H new ATOM 1041 N GLU A 67 3.073 -7.534 2.808 1.00 21.11 N ATOM 1042 CA GLU A 67 3.585 -7.875 4.130 1.00 23.12 C ATOM 1043 C GLU A 67 2.697 -7.288 5.224 1.00 30.14 C ATOM 1044 O GLU A 67 2.633 -6.072 5.402 1.00 35.41 O ATOM 1045 CB GLU A 67 5.018 -7.367 4.294 1.00 63.33 C ATOM 1046 CG GLU A 67 6.061 -8.471 4.275 1.00 64.42 C ATOM 1047 CD GLU A 67 7.423 -7.995 4.743 1.00 31.22 C ATOM 1048 OE1 GLU A 67 8.110 -7.303 3.962 1.00 31.42 O ATOM 1049 OE2 GLU A 67 7.802 -8.315 5.889 1.00 62.11 O ATOM 0 H GLU A 67 2.547 -6.661 2.771 1.00 21.11 H new ATOM 0 HA GLU A 67 3.580 -8.961 4.224 1.00 23.12 H new ATOM 0 HB2 GLU A 67 5.237 -6.658 3.495 1.00 63.33 H new ATOM 0 HB3 GLU A 67 5.096 -6.821 5.234 1.00 63.33 H new ATOM 0 HG2 GLU A 67 5.728 -9.291 4.912 1.00 64.42 H new ATOM 0 HG3 GLU A 67 6.147 -8.867 3.263 1.00 64.42 H new ATOM 1056 N LYS A 68 2.013 -8.162 5.955 1.00 55.11 N ATOM 1057 CA LYS A 68 1.130 -7.733 7.033 1.00 4.21 C ATOM 1058 C LYS A 68 1.742 -8.045 8.395 1.00 22.01 C ATOM 1059 O LYS A 68 1.040 -8.092 9.405 1.00 22.53 O ATOM 1060 CB LYS A 68 -0.233 -8.418 6.905 1.00 4.24 C ATOM 1061 CG LYS A 68 -1.307 -7.805 7.788 1.00 72.31 C ATOM 1062 CD LYS A 68 -2.113 -8.873 8.509 1.00 62.30 C ATOM 1063 CE LYS A 68 -2.982 -8.271 9.602 1.00 33.02 C ATOM 1064 NZ LYS A 68 -3.178 -9.215 10.737 1.00 14.21 N ATOM 0 H LYS A 68 2.053 -9.172 5.820 1.00 55.11 H new ATOM 0 HA LYS A 68 0.997 -6.654 6.953 1.00 4.21 H new ATOM 0 HB2 LYS A 68 -0.558 -8.370 5.866 1.00 4.24 H new ATOM 0 HB3 LYS A 68 -0.125 -9.473 7.157 1.00 4.24 H new ATOM 0 HG2 LYS A 68 -0.844 -7.142 8.519 1.00 72.31 H new ATOM 0 HG3 LYS A 68 -1.974 -7.193 7.180 1.00 72.31 H new ATOM 0 HD2 LYS A 68 -2.742 -9.402 7.793 1.00 62.30 H new ATOM 0 HD3 LYS A 68 -1.437 -9.609 8.944 1.00 62.30 H new ATOM 0 HE2 LYS A 68 -2.521 -7.353 9.968 1.00 33.02 H new ATOM 0 HE3 LYS A 68 -3.951 -7.997 9.186 1.00 33.02 H new ATOM 0 HZ1 LYS A 68 -3.776 -8.768 11.461 1.00 14.21 H new ATOM 0 HZ2 LYS A 68 -3.640 -10.081 10.393 1.00 14.21 H new ATOM 0 HZ3 LYS A 68 -2.255 -9.457 11.151 1.00 14.21 H new ATOM 1078 N ARG A 69 3.053 -8.257 8.414 1.00 64.42 N ATOM 1079 CA ARG A 69 3.759 -8.564 9.653 1.00 44.53 C ATOM 1080 C ARG A 69 3.921 -7.313 10.511 1.00 23.01 C ATOM 1081 O ARG A 69 4.463 -7.371 11.615 1.00 3.33 O ATOM 1082 CB ARG A 69 5.132 -9.166 9.346 1.00 3.33 C ATOM 1083 CG ARG A 69 5.303 -10.585 9.862 1.00 44.12 C ATOM 1084 CD ARG A 69 6.729 -11.079 9.672 1.00 41.14 C ATOM 1085 NE ARG A 69 7.023 -12.238 10.509 1.00 12.33 N ATOM 1086 CZ ARG A 69 8.232 -12.778 10.620 1.00 32.21 C ATOM 1087 NH1 ARG A 69 9.255 -12.264 9.951 1.00 25.44 N ATOM 1088 NH2 ARG A 69 8.420 -13.833 11.402 1.00 34.33 N ATOM 0 H ARG A 69 3.648 -8.222 7.586 1.00 64.42 H new ATOM 0 HA ARG A 69 3.167 -9.291 10.209 1.00 44.53 H new ATOM 0 HB2 ARG A 69 5.290 -9.159 8.267 1.00 3.33 H new ATOM 0 HB3 ARG A 69 5.903 -8.533 9.785 1.00 3.33 H new ATOM 0 HG2 ARG A 69 5.042 -10.623 10.920 1.00 44.12 H new ATOM 0 HG3 ARG A 69 4.614 -11.249 9.340 1.00 44.12 H new ATOM 0 HD2 ARG A 69 6.886 -11.339 8.625 1.00 41.14 H new ATOM 0 HD3 ARG A 69 7.426 -10.275 9.909 1.00 41.14 H new ATOM 0 HE ARG A 69 6.258 -12.657 11.038 1.00 12.33 H new ATOM 0 HH11 ARG A 69 9.115 -11.452 