USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 795 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 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0.0272 USER MOD Set 2.1: A 58 MET CE :methyl 164:sc= -0.132 (180deg=-0.556) USER MOD Set 2.2: A 98 THR OG1 : rot -130:sc= 0.983 USER MOD Set 2.3: A 127 SER OG : rot 116:sc= 1.15 USER MOD Set 3.1: A 91 SER OG : rot 180:sc= -0.423 USER MOD Set 3.2: A 131 THR OG1 : rot 123:sc= 0.0138 USER MOD Set 4.1: A 68 SER OG : rot -108:sc= 1.3 USER MOD Set 4.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 126 HIS : no HD1:sc= -3.4! C(o=-2.1!,f=-4.7!) USER MOD Set 5.1: A 38 THR OG1 : rot -167:sc= 1.13 USER MOD Set 5.2: A 47 GLN : amide:sc= -0.212 K(o=0.92,f=-4.1) USER MOD Set 6.1: A 40 SER OG : rot 157:sc= 1.48 USER MOD Set 6.2: A 45 GLN : amide:sc= -0.0384 K(o=1.4,f=-2.3!) USER MOD Single : A 27 SER OG : rot 32:sc= 1.13 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.085) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 42 SER OG : rot 133:sc= 0.629 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.145 (180deg=-0.583) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.948 K(o=0.95,f=-3.6!) USER MOD Single : A 61 SER OG : rot 73:sc= -0.0355 USER MOD Single : A 62 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.2) USER MOD Single : A 63 SER OG : rot 99:sc= 1.84 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0209 (180deg=-0.227) USER MOD Single : A 70 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 75 SER OG : rot -60:sc= 0.278 USER MOD Single : A 76 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.48) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00594 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.77) USER MOD Single : A 85 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0466 (180deg=-0.307) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 103 SER OG : rot -122:sc= 1.4 USER MOD Single : A 104 SER OG : rot 150:sc= 0.721 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 120 SER OG : rot 130:sc= -0.18 USER MOD Single : A 122 ASN : amide:sc= -0.829 K(o=-0.83,f=-8.1!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.608 -1.575 11.869 1.00 0.00 N ATOM 24 CA LEU A 26 -6.313 -1.161 11.344 1.00 0.00 C ATOM 25 C LEU A 26 -6.500 -0.230 10.156 1.00 0.00 C ATOM 26 O LEU A 26 -6.671 -0.681 9.026 1.00 0.00 O ATOM 27 CB LEU A 26 -5.482 -2.376 10.911 1.00 0.00 C ATOM 28 CG LEU A 26 -4.997 -3.294 12.037 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.275 -4.497 11.459 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.077 -2.544 12.985 1.00 0.00 C ATOM 0 HA LEU A 26 -5.782 -0.637 12.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.077 -2.969 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.612 -2.018 10.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.867 -3.636 12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.935 -5.142 12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.954 -5.053 10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.416 -4.161 10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.745 -3.215 13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.211 -2.174 12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.614 -1.703 13.424 1.00 0.00 H new ATOM 42 N SER A 27 -6.485 1.066 10.405 1.00 0.00 N ATOM 43 CA SER A 27 -6.599 2.039 9.334 1.00 0.00 C ATOM 44 C SER A 27 -5.352 2.910 9.312 1.00 0.00 C ATOM 45 O SER A 27 -4.708 3.104 10.342 1.00 0.00 O ATOM 46 CB SER A 27 -7.852 2.896 9.526 1.00 0.00 C ATOM 47 OG SER A 27 -8.124 3.678 8.374 1.00 0.00 O ATOM 0 H SER A 27 -6.395 1.469 11.338 1.00 0.00 H new ATOM 0 HA SER A 27 -6.688 1.519 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.705 2.253 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.720 3.549 10.388 1.00 0.00 H new ATOM 0 HG SER A 27 -7.831 3.194 7.574 1.00 0.00 H new ATOM 53 N TRP A 28 -5.016 3.448 8.140 1.00 0.00 N ATOM 54 CA TRP A 28 -3.788 4.226 7.983 1.00 0.00 C ATOM 55 C TRP A 28 -3.903 5.612 8.622 1.00 0.00 C ATOM 56 O TRP A 28 -3.062 6.482 8.395 1.00 0.00 O ATOM 57 CB TRP A 28 -3.389 4.337 6.499 1.00 0.00 C ATOM 58 CG TRP A 28 -4.388 5.023 5.599 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.338 5.945 5.949 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.506 4.853 4.180 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.042 6.344 4.839 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.549 5.690 3.740 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.828 4.068 3.235 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.930 5.766 2.401 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.209 4.146 1.908 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.249 4.990 1.502 1.00 0.00 C ATOM 0 H TRP A 28 -5.573 3.360 7.290 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.999 3.690 8.510 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.443 4.874 6.436 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.211 3.333 6.114 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.509 6.306 6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.808 7.018 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.023 3.415 3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.734 6.414 2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.695 3.545 1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.520 5.030 0.457 1.00 0.00 H new ATOM 77 N TYR A 29 -4.947 5.808 9.415 1.00 0.00 N ATOM 78 CA TYR A 29 -5.145 7.058 10.126 1.00 0.00 C ATOM 79 C TYR A 29 -4.921 6.849 11.622 1.00 0.00 C ATOM 80 O TYR A 29 -4.908 7.805 12.402 1.00 0.00 O ATOM 81 CB TYR A 29 -6.558 7.598 9.859 1.00 0.00 C ATOM 82 CG TYR A 29 -6.808 8.981 10.424 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.164 10.095 9.897 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.682 9.173 11.489 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.383 11.357 10.412 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.906 10.435 12.009 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.255 11.523 11.467 1.00 0.00 C ATOM 88 OH TYR A 29 -7.474 12.780 11.984 1.00 0.00 O ATOM 0 H TYR A 29 -5.673 5.111 9.581 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.423 7.791 9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.730 7.620 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.286 6.907 10.284 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.480 9.971 9.070 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.194 8.323 11.917 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.873 12.211 9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.588 10.568 12.836 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.116 12.723 12.722 1.00 0.00 H new ATOM 98 N ASP A 30 -4.723 5.594 12.018 1.00 0.00 N ATOM 99 CA ASP A 30 -4.522 5.265 13.421 1.00 0.00 C ATOM 100 C ASP A 30 -3.120 5.653 13.866 1.00 0.00 C ATOM 101 O ASP A 30 -2.165 5.497 13.103 1.00 0.00 O ATOM 102 CB ASP A 30 -4.752 3.773 13.695 1.00 0.00 C ATOM 103 CG ASP A 30 -6.211 3.368 13.618 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.021 3.891 14.413 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.552 2.491 12.792 1.00 0.00 O ATOM 0 H ASP A 30 -4.698 4.793 11.387 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.256 5.834 13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.181 3.186 12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.366 3.528 14.685 1.00 0.00 H new ATOM 110 N PRO A 31 -2.976 6.162 15.096 1.00 0.00 N ATOM 111 CA PRO A 31 -1.708 6.722 15.580 1.00 0.00 C ATOM 112 C PRO A 31 -0.534 5.764 15.404 1.00 0.00 C ATOM 113 O PRO A 31 0.502 6.115 14.825 1.00 0.00 O ATOM 114 CB PRO A 31 -1.970 6.966 17.069 1.00 0.00 C ATOM 115 CG PRO A 31 -3.448 7.092 17.184 1.00 0.00 C ATOM 116 CD PRO A 31 -4.033 6.211 16.119 1.00 0.00 C ATOM 0 HA PRO A 31 -1.429 7.617 15.025 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.596 6.142 17.676 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.469 7.870 17.415 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.788 6.784 18.173 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.761 8.127 17.047 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.267 5.218 16.503 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.959 6.624 15.720 1.00 0.00 H new ATOM 124 N ASP A 32 -0.727 4.542 15.868 1.00 0.00 N ATOM 125 CA ASP A 32 0.343 3.559 15.927 1.00 0.00 C ATOM 126 C ASP A 32 0.320 2.619 14.727 1.00 0.00 C ATOM 127 O ASP A 32 0.888 1.526 14.777 1.00 0.00 O ATOM 128 CB ASP A 32 0.236 2.747 17.220 1.00 0.00 C ATOM 129 CG ASP A 32 -1.024 1.901 17.282 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.134 2.471 17.202 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.911 0.668 17.436 1.00 0.00 O ATOM 0 H ASP A 32 -1.625 4.203 16.213 1.00 0.00 H new ATOM 0 HA ASP A 32 1.288 4.102 15.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.108 2.099 17.310 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.254 3.426 18.072 1.00 0.00 H new ATOM 136 N PHE A 33 -0.330 3.037 13.649 1.00 0.00 N ATOM 137 CA PHE A 33 -0.367 2.228 12.440 1.00 0.00 C ATOM 138 C PHE A 33 1.038 2.099 11.866 1.00 0.00 C ATOM 139 O PHE A 33 1.749 3.091 11.704 1.00 0.00 O ATOM 140 CB PHE A 33 -1.311 2.834 11.399 1.00 0.00 C ATOM 141 CG PHE A 33 -1.539 1.943 10.210 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.280 0.778 10.333 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.012 2.269 8.971 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.491 -0.044 9.244 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.220 1.451 7.878 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.961 0.293 8.016 1.00 0.00 C ATOM 0 H PHE A 33 -0.834 3.922 13.587 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.745 1.239 12.698 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.270 3.050 11.871 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.902 3.785 11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.697 0.510 11.292 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.432 3.173 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.070 -0.949 9.353 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.804 1.716 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.125 -0.348 7.163 1.00 0.00 H new ATOM 156 N GLN A 34 1.442 0.872 11.578 1.00 0.00 N ATOM 157 CA GLN A 34 2.792 0.608 11.112 1.00 0.00 C ATOM 158 C GLN A 34 2.805 0.351 9.611 1.00 0.00 C ATOM 159 O GLN A 34 2.211 -0.618 9.131 1.00 0.00 O ATOM 160 CB GLN A 34 3.380 -0.592 11.853 1.00 0.00 C ATOM 161 CG GLN A 34 3.556 -0.375 13.348 1.00 0.00 C ATOM 162 CD GLN A 34 4.546 0.728 13.673 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.746 0.482 13.796 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.050 1.946 13.831 1.00 0.00 N ATOM 0 H GLN A 34 0.853 0.043 11.659 1.00 0.00 H new ATOM 0 HA GLN A 34 3.403 1.487 11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.733 -1.455 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.348 -0.836 11.416 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.590 -0.131 13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.892 -1.305 13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.049 2.107 13.720 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.669 2.723 14.063 1.00 0.00 H new ATOM 173 N ALA A 35 3.483 1.224 8.879 1.00 0.00 N ATOM 174 CA ALA A 35 3.606 1.091 7.435 1.00 0.00 C ATOM 175 C ALA A 35 4.954 1.628 6.971 1.00 0.00 C ATOM 176 O ALA A 35 5.552 2.471 7.637 1.00 0.00 O ATOM 177 CB ALA A 35 2.471 1.824 6.731 1.00 0.00 C ATOM 0 H ALA A 35 3.960 2.038 9.266 1.00 0.00 H new ATOM 0 HA ALA A 35 3.543 0.034 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.580 1.713 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.516 1.402 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.504 2.882 6.992 1.00 0.00 H new ATOM 183 N ARG A 36 5.432 1.128 5.839 1.00 0.00 N ATOM 184 CA ARG A 36 6.702 1.567 5.283 1.00 0.00 C ATOM 185 C ARG A 36 6.690 1.381 3.772 1.00 0.00 C ATOM 186 O ARG A 36 5.845 0.662 3.239 1.00 0.00 O ATOM 187 CB ARG A 36 7.865 0.772 5.891 1.00 0.00 C ATOM 188 CG ARG A 36 7.886 -0.686 5.462 1.00 0.00 C ATOM 189 CD ARG A 36 9.078 -1.443 6.026 1.00 0.00 C ATOM 190 NE ARG A 36 9.098 -2.823 5.550 1.00 0.00 N ATOM 191 CZ ARG A 36 9.419 -3.871 6.298 1.00 0.00 C ATOM 192 NH1 ARG A 36 9.799 -3.699 7.557 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.359 -5.094 5.791 1.00 0.00 N ATOM 0 H ARG A 36 4.956 0.415 5.287 1.00 0.00 H new ATOM 0 HA ARG A 36 6.840 2.621 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.806 1.241 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.802 0.823 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.965 -1.170 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.907 -0.741 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.001 -0.942 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.038 -1.431 7.115 1.00 0.00 H new ATOM 0 HE ARG A 36 8.848 -2.993 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.845 -2.760 7.952 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.045 -4.506 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.066 -5.231 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.606 -5.898 6.368 1.00 0.00 H new ATOM 206 N LEU A 37 7.622 2.023 3.090 1.00 0.00 N ATOM 207 CA LEU A 37 7.725 1.904 1.644 1.00 0.00 C ATOM 208 C LEU A 37 8.976 1.121 1.262 1.00 0.00 C ATOM 209 O LEU A 37 9.868 1.641 0.593 1.00 0.00 O ATOM 210 CB LEU A 37 7.736 3.287 1.002 1.00 0.00 C ATOM 211 CG LEU A 37 6.461 4.108 1.216 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.611 5.490 0.612 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.262 3.403 0.607 1.00 0.00 C ATOM 0 H LEU A 37 8.320 2.634 3.514 1.00 0.00 H new ATOM 0 HA LEU A 37 6.857 1.359 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.583 3.848 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.902 3.173 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 37 6.299 4.209 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.695 6.059 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.447 6.005 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.799 5.401 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.366 4.002 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.422 3.272 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.136 2.428 1.077 1.00 0.00 H new ATOM 225 N THR A 38 9.013 -0.132 1.723 1.00 0.00 N ATOM 226 CA THR A 38 10.106 -1.077 1.455 1.00 0.00 C ATOM 227 C THR A 38 11.500 -0.475 1.688 1.00 0.00 C ATOM 228 O THR A 38 11.663 0.528 2.388 1.00 0.00 O ATOM 229 CB THR A 38 10.011 -1.663 0.020 1.00 0.00 C ATOM 230 OG1 THR A 38 10.037 -0.629 -0.972 1.00 0.00 O ATOM 231 CG2 THR A 38 8.740 -2.481 -0.139 1.00 0.00 C ATOM 0 H THR A 38 8.273 -0.527 2.303 1.00 0.00 H new ATOM 0 HA THR A 38 9.980 -1.883 2.178 1.00 0.00 H new ATOM 0 HB THR A 38 10.879 -2.306 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.772 -1.001 -1.839 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.691 -2.884 