9.350 1.00 25.44 H new ATOM 0 HH12 ARG A 69 10.182 -12.680 10.038 1.00 25.44 H new ATOM 0 HH21 ARG A 69 7.636 -14.231 11.919 1.00 34.33 H new ATOM 0 HH22 ARG A 69 9.349 -14.246 11.486 1.00 34.33 H new ATOM 1102 N ARG A 70 3.448 -6.182 9.995 1.00 13.13 N ATOM 1103 CA ARG A 70 3.542 -4.917 10.713 1.00 43.32 C ATOM 1104 C ARG A 70 4.993 -4.457 10.816 1.00 72.15 C ATOM 1105 O ARG A 70 5.466 -4.099 11.894 1.00 73.41 O ATOM 1106 CB ARG A 70 2.939 -5.054 12.112 1.00 3.20 C ATOM 1107 CG ARG A 70 1.626 -5.821 12.136 1.00 34.44 C ATOM 1108 CD ARG A 70 1.151 -6.065 13.561 1.00 45.50 C ATOM 1109 NE ARG A 70 1.267 -4.869 14.389 1.00 60.14 N ATOM 1110 CZ ARG A 70 1.166 -4.879 15.713 1.00 74.54 C ATOM 1111 NH1 ARG A 70 0.949 -6.019 16.356 1.00 24.41 N ATOM 1112 NH2 ARG A 70 1.285 -3.748 16.398 1.00 14.24 N ATOM 0 H ARG A 70 2.996 -6.117 9.083 1.00 13.13 H new ATOM 0 HA ARG A 70 2.980 -4.168 10.154 1.00 43.32 H new ATOM 0 HB2 ARG A 70 3.656 -5.558 12.760 1.00 3.20 H new ATOM 0 HB3 ARG A 70 2.777 -4.060 12.528 1.00 3.20 H new ATOM 0 HG2 ARG A 70 0.867 -5.263 11.588 1.00 34.44 H new ATOM 0 HG3 ARG A 70 1.751 -6.775 11.624 1.00 34.44 H new ATOM 0 HD2 ARG A 70 0.112 -6.395 13.545 1.00 45.50 H new ATOM 0 HD3 ARG A 70 1.735 -6.871 14.005 1.00 45.50 H new ATOM 0 HE ARG A 70 1.435 -3.976 13.925 1.00 60.14 H new ATOM 0 HH11 ARG A 70 0.859 -6.890 15.833 1.00 24.41 H new ATOM 0 HH12 ARG A 70 0.872 -6.024 17.373 1.00 24.41 H new ATOM 0 HH21 ARG A 70 1.454 -2.870 15.907 1.00 14.24 H new ATOM 0 HH22 ARG A 70 1.207 -3.757 17.415 1.00 14.24 H new ATOM 1126 N GLY A 71 5.694 -4.469 9.686 1.00 11.03 N ATOM 1127 CA GLY A 71 7.084 -4.051 9.672 1.00 33.01 C ATOM 1128 C GLY A 71 7.238 -2.546 9.767 1.00 44.31 C ATOM 1129 O GLY A 71 8.355 -2.032 9.844 1.00 2.14 O ATOM 0 H GLY A 71 5.325 -4.760 8.781 1.00 11.03 H new ATOM 0 HA2 GLY A 71 7.610 -4.520 10.504 1.00 33.01 H new ATOM 0 HA3 GLY A 71 7.557 -4.404 8.756 1.00 33.01 H new ATOM 1133 N THR A 72 6.114 -1.836 9.759 1.00 24.31 N ATOM 1134 CA THR A 72 6.128 -0.381 9.843 1.00 71.34 C ATOM 1135 C THR A 72 4.819 0.151 10.411 1.00 2.23 C ATOM 1136 O THR A 72 4.388 1.253 10.075 1.00 2.14 O ATOM 1137 CB THR A 72 6.373 0.258 8.463 1.00 62.04 C ATOM 1138 OG1 THR A 72 5.619 -0.434 7.461 1.00 73.13 O ATOM 1139 CG2 THR A 72 7.851 0.225 8.105 1.00 21.11 C ATOM 0 H THR A 72 5.182 -2.246 9.695 1.00 24.31 H new ATOM 0 HA THR A 72 6.946 -0.111 10.511 1.00 71.34 H new ATOM 0 HB THR A 72 6.049 1.298 8.507 1.00 62.04 H new ATOM 0 HG1 THR A 72 5.779 -0.020 6.587 1.00 73.13 H new ATOM 0 HG21 THR A 72 7.999 0.682 7.126 1.00 21.11 H new ATOM 0 HG22 THR A 72 8.419 0.778 8.853 1.00 21.11 H new ATOM 0 HG23 THR A 72 8.196 -0.809 8.079 1.00 21.11 H new ATOM 1147 N GLN A 73 4.189 -0.640 11.274 1.00 70.13 N ATOM 1148 CA GLN A 73 2.927 -0.248 11.890 1.00 45.33 C ATOM 1149 C GLN A 73 3.066 1.088 12.613 1.00 51.40 C ATOM 1150 O GLN A 73 3.575 1.149 13.730 1.00 32.45 O ATOM 1151 CB GLN A 73 2.455 -1.325 12.868 1.00 25.41 C ATOM 1152 CG GLN A 73 1.292 -0.885 13.743 1.00 44.35 C ATOM 1153 CD GLN A 73 1.716 -0.569 15.162 1.00 32.22 C ATOM 1154 OE1 GLN A 73 2.661 -1.160 15.687 1.00 3.14 O ATOM 1155 NE2 GLN A 73 1.018 0.367 15.795 1.00 65.12 N ATOM 0 H GLN A 