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.743 -3.302 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.873 -1.845 0.041 1.00 0.00 H new ATOM 239 N ARG A 39 12.510 -1.145 1.146 1.00 0.00 N ATOM 240 CA ARG A 39 13.885 -0.665 1.206 1.00 0.00 C ATOM 241 C ARG A 39 14.291 -0.108 -0.158 1.00 0.00 C ATOM 242 O ARG A 39 15.417 -0.307 -0.615 1.00 0.00 O ATOM 243 CB ARG A 39 14.827 -1.807 1.598 1.00 0.00 C ATOM 244 CG ARG A 39 14.486 -2.485 2.920 1.00 0.00 C ATOM 245 CD ARG A 39 14.996 -1.702 4.121 1.00 0.00 C ATOM 246 NE ARG A 39 14.158 -0.551 4.455 1.00 0.00 N ATOM 247 CZ ARG A 39 14.646 0.656 4.724 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.931 0.905 4.537 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.857 1.620 5.164 1.00 0.00 N ATOM 0 H ARG A 39 12.400 -2.032 0.655 1.00 0.00 H new ATOM 0 HA ARG A 39 13.954 0.122 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.817 -2.557 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.844 -1.418 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.405 -2.601 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.916 -3.487 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.050 -2.366 4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.010 -1.358 3.919 1.00 0.00 H new ATOM 0 HE ARG A 39 13.147 -0.681 4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.547 0.171 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.306 1.831 4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.862 1.442 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.243 2.542 5.367 1.00 0.00 H new ATOM 262 N SER A 40 13.355 0.582 -0.798 1.00 0.00 N ATOM 263 CA SER A 40 13.534 1.086 -2.156 1.00 0.00 C ATOM 264 C SER A 40 14.726 2.041 -2.259 1.00 0.00 C ATOM 265 O SER A 40 15.776 1.690 -2.804 1.00 0.00 O ATOM 266 CB SER A 40 12.246 1.791 -2.589 1.00 0.00 C ATOM 267 OG SER A 40 11.823 2.695 -1.581 1.00 0.00 O ATOM 0 H SER A 40 12.448 0.809 -0.390 1.00 0.00 H new ATOM 0 HA SER A 40 13.745 0.245 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.412 2.328 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.465 1.055 -2.779 1.00 0.00 H new ATOM 0 HG SER A 40 11.256 3.387 -1.980 1.00 0.00 H new ATOM 273 N ASN A 41 14.549 3.240 -1.728 1.00 0.00 N ATOM 274 CA ASN A 41 15.581 4.271 -1.760 1.00 0.00 C ATOM 275 C ASN A 41 15.162 5.429 -0.870 1.00 0.00 C ATOM 276 O ASN A 41 15.823 5.744 0.118 1.00 0.00 O ATOM 277 CB ASN A 41 15.804 4.773 -3.193 1.00 0.00 C ATOM 278 CG ASN A 41 16.858 5.864 -3.278 1.00 0.00 C ATOM 279 OD1 ASN A 41 17.812 5.893 -2.496 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.690 6.774 -4.225 1.00 0.00 N ATOM 0 H ASN A 41 13.688 3.528 -1.263 1.00 0.00 H new ATOM 0 HA ASN A 41 16.516 3.844 -1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.103 3.936 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.863 5.152 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.363 7.534 -4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.888 6.715 -4.852 1.00 0.00 H new ATOM 287 N SER A 42 14.047 6.043 -1.223 1.00 0.00 N ATOM 288 CA SER A 42 13.464 7.098 -0.422 1.00 0.00 C ATOM 289 C SER A 42 12.317 6.513 0.379 1.00 0.00 C ATOM 290 O SER A 42 11.696 5.539 -0.040 1.00 0.00 O ATOM 291 CB SER A 42 12.969 8.238 -1.320 1.00 0.00 C ATOM 292 OG SER A 42 12.210 9.188 -0.587 1.00 0.00 O ATOM 0 H SER A 42 13.524 5.824 -2.070 1.00 0.00 H new ATOM 0 HA SER A 42 14.213 7.509 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.822 8.733 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.360 7.829 -2.126 1.00 0.00 H new ATOM 0 HG SER A 42 12.516 10.092 -0.808 1.00 0.00 H new ATOM 298 N LYS A 43 12.041 7.088 1.532 1.00 0.00 N ATOM 299 CA LYS A 43 10.974 6.587 2.377 1.00 0.00 C ATOM 300 C LYS A 43 9.656 7.234 2.007 1.00 0.00 C ATOM 301 O LYS A 43 8.664 7.081 2.708 1.00 0.00 O ATOM 302 CB LYS A 43 11.283 6.821 3.853 1.00 0.00 C ATOM 303 CG LYS A 43 12.449 5.998 4.387 1.00 0.00 C ATOM 304 CD LYS A 43 12.124 4.507 4.475 1.00 0.00 C ATOM 305 CE LYS A 43 12.184 3.803 3.121 1.00 0.00 C ATOM 306 NZ LYS A 43 13.515 3.963 2.467 1.00 0.00 N ATOM 0 H LYS A 43 12.537 7.898 1.905 1.00 0.00 H new ATOM 0 HA LYS A 43 10.895 5.512 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.501 7.878 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.393 6.592 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.315 6.140 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.725 6.365 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.824 4.028 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.128 4.382 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.970 2.742 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.409 4.205 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.612 3.265 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.595 4.922 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.267 3.813 3.169 1.00 0.00 H new ATOM 319 N CYS A 44 9.656 7.958 0.899 1.00 0.00 N ATOM 320 CA CYS A 44 8.443 8.570 0.395 1.00 0.00 C ATOM 321 C CYS A 44 8.116 8.062 -1.003 1.00 0.00 C ATOM 322 O CYS A 44 7.264 8.617 -1.692 1.00 0.00 O ATOM 323 CB CYS A 44 8.571 10.091 0.411 1.00 0.00 C ATOM 324 SG CYS A 44 8.759 10.773 2.090 1.00 0.00 S ATOM 0 H CYS A 44 10.486 8.135 0.333 1.00 0.00 H new ATOM 0 HA CYS A 44 7.618 8.289 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.430 10.384 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.689 10.529 -0.056 1.00 0.00 H new ATOM 329 N GLN A 45 8.790 6.995 -1.415 1.00 0.00 N ATOM 330 CA GLN A 45 8.472 6.328 -2.668 1.00 0.00 C ATOM 331 C GLN A 45 8.875 4.861 -2.607 1.00 0.00 C ATOM 332 O GLN A 45 9.906 4.517 -2.045 1.00 0.00 O ATOM 333 CB GLN A 45 9.112 7.047 -3.873 1.00 0.00 C ATOM 334 CG GLN A 45 10.576 7.451 -3.704 1.00 0.00 C ATOM 335 CD GLN A 45 11.569 6.372 -4.108 1.00 0.00 C ATOM 336 OE1 GLN A 45 12.025 5.581 -3.285 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.920 6.336 -5.380 1.00 0.00 N ATOM 0 H GLN A 45 9.561 6.574 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 45 7.393 6.375 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.032 6.397 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.530 7.943 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.766 8.345 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.750 7.718 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.523 7.007 -6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.588 5.637 -5.705 1.00 0.00 H new ATOM 346 N GLY A 46 8.032 3.997 -3.140 1.00 0.00 N ATOM 347 CA GLY A 46 8.335 2.581 -3.154 1.00 0.00 C ATOM 348 C GLY A 46 7.086 1.737 -3.072 1.00 0.00 C ATOM 349 O GLY A 46 6.016 2.166 -3.514 1.00 0.00 O ATOM 0 H GLY A 46 7.140 4.249 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.880 2.335 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.990 2.342 -2.317 1.00 0.00 H new ATOM 353 N GLN A 47 7.211 0.546 -2.506 1.00 0.00 N ATOM 354 CA GLN A 47 6.086 -0.368 -2.394 1.00 0.00 C ATOM 355 C GLN A 47 5.539 -0.334 -0.973 1.00 0.00 C ATOM 356 O GLN A 47 6.301 -0.335 -0.010 1.00 0.00 O ATOM 357 CB GLN A 47 6.496 -1.799 -2.773 1.00 0.00 C ATOM 358 CG GLN A 47 7.016 -1.950 -4.201 1.00 0.00 C ATOM 359 CD GLN A 47 8.422 -1.399 -4.386 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.240 -1.433 -3.469 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.706 -0.875 -5.567 1.00 0.00 N ATOM 0 H GLN A 47 8.084 0.190 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 47 5.309 -0.048 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.267 -2.138 