73 4.532 -1.556 11.562 1.00 70.13 H new ATOM 0 HA GLN A 73 2.185 -0.137 11.099 1.00 45.33 H new ATOM 0 HB2 GLN A 73 2.161 -2.211 12.305 1.00 25.41 H new ATOM 0 HB3 GLN A 73 3.290 -1.615 13.506 1.00 25.41 H new ATOM 0 HG2 GLN A 73 0.824 -0.004 13.303 1.00 44.35 H new ATOM 0 HG3 GLN A 73 0.537 -1.671 13.760 1.00 44.35 H new ATOM 0 HE21 GLN A 73 0.243 0.832 15.323 1.00 65.12 H new ATOM 0 HE22 GLN A 73 1.257 0.621 16.753 1.00 65.12 H new ATOM 1164 N GLY A 74 2.609 2.156 11.966 1.00 75.43 N ATOM 1165 CA GLY A 74 2.692 3.476 12.563 1.00 64.53 C ATOM 1166 C GLY A 74 3.945 4.223 12.147 1.00 11.33 C ATOM 1167 O GLY A 74 3.957 5.452 12.108 1.00 74.20 O ATOM 0 H GLY A 74 2.183 2.130 11.040 1.00 75.43 H new ATOM 0 HA2 GLY A 74 1.815 4.057 12.277 1.00 64.53 H new ATOM 0 HA3 GLY A 74 2.672 3.382 13.649 1.00 64.53 H new ATOM 1171 N GLU A 75 5.001 3.476 11.839 1.00 63.33 N ATOM 1172 CA GLU A 75 6.264 4.077 11.426 1.00 72.44 C ATOM 1173 C GLU A 75 6.205 4.523 9.968 1.00 63.51 C ATOM 1174 O GLU A 75 6.898 5.457 9.565 1.00 3.45 O ATOM 1175 CB GLU A 75 7.413 3.085 11.620 1.00 35.31 C ATOM 1176 CG GLU A 75 8.627 3.686 12.310 1.00 34.15 C ATOM 1177 CD GLU A 75 9.546 2.633 12.897 1.00 40.12 C ATOM 1178 OE1 GLU A 75 9.335 2.245 14.065 1.00 50.21 O ATOM 1179 OE2 GLU A 75 10.476 2.197 12.188 1.00 74.25 O ATOM 0 H GLU A 75 5.007 2.456 11.868 1.00 63.33 H new ATOM 0 HA GLU A 75 6.440 4.954 12.049 1.00 72.44 H new ATOM 0 HB2 GLU A 75 7.055 2.238 12.205 1.00 35.31 H new ATOM 0 HB3 GLU A 75 7.714 2.696 10.647 1.00 35.31 H new ATOM 0 HG2 GLU A 75 9.184 4.291 11.595 1.00 34.15 H new ATOM 0 HG3 GLU A 75 8.295 4.356 13.103 1.00 34.15 H new ATOM 1186 N ALA A 76 5.374 3.847 9.182 1.00 1.11 N ATOM 1187 CA ALA A 76 5.221 4.174 7.770 1.00 74.35 C ATOM 1188 C ALA A 76 4.500 5.506 7.589 1.00 72.54 C ATOM 1189 O ALA A 76 4.439 6.043 6.482 1.00 13.14 O ATOM 1190 CB ALA A 76 4.472 3.064 7.048 1.00 21.10 C ATOM 0 H ALA A 76 4.796 3.069 9.500 1.00 1.11 H new ATOM 0 HA ALA A 76 6.216 4.267 7.335 1.00 74.35 H new ATOM 0 HB1 ALA A 76 4.365 3.323 5.994 1.00 21.10 H new ATOM 0 HB2 ALA A 76 5.028 2.131 7.138 1.00 21.10 H new ATOM 0 HB3 ALA A 76 3.485 2.942 7.493 1.00 21.10 H new ATOM 1196 N ARG A 77 3.958 6.032 8.681 1.00 23.11 N ATOM 1197 CA ARG A 77 3.239 7.300 8.642 1.00 23.01 C ATOM 1198 C ARG A 77 4.209 8.470 8.502 1.00 24.54 C ATOM 1199 O ARG A 77 3.816 9.572 8.118 1.00 74.33 O ATOM 1200 CB ARG A 77 2.395 7.472 9.907 1.00 65.32 C ATOM 1201 CG ARG A 77 1.031 8.092 9.648 1.00 14.42 C ATOM 1202 CD ARG A 77 -0.006 7.586 10.639 1.00 43.42 C ATOM 1203 NE ARG A 77 -0.144 8.476 11.789 1.00 4.25 N ATOM 1204 CZ ARG A 77 -0.689 8.107 12.943 1.00 50.03 C ATOM 1205 NH1 ARG A 77 -1.143 6.871 13.099 1.00 14.02 N ATOM 1206 NH2 ARG A 77 -0.779 8.974 13.943 1.00 75.13 N ATOM 0 H ARG A 77 4.003 5.600 9.604 1.00 23.11 H new ATOM 0 HA ARG A 77 2.581 7.289 7.773 1.00 23.01 H new ATOM 0 HB2 ARG A 77 2.259 6.499 10.378 1.00 65.32 H new ATOM 0 HB3 ARG A 77 2.940 8.096 10.615 1.00 65.32 H new ATOM 0 HG2 ARG A 77 1.104 9.177 9.718 1.00 14.42 H new ATOM 0 HG3 ARG A 77 0.710 7.859 8.633 1.00 14.42 H new ATOM 0 HD2 ARG A 77 -0.969 7.489 10.138 1.00 43.42 H new ATOM 0 HD3 ARG A 77 0.276 6.591 10.983 1.00 43.42 H new ATOM 0 HE ARG A 77 0.197 9.433 11.701 1.00 4.25 H new ATOM 0 HH11 ARG A 77 -1.074 6.202 12.332 1.00 14.02 H new ATOM 0 HH12 ARG A 77 -1.561 6.589 13.986 1.00 14.02 H new ATOM 0 HH21 ARG A 77 -0.430 9.925 13.826 1.00 75.13 H new ATOM 0 HH22 ARG A 77 -1.198 8.689 14.829 1.00 75.13 H new ATOM 1220 N ALA A 78 5.476 8.223 8.817 1.00 3.52 N ATOM 1221 CA ALA A 78 6.501 9.255 8.725 1.00 50.00 C ATOM 1222 C ALA A 78 7.468 8.968 7.580 1.00 20.14 C ATOM 1223 O ALA A 78 7.574 9.749 6.634 1.00 31.42 O ATOM 1224 CB ALA A 78 7.257 9.367 10.041 1.00 42.11 C ATOM 0 H ALA A 78 5.817 7.317 9.138 1.00 3.52 H new ATOM 0 HA ALA A 78 6.008 10.205 8.520 1.00 50.00 H new ATOM 0 HB1 ALA A 78 8.019 10.142 9.958 1.00 42.11 H new ATOM 0 HB2 ALA A 78 6.562 9.627 10.839 1.00 42.11 H new ATOM 0 HB3 ALA A 78 7.732 8.413 10.270 1.00 42.11 H new ATOM 1230 N TYR A 79 8.169 7.845 7.673 1.00 71.35 N ATOM 1231 CA TYR A 79 9.130 7.457 6.647 1.00 60.21 C ATOM 1232 C TYR A 79 8.425 7.138 5.333 1.00 4.45 C ATOM 1233 O TYR A 79 8.764 7.684 4.284 1.00 63.55 O ATOM 1234 CB TYR A 79 9.942 6.246 7.109 1.00 73.22 C ATOM 1235 CG TYR A 79 10.736 5.590 6.002 1.00 12.14 C ATOM 1236 CD1 TYR A 79 11.411 6.354 5.058 1.00 21.14 C ATOM 1237 CD2 TYR A 79 10.809 4.206 5.899 1.00 22.22 C ATOM 1238 CE1 TYR A 79 12.137 5.759 4.045 1.00 4.03 C ATOM 1239 CE2 TYR A 79 11.534 3.603 4.889 1.00 11.34 C ATOM 1240 CZ TYR A 79 12.196 4.383 3.965 1.00 2.21 C ATOM 1241 OH TYR A 79 12.917 3.786 2.956 1.00 32.24 O ATOM 0 H TYR A 79 8.090 7.187 8.448 1.00 71.35 H new ATOM 0 HA TYR A 79 9.805 8.297 6.482 1.00 60.21 H new ATOM 0 HB2 TYR A 79 10.625 6.558 7.899 1.00 73.22 H new ATOM 0 HB3 TYR A 79 9.266 5.510 7.544 1.00 73.22 H new ATOM 0 HD1 TYR A 79 11.367 7.431 5.117 1.00 21.14 H new ATOM 0 HD2 TYR A 79 10.291 3.592 6.620 1.00 22.22 H new ATOM 0 HE1 TYR A 79 12.656 6.368 3.319 1.00 4.03 H new ATOM 0 HE2 TYR A 79 11.582 2.526 4.824 1.00 11.34 H new ATOM 0 HH TYR A 79 12.857 2.812 3.044 1.00 32.24 H new ATOM 1251 N SER A 80 7.438 6.249 5.399 1.00 33.12 N ATOM 1252 CA SER A 80 6.684 5.854 4.214 1.00 35.41 C ATOM 1253 C SER A 80 7.598 5.199 3.183 1.00 65.22 C ATOM 1254 O SER A 80 7.766 3.980 3.171 1.00 74.10 O ATOM 1255 CB SER A 80 5.988 7.068 3.599 1.00 23.32 C ATOM 1256 OG SER A 80 4.925 7.519 4.420 1.00 13.15 O ATOM 0 H SER A 80 7.142 5.789 6.260 1.00 33.12 H new ATOM 0 HA SER A 80 5.930 5.128 4.518 1.00 35.41 H new ATOM 0 HB2 SER A 80 6.710 7.873 3.460 1.00 23.32 H new ATOM 0 HB3 SER A 80 5.604 6.809 2.612 1.00 23.32 H new ATOM 0 HG SER A 80 4.969 7.068 5.289 1.00 13.15 H new ATOM 1262 N MET A 81 8.185 6.019 2.318 1.00 41.44 N ATOM 1263 CA MET A 81 9.083 5.521 1.282 1.00 43.11 C ATOM 1264 C MET A 81 10.408 6.276 1.301 1.00 20.00 C ATOM 1265 O MET A 81 10.592 7.210 2.083 1.00 12.54 O ATOM 1266 CB MET A 81 8.429 5.650 -0.095 1.00 24.02 C ATOM 1267 CG MET A 81 7.753 4.373 -0.569 1.00 24.22 C ATOM 1268 SD MET A 81 6.340 3.914 0.453 1.00 30.32 S ATOM 1269 CE MET A 81 5.292 5.353 0.247 1.00 73.03 C ATOM 0 H MET A 81 8.055 7.031 2.313 1.00 41.44 H new ATOM 0 HA MET A 81 9.282 4.469 1.485 1.00 43.11 H new ATOM 0 HB2 MET A 81 7.691 6.452 -0.064 1.00 24.02 H new ATOM 0 HB3 MET A 81 9.187 5.942 -0.822 1.00 