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.637 -2.457 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.007 -3.005 -4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.339 -1.437 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.000 -0.865 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.631 -0.481 -5.741 1.00 0.00 H new ATOM 370 N LEU A 48 4.223 -0.299 -0.845 1.00 0.00 N ATOM 371 CA LEU A 48 3.601 -0.157 0.462 1.00 0.00 C ATOM 372 C LEU A 48 3.584 -1.479 1.220 1.00 0.00 C ATOM 373 O LEU A 48 2.915 -2.434 0.817 1.00 0.00 O ATOM 374 CB LEU A 48 2.172 0.384 0.327 1.00 0.00 C ATOM 375 CG LEU A 48 1.454 0.677 1.651 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.139 1.813 2.402 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.011 1.006 1.402 1.00 0.00 C ATOM 0 H LEU A 48 3.568 -0.366 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 48 4.200 0.555 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.202 1.301 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.580 -0.337 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 48 1.507 -0.218 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.611 2.001 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.171 1.537 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.125 2.715 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.504 1.211 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.083 1.883 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.497 0.160 0.916 1.00 0.00 H new ATOM 389 N GLU A 49 4.344 -1.525 2.304 1.00 0.00 N ATOM 390 CA GLU A 49 4.294 -2.642 3.234 1.00 0.00 C ATOM 391 C GLU A 49 3.576 -2.207 4.499 1.00 0.00 C ATOM 392 O GLU A 49 3.810 -1.106 5.007 1.00 0.00 O ATOM 393 CB GLU A 49 5.691 -3.143 3.611 1.00 0.00 C ATOM 394 CG GLU A 49 6.447 -3.841 2.496 1.00 0.00 C ATOM 395 CD GLU A 49 7.850 -4.217 2.923 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.716 -3.323 2.981 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.092 -5.404 3.233 1.00 0.00 O ATOM 0 H GLU A 49 5.008 -0.795 2.562 1.00 0.00 H new ATOM 0 HA GLU A 49 3.763 -3.457 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.283 -2.295 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.599 -3.830 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.905 -4.738 2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.494 -3.189 1.624 1.00 0.00 H new ATOM 404 N VAL A 50 2.705 -3.059 5.000 1.00 0.00 N ATOM 405 CA VAL A 50 1.981 -2.772 6.225 1.00 0.00 C ATOM 406 C VAL A 50 2.211 -3.881 7.239 1.00 0.00 C ATOM 407 O VAL A 50 2.505 -5.023 6.871 1.00 0.00 O ATOM 408 CB VAL A 50 0.464 -2.602 5.979 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.203 -1.447 5.027 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.152 -3.888 5.442 1.00 0.00 C ATOM 0 H VAL A 50 2.480 -3.959 4.577 1.00 0.00 H new ATOM 0 HA VAL A 50 2.363 -1.828 6.613 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.008 -2.376 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.870 -1.343 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.596 -0.526 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.695 -1.642 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.219 -3.739 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.326 -4.154 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.004 -4.691 6.164 1.00 0.00 H new ATOM 420 N TYR A 51 2.105 -3.536 8.510 1.00 0.00 N ATOM 421 CA TYR A 51 2.277 -4.512 9.570 1.00 0.00 C ATOM 422 C TYR A 51 0.930 -5.058 10.012 1.00 0.00 C ATOM 423 O TYR A 51 0.126 -4.347 10.618 1.00 0.00 O ATOM 424 CB TYR A 51 3.010 -3.894 10.767 1.00 0.00 C ATOM 425 CG TYR A 51 3.195 -4.846 11.936 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.262 -5.738 11.973 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.296 -4.856 13.000 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.427 -6.609 13.034 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.456 -5.725 14.061 1.00 0.00 C ATOM 430 CZ TYR A 51 3.521 -6.599 14.073 1.00 0.00 C ATOM 431 OH TYR A 51 3.682 -7.468 15.131 1.00 0.00 O ATOM 0 H TYR A 51 1.901 -2.590 8.832 1.00 0.00 H new ATOM 0 HA TYR A 51 2.880 -5.332 9.180 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.988 -3.543 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.455 -3.020 11.108 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.973 -5.750 11.160 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.460 -4.173 12.995 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.262 -7.294 13.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.749 -5.720 14.878 1.00 0.00 H new ATOM 0 HH TYR A 51 2.959 -7.332 15.779 1.00 0.00 H new ATOM 441 N LEU A 52 0.685 -6.312 9.687 1.00 0.00 N ATOM 442 CA LEU A 52 -0.472 -7.016 10.203 1.00 0.00 C ATOM 443 C LEU A 52 -0.046 -7.815 11.425 1.00 0.00 C ATOM 444 O LEU A 52 1.110 -7.731 11.843 1.00 0.00 O ATOM 445 CB LEU A 52 -1.074 -7.952 9.146 1.00 0.00 C ATOM 446 CG LEU A 52 -1.508 -7.296 7.833 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.058 -8.348 6.883 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.552 -6.216 8.083 1.00 0.00 C ATOM 0 H LEU A 52 1.274 -6.866 9.066 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.239 -6.290 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.342 -8.726 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.939 -8.451 9.583 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.635 -6.826 7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.364 -7.872 5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.287 -9.090 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.918 -8.837 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.844 -5.765 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.427 -6.659 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.134 -5.449 8.735 1.00 0.00 H new ATOM 460 N LYS A 53 -0.945 -8.601 11.991 1.00 0.00 N ATOM 461 CA LYS A 53 -0.597 -9.409 13.149 1.00 0.00 C ATOM 462 C LYS A 53 0.430 -10.466 12.747 1.00 0.00 C ATOM 463 O LYS A 53 1.292 -10.856 13.540 1.00 0.00 O ATOM 464 CB LYS A 53 -1.850 -10.059 13.746 1.00 0.00 C ATOM 465 CG LYS A 53 -1.648 -10.588 15.153 1.00 0.00 C ATOM 466 CD LYS A 53 -2.971 -11.001 15.776 1.00 0.00 C ATOM 467 CE LYS A 53 -2.815 -11.349 17.248 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.118 -11.710 17.870 1.00 0.00 N ATOM 0 H LYS A 53 -1.910 -8.698 11.674 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.158 -8.769 13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.659 -9.329 13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.167 -10.878 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.971 -11.442 15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.176 -9.823 15.769 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.693 -10.191 15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.373 -11.860 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.119 -12.181 17.353 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.381 -10.501 17.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.972 -11.941 18.