24.02 H new ATOM 0 HG2 MET A 81 7.424 4.502 -1.600 1.00 24.22 H new ATOM 0 HG3 MET A 81 8.479 3.560 -0.565 1.00 24.22 H new ATOM 0 HE1 MET A 81 4.360 5.205 0.792 1.00 73.03 H new ATOM 0 HE2 MET A 81 5.803 6.234 0.635 1.00 73.03 H new ATOM 0 HE3 MET A 81 5.075 5.496 -0.811 1.00 73.03 H new ATOM 1279 N LYS A 82 11.330 5.868 0.436 1.00 1.54 N ATOM 1280 CA LYS A 82 12.638 6.505 0.353 1.00 25.52 C ATOM 1281 C LYS A 82 12.600 7.704 -0.590 1.00 24.13 C ATOM 1282 O LYS A 82 12.397 7.551 -1.794 1.00 1.13 O ATOM 1283 CB LYS A 82 13.689 5.502 -0.126 1.00 14.44 C ATOM 1284 CG LYS A 82 14.786 5.238 0.891 1.00 11.24 C ATOM 1285 CD LYS A 82 16.140 5.074 0.221 1.00 12.55 C ATOM 1286 CE LYS A 82 17.148 4.424 1.156 1.00 74.50 C ATOM 1287 NZ LYS A 82 17.000 2.943 1.190 1.00 51.21 N ATOM 0 H LYS A 82 11.195 5.097 -0.219 1.00 1.54 H new ATOM 0 HA LYS A 82 12.906 6.855 1.350 1.00 25.52 H new ATOM 0 HB2 LYS A 82 13.196 4.561 -0.369 1.00 14.44 H new ATOM 0 HB3 LYS A 82 14.140 5.873 -1.046 1.00 14.44 H new ATOM 0 HG2 LYS A 82 14.829 6.062 1.603 1.00 11.24 H new ATOM 0 HG3 LYS A 82 14.548 4.338 1.458 1.00 11.24 H new ATOM 0 HD2 LYS A 82 16.031 4.467 -0.678 1.00 12.55 H new ATOM 0 HD3 LYS A 82 16.511 6.049 -0.096 1.00 12.55 H new ATOM 0 HE2 LYS A 82 18.158 4.681 0.836 1.00 74.50 H new ATOM 0 HE3 LYS A 82 17.021 4.825 2.162 1.00 74.50 H new ATOM 0 HZ1 LYS A 82 17.705 2.538 1.839 1.00 51.21 H new ATOM 0 HZ2 LYS A 82 16.045 2.697 1.520 1.00 51.21 H new ATOM 0 HZ3 LYS A 82 17.146 2.557 0.235 1.00 51.21 H new ATOM 1301 N GLU A 83 12.797 8.896 -0.034 1.00 12.33 N ATOM 1302 CA GLU A 83 12.786 10.120 -0.826 1.00 53.43 C ATOM 1303 C GLU A 83 13.927 10.122 -1.839 1.00 63.42 C ATOM 1304 O GLU A 83 13.788 10.644 -2.946 1.00 54.33 O ATOM 1305 CB GLU A 83 12.895 11.344 0.084 1.00 4.35 C ATOM 1306 CG GLU A 83 11.559 12.012 0.368 1.00 10.42 C ATOM 1307 CD GLU A 83 11.661 13.098 1.421 1.00 54.14 C ATOM 1308 OE1 GLU A 83 12.115 14.211 1.083 1.00 62.03 O ATOM 1309 OE2 GLU A 83 11.288 12.834 2.583 1.00 21.50 O ATOM 0 H GLU A 83 12.966 9.039 0.962 1.00 12.33 H new ATOM 0 HA GLU A 83 11.841 10.163 -1.368 1.00 53.43 H new ATOM 0 HB2 GLU A 83 13.350 11.045 1.028 1.00 4.35 H new ATOM 0 HB3 GLU A 83 13.564 12.070 -0.377 1.00 4.35 H new ATOM 0 HG2 GLU A 83 11.169 12.441 -0.555 1.00 10.42 H new ATOM 0 HG3 GLU A 83 10.843 11.259 0.697 1.00 10.42 H new ATOM 1316 N ASP A 84 15.055 9.537 -1.452 1.00 41.12 N ATOM 1317 CA ASP A 84 16.221 9.470 -2.324 1.00 45.25 C ATOM 1318 C ASP A 84 15.878 8.776 -3.639 1.00 1.41 C ATOM 1319 O ASP A 84 16.381 9.146 -4.700 1.00 53.32 O ATOM 1320 CB ASP A 84 17.366 8.733 -1.628 1.00 63.03 C ATOM 1321 CG ASP A 84 18.600 9.599 -1.470 1.00 50.11 C ATOM 1322 OD1 ASP A 84 18.567 10.533 -0.641 1.00 64.04 O ATOM 1323 OD2 ASP A 84 19.599 9.343 -2.175 1.00 55.22 O ATOM 0 H ASP A 84 15.186 9.102 -0.539 1.00 41.12 H new ATOM 0 HA ASP A 84 16.537 10.490 -2.543 1.00 45.25 H new ATOM 0 HB2 ASP A 84 17.034 8.396 -0.646 1.00 63.03 H new ATOM 0 HB3 ASP A 84 17.622 7.842 -2.201 1.00 63.03 H new ATOM 1328 N THR A 85 15.017 7.765 -3.562 1.00 35.35 N ATOM 1329 CA THR A 85 14.608 7.017 -4.743 1.00 0.33 C ATOM 1330 C THR A 85 13.155 7.307 -5.102 1.00 32.44 C ATOM 1331 O THR A 85 12.582 6.663 -5.981 1.00 21.52 O ATOM 1332 CB THR A 85 14.780 5.500 -4.535 1.00 23.32 C ATOM 1333 OG1 THR A 85 14.455 5.151 -3.185 1.00 0.30 O ATOM 1334 CG2 THR A 85 16.206 5.070 -4.846 1.00 44.11 C ATOM 0 H THR A 85 14.590 7.446 -2.692 1.00 35.35 H new ATOM 0 HA THR A 85 15.253 7.340 -5.560 1.00 0.33 H new ATOM 0 HB THR A 85 14.104 4.983 -5.216 1.00 23.32 H new ATOM 0 HG1 THR A 85 14.565 4.185 -3.061 1.00 0.30 H new ATOM 0 HG21 THR A 85 16.304 3.995 -4.692 1.00 44.11 H new ATOM 0 HG22 THR A 85 16.441 5.311 -5.883 1.00 44.11 H new ATOM 0 HG23 THR A 85 16.897 5.595 -4.186 1.00 44.11 H new ATOM 1342 N ARG A 86 12.565 8.281 -4.416 1.00 42.33 N ATOM 1343 CA ARG A 86 11.177 8.657 -4.663 1.00 52.31 C ATOM 1344 C ARG A 86 11.042 9.401 -5.987 1.00 62.52 C ATOM 1345 O ARG A 86 11.753 10.376 -6.239 1.00 40.34 O ATOM 1346 CB ARG A 86 10.651 9.526 -3.520 1.00 63.30 C ATOM 1347 CG ARG A 86 9.180 9.885 -3.654 1.00 53.32 C ATOM 1348 CD ARG A 86 8.640 10.512 -2.378 1.00 53.25 C ATOM 1349 NE ARG A 86 7.957 11.776 -2.637 1.00 71.21 N ATOM 1350 CZ ARG A 86 7.753 12.704 -1.708 1.00 23.23 C ATOM 1351 NH1 ARG A 86 8.177 12.509 -0.467 1.00 25.32 N ATOM 1352 NH2 ARG A 86 7.122 13.829 -2.021 1.00 72.31 N ATOM 0 H ARG A 86 13.026 8.824 -3.686 1.00 42.33 H new ATOM 0 HA ARG A 86 10.584 7.744 -4.718 1.00 52.31 H new ATOM 0 HB2 ARG A 86 10.804 9.002 -2.577 1.00 63.30 H new ATOM 0 HB3 ARG A 86 11.237 10.444 -3.473 1.00 63.30 H new ATOM 0 HG2 ARG A 86 9.048 10.578 -4.485 1.00 53.32 H new ATOM 0 HG3 ARG A 86 8.606 8.989 -3.891 1.00 53.32 H new ATOM 0 HD2 ARG A 86 7.950 9.819 -1.897 1.00 53.25 H new ATOM 0 HD3 ARG A 86 9.461 10.680 -1.681 1.00 53.25 H new ATOM 0 HE ARG A 86 7.618 11.957 -3.582 1.00 71.21 H new ATOM 0 HH11 ARG A 86 8.661 11.645 -0.223 1.00 25.32 H new ATOM 0 HH12 ARG A 86 8.019 13.223 0.244 1.00 25.32 H new ATOM 0 HH21 ARG A 86 6.794 13.981 -2.975 1.00 72.31 H new ATOM 0 HH22 ARG A 86 6.965 14.541 -1.308 1.00 72.31 H new ATOM 1366 N LEU A 87 10.127 8.936 -6.831 1.00 60.24 N ATOM 1367 CA LEU A 87 9.900 9.558 -8.132 1.00 15.04 C ATOM 1368 C LEU A 87 8.666 10.455 -8.097 1.00 32.52 C ATOM 1369 O LEU A 87 8.747 11.648 -8.388 1.00 14.31 O ATOM 1370 CB LEU A 87 9.734 8.486 -9.210 1.00 32.22 C ATOM 1371 CG LEU A 87 10.680 8.587 -10.407 1.00 72.24 C ATOM 1372 CD1 LEU A 87 10.276 7.600 -11.491 1.00 15.14 C ATOM 1373 CD2 LEU A 87 10.697 10.006 -10.954 1.00 65.31 C ATOM 0 H LEU A 87 9.531 8.131 -6.638 1.00 60.24 H new ATOM 0 HA LEU A 87 10.768 10.173 -8.370 1.00 15.04 H new ATOM 0 HB2 LEU A 87 9.870 7.509 -8.747 1.00 32.22 H new ATOM 0 HB3 LEU A 87 8.709 8.525 -9.578 1.00 32.22 H new ATOM 0 HG LEU A 87 11.687 8.336 -10.073 1.00 72.24 H new ATOM 0 HD11 LEU A 87 10.960 7.686 -12.335 1.00 15.14 H new ATOM 0 HD12 LEU A 87 10.316 6.586 -11.093 1.00 15.14 H new ATOM 0 HD13 LEU A 87 9.261 7.819 -11.823 1.00 15.14 H new ATOM 0 HD21 LEU A 87 11.375 10.060 -11.805 1.00 65.31 H new ATOM 0 HD22 LEU A 87 9.693 10.285 -11.272 1.00 65.31 H new ATOM 0 HD23 LEU A 87 11.035 10.691 -10.177 1.00 65.31 H new ATOM 1385 N GLU A 88 7.527 9.872 -7.736 1.00 23.20 N ATOM 1386 CA GLU A 88 6.278 10.620 -7.663 1.00 30.12 C ATOM 1387 C GLU A 88 5.609 10.430 -6.304 1.00 41.34 C ATOM 1388 O GLU