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.774 -10.907 17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.520 -12.535 17.380 1.00 0.00 H new ATOM 481 N ASP A 54 0.350 -10.889 11.490 1.00 0.00 N ATOM 482 CA ASP A 54 1.276 -11.871 10.933 1.00 0.00 C ATOM 483 C ASP A 54 2.612 -11.240 10.539 1.00 0.00 C ATOM 484 O ASP A 54 3.535 -11.941 10.117 1.00 0.00 O ATOM 485 CB ASP A 54 0.661 -12.574 9.716 1.00 0.00 C ATOM 486 CG ASP A 54 0.121 -11.607 8.677 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.920 -10.900 8.034 1.00 0.00 O ATOM 488 OD2 ASP A 54 -1.118 -11.552 8.509 1.00 0.00 O ATOM 0 H ASP A 54 -0.356 -10.563 10.830 1.00 0.00 H new ATOM 0 HA ASP A 54 1.465 -12.605 11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.415 -13.211 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.146 -13.226 10.050 1.00 0.00 H new ATOM 493 N GLY A 55 2.718 -9.926 10.671 1.00 0.00 N ATOM 494 CA GLY A 55 3.974 -9.262 10.399 1.00 0.00 C ATOM 495 C GLY A 55 3.889 -8.299 9.234 1.00 0.00 C ATOM 496 O GLY A 55 2.799 -7.899 8.823 1.00 0.00 O ATOM 0 H GLY A 55 1.958 -9.310 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.294 -8.720 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.738 -10.011 10.190 1.00 0.00 H new ATOM 500 N TRP A 56 5.046 -7.935 8.698 1.00 0.00 N ATOM 501 CA TRP A 56 5.125 -7.006 7.580 1.00 0.00 C ATOM 502 C TRP A 56 4.835 -7.718 6.271 1.00 0.00 C ATOM 503 O TRP A 56 5.420 -8.765 5.984 1.00 0.00 O ATOM 504 CB TRP A 56 6.512 -6.362 7.518 1.00 0.00 C ATOM 505 CG TRP A 56 6.778 -5.398 8.632 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.440 -5.649 9.798 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.385 -4.022 8.682 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.481 -4.514 10.568 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.841 -3.503 9.906 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.692 -3.177 7.810 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.629 -2.180 10.279 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.481 -1.866 8.182 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.949 -1.378 9.406 1.00 0.00 C ATOM 0 H TRP A 56 5.951 -8.273 9.024 1.00 0.00 H new ATOM 0 HA TRP A 56 4.376 -6.229 7.733 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.268 -7.146 7.540 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.619 -5.842 6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.869 -6.601 10.074 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.918 -4.437 11.486 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.328 -3.545 6.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.989 -1.800 11.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.945 -1.205 7.517 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.769 -0.346 9.667 1.00 0.00 H new ATOM 524 N HIS A 57 3.925 -7.159 5.489 1.00 0.00 N ATOM 525 CA HIS A 57 3.569 -7.726 4.197 1.00 0.00 C ATOM 526 C HIS A 57 3.257 -6.625 3.189 1.00 0.00 C ATOM 527 O HIS A 57 2.811 -5.537 3.556 1.00 0.00 O ATOM 528 CB HIS A 57 2.377 -8.682 4.339 1.00 0.00 C ATOM 529 CG HIS A 57 2.782 -10.085 4.680 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.362 -10.754 5.815 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.576 -10.954 4.010 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.882 -11.966 5.826 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.621 -12.115 4.742 1.00 0.00 N ATOM 0 H HIS A 57 3.416 -6.308 5.728 1.00 0.00 H new ATOM 0 HA HIS A 57 4.423 -8.293 3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.708 -8.306 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.813 -8.690 3.406 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.746 -10.370 6.532 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.080 -10.768 3.073 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.729 -12.711 6.593 1.00 0.00 H new ATOM 541 N MET A 58 3.502 -6.921 1.919 1.00 0.00 N ATOM 542 CA MET A 58 3.306 -5.956 0.844 1.00 0.00 C ATOM 543 C MET A 58 1.838 -5.896 0.451 1.00 0.00 C ATOM 544 O MET A 58 1.152 -6.913 0.465 1.00 0.00 O ATOM 545 CB MET A 58 4.145 -6.351 -0.375 1.00 0.00 C ATOM 546 CG MET A 58 5.647 -6.306 -0.137 1.00 0.00 C ATOM 547 SD MET A 58 6.576 -7.053 -1.493 1.00 0.00 S ATOM 548 CE MET A 58 5.978 -6.087 -2.878 1.00 0.00 C ATOM 0 H MET A 58 3.840 -7.831 1.606 1.00 0.00 H new ATOM 0 HA MET A 58 3.622 -4.974 1.197 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.867 -7.359 -0.683 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.899 -5.686 -1.203 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.962 -5.270 -0.010 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.882 -6.826 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.645 -6.220 -3.730 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.975 -6.419 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.949 -5.033 -2.601 1.00 0.00 H new ATOM 558 N VAL A 59 1.359 -4.713 0.101 1.00 0.00 N ATOM 559 CA VAL A 59 -0.031 -4.548 -0.305 1.00 0.00 C ATOM 560 C VAL A 59 -0.172 -4.700 -1.819 1.00 0.00 C ATOM 561 O VAL A 59 0.605 -4.129 -2.586 1.00 0.00 O ATOM 562 CB VAL A 59 -0.595 -3.175 0.132 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.055 -3.029 -0.279 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.453 -2.990 1.635 1.00 0.00 C ATOM 0 H VAL A 59 1.909 -3.854 0.089 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.606 -5.329 0.192 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.017 -2.401 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.427 -2.055 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.138 -3.112 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.646 -3.815 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.855 -2.018 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.002 -3.777 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.600 -3.042 1.910 1.00 0.00 H new ATOM 574 N CYS A 60 -1.150 -5.487 -2.242 1.00 0.00 N ATOM 575 CA CYS A 60 -1.420 -5.677 -3.658 1.00 0.00 C ATOM 576 C CYS A 60 -2.425 -4.629 -4.124 1.00 0.00 C ATOM 577 O CYS A 60 -3.373 -4.310 -3.406 1.00 0.00 O ATOM 578 CB CYS A 60 -1.964 -7.086 -3.908 1.00 0.00 C ATOM 579 SG CYS A 60 -2.013 -7.573 -5.664 1.00 0.00 S ATOM 0 H CYS A 60 -1.772 -6.006 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.494 -5.563 -4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.350 -7.802 -3.362 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.971 -7.152 -3.497 1.00 0.00 H new ATOM 584 N SER A 61 -2.204 -4.095 -5.321 1.00 0.00 N ATOM 585 CA SER A 61 -3.029 -3.016 -5.864 1.00 0.00 C ATOM 586 C SER A 61 -4.474 -3.455 -6.085 1.00 0.00 C ATOM 587 O SER A 61 -5.367 -2.619 -6.184 1.00 0.00 O ATOM 588 CB SER A 61 -2.433 -2.524 -7.184 1.00 0.00 C ATOM 589 OG SER A 61 -1.052 -2.238 -7.040 1.00 0.00 O ATOM 0 H SER A 61 -1.452 -4.395 -5.941 1.00 0.00 H new ATOM 0 HA SER A 61 -3.037 -2.208 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.573 -3.281 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.961 -1.630 -7.515 1.00 0.00 H new ATOM 0 HG SER A 61 -0.551 -3.076 -6.961 1.00 0.00 H new ATOM 595 N GLN A 62 -4.701 -4.760 -6.153 1.00 0.00 N ATOM 596 CA GLN A 62 -6.039 -5.294 -6.360 1.00 0.00 C ATOM 597 C GLN A 62 -6.746 -5.454 -5.012 1.00 0.00 C ATOM 598 O GLN A 62 -7.218 -6.532 -4.661 1.00 0.00 O ATOM 599 CB GLN A 62 -5.957 -6.638 -7.096 1.00 0.00 C ATOM 600 CG GLN A 62 -7.302 -7.182 -7.559 1.00 0.00 C ATOM 601 CD GLN A 62 -8.045 -6.221 -8.469 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.858 -6.228 -9.687 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.915 -5.410 -7.893 1.00 0.00 N ATOM 0 H GLN A 62 -3.973 -5.469 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.616 -4.602 -6.973 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.306 -6.525 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.489 -7.371 -6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.146 -8.125 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.919 -7.401 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.042 -5.434 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.460 -4.760 -8.460 1.00 0.00 H new ATOM 612 N SER A 63 -6.800 -4.367 -4.256 1.00 0.00 N ATOM 613 CA SER A 63 -7.425 -4.381 -2.947 1.00 0.00 C ATOM 614 C SER A 63 -8.576 -3.379 -2.882 1.00 0.00 C ATOM 615 O SER A 63 -8.585 -2.382 -3.609 1.00 0.00 O ATOM 616 CB SER A 63 -6.389 -4.062 -1.861 1.00 0.00 C ATOM 617 OG SER A 63 -5.406 -5.083 -1.768 1.00 0.00 O ATOM 0 H SER A 63 -6.416 -3.463 -4.530 1.00 0.00 H new ATOM 0 HA SER A 63 -7.828 -5.379 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.907 -3.110 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.890 -3.948 -0.900 1.00 0.00 H new ATOM 0 HG SER A 63 -4.600 -4.807 -2.253 1.00 0.00 H new ATOM 623 N TRP A 64 -9.537 -3.665 -2.008 1.00 0.00 N ATOM 624 CA TRP A 64 -10.689 -2.794 -1.761 1.00 0.00 C ATOM 625 C TRP A 64 -11.486 -2.535 -3.037 1.00 0.00 C ATOM 626 O TRP A 64 -12.280 -3.370 -3.469 1.00 0.00 O ATOM 627 CB TRP A 64 -10.241 -1.463 -1.142 1.00 0.00 C ATOM 628 CG TRP A 64 -9.345 -1.624 0.048 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.682 -2.120 1.274 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.955 -1.285 0.121 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.591 -2.102 2.104 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.520 -1.597 1.421 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.038 -0.746 -0.785 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.209 -1.388 1.835 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.736 -0.541 -0.373 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.334 -0.862 0.927 1.00 0.00 C ATOM 0 H TRP A 64 -9.541 -4.515 -1.445 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.340 -3.312 -1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.722 -0.876 -1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.123 -0.894 -0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.664 -2.475 1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.580 -2.415 3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.342 -0.494 -1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.894 -1.633 2.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.018 -0.127 -1.065 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.309 -0.690 1.220 1.00 0.00 H new ATOM 647 N GLY A 65 -11.263 -1.379 -3.632 1.00 0.00 N ATOM 648 CA GLY A 65 -11.930 -1.034 -4.866 1.00 0.00 C ATOM 649 C GLY A 65 -10.967 -0.445 -5.873 1.00 0.00 C ATOM 650 O GLY A 65 -11.341 0.410 -6.676 1.00 0.00 O ATOM 0 H GLY A 65 -10.625 -0.666 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.400 -1.923 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.727 -0.319 -4.662 1.00 0.00 H new ATOM 654 N ARG A 66 -9.719 -0.894 -5.826 1.00 0.00 N ATOM 655 CA ARG A 66 -8.699 -0.398 -6.733 1.00 0.00 C ATOM 656 C ARG A 66 -8.410 -1.412 -7.827 1.00 0.00 C ATOM 657 O ARG A 66 -8.128 -2.575 -7.554 1.00 0.00 O ATOM 658 CB ARG A 66 -7.413 -0.065 -5.970 1.00 0.00 C ATOM 659 CG ARG A 66 -7.538 1.158 -5.073 1.00 0.00 C ATOM 660 CD ARG A 66 -7.672 2.443 -5.887 1.00 0.00 C ATOM 661 NE ARG A 66 -6.420 2.814 -6.553 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.184 2.629 -7.851 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.084 2.023 -8.609 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.049 3.048 -8.398 1.00 0.00 N ATOM 0 H ARG A 66 -9.391 -1.601 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.076 0.514 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.128 -0.924 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.608 0.100 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.406 1.046 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.663 1.226 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.455 2.317 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.986 3.255 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.685 3.240 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.959 1.697 -8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.902 1.882 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.348 3.516 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.878 2.902 -9.393 1.00 0.00 H new ATOM 677 N SER A 67 -8.512 -0.964 -9.062 1.00 0.00 N ATOM 678 CA SER A 67 -8.206 -1.796 -10.206 1.00 0.00 C ATOM 679 C SER A 67 -6.768 -1.554 -10.652 1.00 0.00 C ATOM 680 O SER A 67 -6.071 -0.701 -10.089 1.00 0.00 O ATOM 681 CB SER A 67 -9.184 -1.474 -11.336 1.00 0.00 C ATOM 682 OG SER A 67 -9.307 -0.071 -11.519 1.00 0.00 O ATOM 0 H SER A 67 -8.808 -0.017 -9.299 1.00 0.00 H new ATOM 0 HA SER A 67 -8.308 -2.847 -9.937 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.841 -1.936 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.161 -1.902 -11.109 1.00 0.00 H new ATOM 0 HG SER A 67 -9.936 0.110 -12.248 1.00 0.00 H new ATOM 688 N SER A 68 -6.326 -2.292 -11.662 1.00 0.00 N ATOM 689 CA SER A 68 -4.990 -2.117 -12.209 1.00 0.00 C ATOM 690 C SER A 68 -4.957 -0.909 -13.140 1.00 0.00 C ATOM 691 O SER A 68 -4.659 -1.019 -14.330 1.00 0.00 O ATOM 692 CB SER A 68 -4.534 -3.383 -12.940 1.00 0.00 C ATOM 693 OG SER A 68 -4.411 -4.470 -12.034 1.00 0.00 O ATOM 0 H SER A 68 -6.876 -3.019 -12.119 1.00 0.00 H new ATOM 0 HA SER A 68 -4.297 -1.938 -11.387 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.250 -3.635 -13.722 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.577 -3.201 -13.430 1.00 0.00 H new ATOM 0 HG SER A 68 -3.463 -4.670 -11.890 1.00 0.00 H new ATOM 699 N LYS A 69 -5.280 0.243 -12.574 1.00 0.00 N ATOM 700 CA LYS A 69 -5.323 1.499 -13.296 1.00 0.00 C ATOM 701 C LYS A 69 -5.157 2.631 -12.284 1.00 0.00 C ATOM 702 O LYS A 69 -5.212 2.387 -11.077 1.00 0.00 O ATOM 703 CB LYS A 69 -6.659 1.614 -14.045 1.00 0.00 C ATOM 704 CG LYS A 69 -6.743 2.794 -14.998 1.00 0.00 C ATOM 705 CD LYS A 69 -8.015 2.756 -15.826 1.00 0.00 C ATOM 706 CE LYS A 69 -8.070 3.922 -16.799 1.00 0.00 C ATOM 707 NZ LYS A 69 -6.949 3.891 -17.782 1.00 0.00 N ATOM 0 H LYS A 69 -5.522 0.330 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.522 1.554 -14.033 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.827 0.695 -14.607 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.465 1.693 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.706 3.724 -14.430 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.877 2.790 -15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.066 1.817 -16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.883 2.787 -15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.020 3.902 -17.333 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.037 4.859 -16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.151 4.551 -18.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.066 4.172 -17.