A 88 6.069 9.642 -5.478 1.00 62.32 O ATOM 1389 CB GLU A 88 5.327 10.179 -8.777 1.00 24.10 C ATOM 1390 CG GLU A 88 4.700 11.337 -9.535 1.00 24.05 C ATOM 1391 CD GLU A 88 5.704 12.092 -10.383 1.00 63.45 C ATOM 1392 OE1 GLU A 88 5.911 11.700 -11.550 1.00 70.13 O ATOM 1393 OE2 GLU A 88 6.285 13.077 -9.879 1.00 63.03 O ATOM 0 H GLU A 88 7.444 8.886 -7.490 1.00 23.20 H new ATOM 0 HA GLU A 88 6.510 11.677 -7.791 1.00 30.12 H new ATOM 0 HB2 GLU A 88 5.871 9.548 -9.480 1.00 24.10 H new ATOM 0 HB3 GLU A 88 4.535 9.566 -8.346 1.00 24.10 H new ATOM 0 HG2 GLU A 88 3.902 10.958 -10.174 1.00 24.05 H new ATOM 0 HG3 GLU A 88 4.240 12.024 -8.825 1.00 24.05 H new ATOM 1400 N GLY A 89 4.519 11.158 -6.080 1.00 13.21 N ATOM 1401 CA GLY A 89 3.804 11.055 -4.821 1.00 51.31 C ATOM 1402 C GLY A 89 4.320 12.030 -3.781 1.00 75.03 C ATOM 1403 O GLY A 89 5.115 12.922 -4.076 1.00 75.10 O ATOM 0 H GLY A 89 4.119 11.817 -6.748 1.00 13.21 H new ATOM 0 HA2 GLY A 89 2.743 11.239 -4.993 1.00 51.31 H new ATOM 0 HA3 GLY A 89 3.893 10.038 -4.438 1.00 51.31 H new ATOM 1407 N PRO A 90 3.862 11.864 -2.530 1.00 63.15 N ATOM 1408 CA PRO A 90 2.916 10.806 -2.168 1.00 5.42 C ATOM 1409 C PRO A 90 1.526 11.046 -2.751 1.00 32.11 C ATOM 1410 O PRO A 90 1.255 12.106 -3.315 1.00 23.23 O ATOM 1411 CB PRO A 90 2.873 10.876 -0.640 1.00 55.22 C ATOM 1412 CG PRO A 90 3.254 12.279 -0.314 1.00 74.30 C ATOM 1413 CD PRO A 90 4.233 12.699 -1.376 1.00 11.12 C ATOM 0 HA PRO A 90 3.223 9.835 -2.556 1.00 5.42 H new ATOM 0 HB2 PRO A 90 1.879 10.637 -0.261 1.00 55.22 H new ATOM 0 HB3 PRO A 90 3.565 10.163 -0.191 1.00 55.22 H new ATOM 0 HG2 PRO A 90 2.380 12.930 -0.310 1.00 74.30 H new ATOM 0 HG3 PRO A 90 3.703 12.341 0.677 1.00 74.30 H new ATOM 0 HD2 PRO A 90 4.147 13.761 -1.604 1.00 11.12 H new ATOM 0 HD3 PRO A 90 5.263 12.522 -1.066 1.00 11.12 H new ATOM 1421 N TRP A 91 0.652 10.058 -2.609 1.00 52.30 N ATOM 1422 CA TRP A 91 -0.710 10.162 -3.122 1.00 33.34 C ATOM 1423 C TRP A 91 -1.707 9.537 -2.151 1.00 62.04 C ATOM 1424 O TRP A 91 -1.511 8.415 -1.686 1.00 32.51 O ATOM 1425 CB TRP A 91 -0.816 9.484 -4.489 1.00 34.54 C ATOM 1426 CG TRP A 91 -0.192 10.278 -5.595 1.00 51.35 C ATOM 1427 CD1 TRP A 91 -0.224 11.634 -5.751 1.00 63.11 C ATOM 1428 CD2 TRP A 91 0.557 9.764 -6.701 1.00 45.53 C ATOM 1429 NE1 TRP A 91 0.459 11.995 -6.887 1.00 53.32 N ATOM 1430 CE2 TRP A 91 0.948 10.865 -7.488 1.00 51.54 C ATOM 1431 CE3 TRP A 91 0.937 8.480 -7.104 1.00 61.53 C ATOM 1432 CZ2 TRP A 91 1.699 10.719 -8.652 1.00 2.52 C ATOM 1433 CZ3 TRP A 91 1.682 8.337 -8.260 1.00 20.24 C ATOM 1434 CH2 TRP A 91 2.057 9.451 -9.023 1.00 10.02 C ATOM 0 H TRP A 91 0.861 9.175 -2.143 1.00 52.30 H new ATOM 0 HA TRP A 91 -0.951 11.220 -3.230 1.00 33.34 H new ATOM 0 HB2 TRP A 91 -0.338 8.506 -4.439 1.00 34.54 H new ATOM 0 HB3 TRP A 91 -1.867 9.314 -4.722 1.00 34.54 H new ATOM 0 HD1 TRP A 91 -0.715 12.323 -5.079 1.00 63.11 H new ATOM 0 HE1 TRP A 91 0.582 12.949 -7.227 1.00 53.32 H new ATOM 0 HE3 TRP A 91 0.654 7.615 -6.522 1.00 61.53 H new ATOM 0 HZ2 TRP A 91 1.989 11.576 -9.241 1.00 2.52 H new ATOM 0 HZ3 TRP A 91 1.980 7.350 -8.580 1.00 20.24 H new ATOM 0 HH2 TRP A 91 2.640 9.306 -9.921 1.00 10.02 H new ATOM 1445 N GLU A 92 -2.774 10.270 -1.852 1.00 34.11 N ATOM 1446 CA GLU A 92 -3.800 9.786 -0.936 1.00 4.21 C ATOM 1447 C GLU A 92 -5.148 9.672 -1.642 1.00 13.53 C ATOM 1448 O GLU A 92 -5.541 10.556 -2.402 1.00 62.43 O ATOM 1449 CB GLU A 92 -3.921 10.720 0.270 1.00 45.33 C ATOM 1450 CG GLU A 92 -2.969 10.377 1.403 1.00 74.44 C ATOM 1451 CD GLU A 92 -2.837 11.499 2.414 1.00 14.32 C ATOM 1452 OE1 GLU A 92 -3.100 12.663 2.047 1.00 34.22 O ATOM 1453 OE2 GLU A 92 -2.471 11.212 3.573 1.00 75.14 O ATOM 0 H GLU A 92 -2.951 11.201 -2.230 1.00 34.11 H new ATOM 0 HA GLU A 92 -3.505 8.795 -0.590 1.00 4.21 H new ATOM 0 HB2 GLU A 92 -3.733 11.744 -0.054 1.00 45.33 H new ATOM 0 HB3 GLU A 92 -4.944 10.686 0.644 1.00 45.33 H new ATOM 0 HG2 GLU A 92 -3.321 9.477 1.908 1.00 74.44 H new ATOM 0 HG3 GLU A 92 -1.987 10.148 0.990 1.00 74.44 H new ATOM 1460 N TYR A 93 -5.853 8.575 -1.383 1.00 41.24 N ATOM 1461 CA TYR A 93 -7.156 8.343 -1.994 1.00 41.24 C ATOM 1462 C TYR A 93 -8.112 7.683 -1.006 1.00 31.33 C ATOM 1463 O TYR A 93 -7.689 7.108 -0.003 1.00 61.33 O ATOM 1464 CB TYR A 93 -7.009 7.466 -3.240 1.00 22.13 C ATOM 1465 CG TYR A 93 -6.241 8.131 -4.360 1.00 40.32 C ATOM 1466 CD1 TYR A 93 -6.858 9.048 -5.202 1.00 73.54 C ATOM 1467 CD2 TYR A 93 -4.901 7.840 -4.577 1.00 62.21 C ATOM 1468 CE1 TYR A 93 -6.160 9.658 -6.227 1.00 42.52 C ATOM 1469 CE2 TYR A 93 -4.195 8.446 -5.600 1.00 14.35 C ATOM 1470 CZ TYR A 93 -4.829 9.353 -6.421 1.00 65.13 C ATOM 1471 OH TYR A 93 -4.130 9.957 -7.442 1.00 25.34 O ATOM 0 H TYR A 93 -5.544 7.834 -0.755 1.00 41.24 H new ATOM 0 HA TYR A 93 -7.570 9.309 -2.283 1.00 41.24 H new ATOM 0 HB2 TYR A 93 -6.505 6.540 -2.965 1.00 22.13 H new ATOM 0 HB3 TYR A 93 -8.001 7.194 -3.602 1.00 22.13 H new ATOM 0 HD1 TYR A 93 -7.900 9.288 -5.053 1.00 73.54 H new ATOM 0 HD2 TYR A 93 -4.402 7.128 -3.936 1.00 62.21 H new ATOM 0 HE1 TYR A 93 -6.654 10.369 -6.872 1.00 42.52 H new ATOM 0 HE2 TYR A 93 -3.153 8.210 -5.755 1.00 14.35 H new ATOM 0 HH TYR A 93 -3.205 9.634 -7.441 1.00 25.34 H new ATOM 1481 N GLY A 94 -9.407 7.770 -1.296 1.00 22.35 N ATOM 1482 CA GLY A 94 -10.405 7.178 -0.423 1.00 71.22 C ATOM 1483 C GLY A 94 -10.939 8.162 0.598 1.00 22.02 C ATOM 1484 O GLY A 94 -10.982 9.365 0.346 1.00 73.42 O ATOM 0 H GLY A 94 -9.783 8.240 -2.120 1.00 22.35 H new ATOM 0 HA2 GLY A 94 -11.231 6.800 -1.025 1.00 71.22 H new ATOM 0 HA3 GLY A 94 -9.970 6.323 0.094 1.00 71.22 H new ATOM 1488 N GLU A 95 -11.351 7.648 1.754 1.00 43.03 N ATOM 1489 CA GLU A 95 -11.888 8.491 2.814 1.00 31.14 C ATOM 1490 C GLU A 95 -10.937 9.642 3.130 1.00 41.04 C ATOM 1491 O GLU A 95 -11.344 10.662 3.685 1.00 13.31 O ATOM 1492 CB GLU A 95 -12.139 7.663 4.077 1.00 70.12 C ATOM 1493 CG GLU A 95 -12.488 8.500 5.295 1.00 11.21 C ATOM 1494 CD GLU A 95 -13.561 7.861 6.154 1.00 13.32 C ATOM 1495 OE1 GLU A 95 -13.386 6.690 6.550 1.00 52.30 O ATOM 1496 OE2 GLU A 95 -14.577 8.533 6.433 1.00 43.14 O ATOM 0 H GLU A 95 -11.323 6.653 1.979 1.00 43.03 H new ATOM 0 HA GLU A 95 -12.833 8.908 2.466 1.00 31.14 H new ATOM 0 HB2 GLU A 95 -12.950 6.960 3.885 1.00 70.12 H new ATOM 0 HB3 GLU A 95 -11.250 7.072 4.296 1.00 70.12 H new ATOM 0 HG2 GLU A 95 -11.591 8.653 5.895 1.00 11.21 H new ATOM 0 HG3 GLU A 95 -12.826 9.484 4.970 1.00 11.21 H new