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.847 2.928 -18.162 1.00 0.00 H new ATOM 720 N GLN A 70 -4.926 3.845 -12.749 1.00 0.00 N ATOM 721 CA GLN A 70 -4.766 4.970 -11.841 1.00 0.00 C ATOM 722 C GLN A 70 -6.116 5.626 -11.571 1.00 0.00 C ATOM 723 O GLN A 70 -6.671 6.301 -12.439 1.00 0.00 O ATOM 724 CB GLN A 70 -3.788 5.994 -12.418 1.00 0.00 C ATOM 725 CG GLN A 70 -3.452 7.128 -11.458 1.00 0.00 C ATOM 726 CD GLN A 70 -2.495 8.143 -12.055 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.521 9.320 -11.703 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.643 7.697 -12.961 1.00 0.00 N ATOM 0 H GLN A 70 -4.845 4.078 -13.739 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.360 4.598 -10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.867 5.484 -12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.212 6.415 -13.330 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.372 7.633 -11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.013 6.712 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.651 6.713 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.977 8.337 -13.394 1.00 0.00 H new ATOM 737 N TRP A 71 -6.647 5.402 -10.373 1.00 0.00 N ATOM 738 CA TRP A 71 -7.917 5.997 -9.972 1.00 0.00 C ATOM 739 C TRP A 71 -7.754 7.505 -9.775 1.00 0.00 C ATOM 740 O TRP A 71 -6.677 7.988 -9.424 1.00 0.00 O ATOM 741 CB TRP A 71 -8.435 5.330 -8.688 1.00 0.00 C ATOM 742 CG TRP A 71 -9.773 5.837 -8.234 1.00 0.00 C ATOM 743 CD1 TRP A 71 -10.925 5.878 -8.965 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.100 6.358 -6.941 1.00 0.00 C ATOM 745 NE1 TRP A 71 -11.941 6.416 -8.213 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.461 6.713 -6.966 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.374 6.565 -5.768 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.108 7.262 -5.861 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.016 7.109 -4.671 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.371 7.452 -4.724 1.00 0.00 C ATOM 0 H TRP A 71 -6.216 4.811 -9.662 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.650 5.832 -10.762 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.502 4.254 -8.851 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.709 5.487 -7.891 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.023 5.537 -9.985 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.898 6.569 -8.532 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.327 6.304 -5.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.154 7.528 -5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.462 7.272 -3.758 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.845 7.875 -3.850 1.00 0.00 H new ATOM 761 N GLU A 72 -8.855 8.219 -10.022 1.00 0.00 N ATOM 762 CA GLU A 72 -8.877 9.680 -10.121 1.00 0.00 C ATOM 763 C GLU A 72 -8.249 10.379 -8.917 1.00 0.00 C ATOM 764 O GLU A 72 -7.641 11.442 -9.068 1.00 0.00 O ATOM 765 CB GLU A 72 -10.324 10.152 -10.292 1.00 0.00 C ATOM 766 CG GLU A 72 -10.464 11.640 -10.552 1.00 0.00 C ATOM 767 CD GLU A 72 -11.911 12.075 -10.610 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.554 12.146 -9.545 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.410 12.349 -11.720 1.00 0.00 O ATOM 0 H GLU A 72 -9.770 7.791 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.273 9.950 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.778 9.605 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.887 9.897 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.951 12.194 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.973 11.891 -11.492 1.00 0.00 H new ATOM 776 N ASP A 73 -8.387 9.798 -7.733 1.00 0.00 N ATOM 777 CA ASP A 73 -7.894 10.440 -6.518 1.00 0.00 C ATOM 778 C ASP A 73 -6.896 9.543 -5.789 1.00 0.00 C ATOM 779 O ASP A 73 -7.264 8.792 -4.887 1.00 0.00 O ATOM 780 CB ASP A 73 -9.060 10.796 -5.588 1.00 0.00 C ATOM 781 CG ASP A 73 -8.618 11.601 -4.380 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.141 12.740 -4.566 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.770 11.112 -3.240 1.00 0.00 O ATOM 0 H ASP A 73 -8.832 8.892 -7.586 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.381 11.357 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.804 11.364 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.545 9.879 -5.252 1.00 0.00 H new ATOM 788 N PRO A 74 -5.614 9.593 -6.183 1.00 0.00 N ATOM 789 CA PRO A 74 -4.557 8.816 -5.540 1.00 0.00 C ATOM 790 C PRO A 74 -4.030 9.500 -4.285 1.00 0.00 C ATOM 791 O PRO A 74 -3.245 8.930 -3.528 1.00 0.00 O ATOM 792 CB PRO A 74 -3.449 8.750 -6.606 1.00 0.00 C ATOM 793 CG PRO A 74 -3.964 9.504 -7.793 1.00 0.00 C ATOM 794 CD PRO A 74 -5.088 10.374 -7.302 1.00 0.00 C ATOM 0 HA PRO A 74 -4.914 7.838 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.525 9.193 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.224 7.717 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.174 10.108 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.315 8.818 -8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.735 11.355 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.841 10.540 -8.072 1.00 0.00 H new ATOM 802 N SER A 75 -4.482 10.721 -4.064 1.00 0.00 N ATOM 803 CA SER A 75 -3.988 11.539 -2.971 1.00 0.00 C ATOM 804 C SER A 75 -4.792 11.313 -1.690 1.00 0.00 C ATOM 805 O SER A 75 -5.159 12.258 -0.996 1.00 0.00 O ATOM 806 CB SER A 75 -4.023 13.012 -3.381 1.00 0.00 C ATOM 807 OG SER A 75 -3.376 13.199 -4.632 1.00 0.00 O ATOM 0 H SER A 75 -5.198 11.172 -4.634 1.00 0.00 H new ATOM 0 HA SER A 75 -2.959 11.247 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.056 13.352 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.535 13.619 -2.619 1.00 0.00 H new ATOM 0 HG SER A 75 -2.441 12.914 -4.562 1.00 0.00 H new ATOM 813 N GLN A 76 -5.058 10.053 -1.377 1.00 0.00 N ATOM 814 CA GLN A 76 -5.753 9.709 -0.145 1.00 0.00 C ATOM 815 C GLN A 76 -4.760 9.234 0.909 1.00 0.00 C ATOM 816 O GLN A 76 -5.091 9.115 2.085 1.00 0.00 O ATOM 817 CB GLN A 76 -6.803 8.629 -0.403 1.00 0.00 C ATOM 818 CG GLN A 76 -8.215 9.053 -0.028 1.00 0.00 C ATOM 819 CD GLN A 76 -8.366 9.363 1.451 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.143 10.491 1.890 1.00 0.00 O ATOM 821 NE2 GLN A 76 -8.760 8.367 2.231 1.00 0.00 N ATOM 0 H GLN A 76 -4.804 9.254 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.258 10.602 0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.782 8.358 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.539 7.735 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.491 9.933 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.912 8.260 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.935 7.445 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.888 8.522 3.231 1.00 0.00 H new ATOM 830 N ALA A 77 -3.531 8.985 0.481 1.00 0.00 N ATOM 831 CA ALA A 77 -2.498 8.485 1.380 1.00 0.00 C ATOM 832 C ALA A 77 -1.668 9.629 1.949 1.00 0.00 C ATOM 833 O ALA A 77 -0.537 9.430 2.395 1.00 0.00 O ATOM 834 CB ALA A 77 -1.605 7.492 0.657 1.00 0.00 C ATOM 0 H ALA A 77 -3.224 9.120 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.988 7.977 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.838 7.127 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.205 6.653 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.130 7.982 -0.193 1.00 0.00 H new ATOM 840 N SER A 78 -2.245 10.824 1.931 1.00 0.00 N ATOM 841 CA SER A 78 -1.575 12.016 2.432 1.00 0.00 C ATOM 842 C SER A 78 -1.141 11.837 3.888 1.00 0.00 C ATOM 843 O SER A 78 -0.082 12.312 4.288 1.00 0.00 O ATOM 844 CB SER A 78 -2.511 13.216 2.307 1.00 0.00 C ATOM 845 OG SER A 78 -3.090 13.260 1.014 1.00 0.00 O ATOM 0 H SER A 78 -3.184 10.993 1.571 1.00 0.00 H new ATOM 0 HA SER A 78 -0.679 12.186 1.835 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.295 13.153 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.959 14.137 2.497 1.00 0.00 H new ATOM 0 HG SER A 78 -3.689 14.033 0.950 1.00 0.00 H new ATOM 851 N LYS A 79 -1.962 11.133 4.666 1.00 0.00 N ATOM 852 CA LYS A 79 -1.648 10.845 6.060 1.00 0.00 C ATOM 853 C LYS A 79 -0.329 10.080 6.168 1.00 0.00 C ATOM 854 O LYS A 79 0.503 10.378 7.023 1.00 0.00 O ATOM 855 CB LYS A 79 -2.788 10.039 6.691 1.00 0.00 C ATOM 856 CG LYS A 79 -2.543 9.619 8.134 1.00 0.00 C ATOM 857 CD LYS A 79 -2.474 10.810 9.080 1.00 0.00 C ATOM 858 CE LYS A 79 -2.413 10.357 10.532 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.355 11.502 11.481 1.00 0.00 N ATOM 0 H LYS A 79 -2.853 10.751 4.350 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.538 11.787 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.702 10.632 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.960 9.146 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.340 8.949 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.611 9.057 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.596 11.412 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.346 11.447 8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.288 9.746 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.537 9.724 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.315 11.143 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.507 12.072 11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.203 12.093 11.364 1.00 0.00 H new ATOM 872 N VAL A 80 -0.138 9.110 5.281 1.00 0.00 N ATOM 873 CA VAL A 80 1.082 8.312 5.273 1.00 0.00 C ATOM 874 C VAL A 80 2.273 9.175 4.865 1.00 0.00 C ATOM 875 O VAL A 80 3.301 9.185 5.543 1.00 0.00 O ATOM 876 CB VAL A 80 0.967 7.098 4.318 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.276 6.315 4.273 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.180 6.188 4.738 1.00 0.00 C ATOM 0 H VAL A 80 -0.812 8.857 4.558 1.00 0.00 H new ATOM 0 HA VAL A 80 1.233 7.933 6.284 1.00 0.00 H new ATOM 0 HB VAL A 80 0.759 7.477 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.170 5.468 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.077 6.965 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.518 5.953 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.243 5.342 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.004 5.824 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.116 6.746 4.711 1.00 0.00 H new ATOM 888 N CYS A 81 2.113 9.922 3.775 1.00 0.00 N ATOM 889 CA CYS A 81 3.169 10.808 3.287 1.00 0.00 C ATOM 890 C CYS A 81 3.547 11.837 4.347 1.00 0.00 C ATOM 891 O CYS A 81 4.720 12.178 4.503 1.00 0.00 O ATOM 892 CB CYS A 81 2.727 11.518 2.005 1.00 0.00 C ATOM 893 SG CYS A 81 2.187 10.388 0.681 1.00 0.00 S ATOM 0 H CYS A 81 1.262 9.932 3.212 1.00 0.00 H new ATOM 0 HA CYS A 81 4.044 10.197 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.910 12.200 2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.553 12.126 1.635 1.00 0.00 H new ATOM 898 N GLN A 82 2.551 12.315 5.086 1.00 0.00 N ATOM 899 CA GLN A 82 2.781 13.291 6.141 1.00 0.00 C ATOM 900 C GLN A 82 3.597 12.669 7.271 1.00 0.00 C ATOM 901 O GLN A 82 4.509 13.298 7.806 1.00 0.00 O ATOM 902 CB GLN A 82 1.449 13.829 6.677 1.00 0.00 C ATOM 903 CG GLN A 82 1.604 15.001 7.633 1.00 0.00 C ATOM 904 CD GLN A 82 2.314 16.183 7.000 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.227 16.409 5.794 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.025 16.947 7.811 1.00 0.00 N ATOM 0 H GLN A 82 1.575 12.040 4.972 1.00 0.00 H new ATOM 0 HA GLN A 82 3.345 14.125 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.827 14.137 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.920 13.023 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.619 15.316 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.161 14.676 8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.074 16.728 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.525 17.756 7.442 1.00 0.00 H new ATOM 915 N ARG A 83 3.284 11.421 7.614 1.00 0.00 N ATOM 916 CA ARG A 83 4.018 10.710 8.656 1.00 0.00 C ATOM 917 C ARG A 83 5.449 10.432 8.206 1.00 0.00 C ATOM 918 O ARG A 83 6.355 10.315 9.028 1.00 0.00 O ATOM 919 CB ARG A 83 3.330 9.390 9.022 1.00 0.00 C ATOM 920 CG ARG A 83 1.919 9.543 9.576 1.00 0.00 C ATOM 921 CD ARG A 83 1.887 10.361 10.860 1.00 0.00 C ATOM 922 NE ARG A 83 2.656 9.737 11.937 1.00 0.00 N ATOM 923 CZ ARG A 83 2.697 10.210 13.183 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.006 11.297 13.500 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.424 9.605 14.109 1.00 0.00 N ATOM 0 H ARG A 83 2.530 10.884 7.187 1.00 0.00 H new ATOM 0 HA ARG A 83 4.034 11.348 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.291 8.757 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.941 8.869 9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.287 10.021 8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.497 8.556 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.284 11.357 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.853 10.488 11.181 1.00 0.00 H new ATOM 0 HE ARG A 83 3.190 8.894 11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.445 11.769 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.036 11.661 14.453 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.959 8.770 13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.449 9.974 15.059 1.00 0.00 H new ATOM 938 N LEU A 84 5.640 10.328 6.895 1.00 0.00 N ATOM 939 CA LEU A 84 6.964 10.100 6.327 1.00 0.00 C ATOM 940 C LEU A 84 7.677 11.427 6.061 1.00 0.00 C ATOM 941 O LEU A 84 8.772 11.458 5.498 1.00 0.00 O ATOM 942 CB LEU A 84 6.847 9.288 5.036 1.00 0.00 C ATOM 943 CG LEU A 84 6.224 7.896 5.203 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.872 7.300 3.851 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.169 6.967 5.952 1.00 0.00 C ATOM 0 H LEU A 84 4.893 10.398 6.204 1.00 0.00 H new ATOM 0 HA LEU A 84 7.557 9.536 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.250 9.854 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.841 9.176 4.603 1.00 0.00 H new ATOM 0 HG LEU A 84 5.310 8.006 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.432 6.313 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.157 7.947 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.775 7.212 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.706 5.986 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.101 6.870 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.377 7.379 6.939 1.00 0.00 H new ATOM 957 N ASN A 85 7.033 12.518 6.488 1.00 0.00 N ATOM 958 CA ASN A 85 7.583 13.873 6.375 1.00 0.00 C ATOM 959 C ASN A 85 7.776 14.271 4.910 1.00 0.00 C ATOM 960 O ASN A 85 8.836 14.747 4.505 1.00 0.00 O ATOM 961 CB ASN A 85 8.894 13.988 7.169 1.00 0.00 C ATOM 962 CG ASN A 85 9.380 15.422 7.330 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.908 16.156 8.201 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.351 15.820 6.526 1.00 0.00 N ATOM 0 H ASN A 85 6.111 12.486 6.924 1.00 0.00 H new ATOM 0 HA ASN A 85 6.866 14.572 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.752 13.547 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.666 13.405 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.734 16.761 6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.718 15.186 5.816 1.00 0.00 H new ATOM 971 N CYS A 86 6.739 14.071 4.115 1.00 0.00 N ATOM 972 CA CYS A 86 6.766 14.473 2.719 1.00 0.00 C ATOM 973 C CYS A 86 5.465 15.144 2.310 1.00 0.00 C ATOM 974 O CYS A 86 4.523 15.234 3.104 1.00 0.00 O ATOM 975 CB CYS A 86 7.053 13.269 1.821 1.00 0.00 C ATOM 976 SG CYS A 86 8.806 12.777 1.807 1.00 0.00 S ATOM 0 H CYS A 86 5.867 13.632 4.412 1.00 0.00 H new ATOM 0 HA CYS A 86 7.569 15.200 2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.449 12.425 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.741 13.502 0.803 1.00 0.00 H new ATOM 981 N GLY A 87 5.421 15.618 1.073 1.00 0.00 N ATOM 982 CA GLY A 87 4.264 16.331 0.587 1.00 0.00 C ATOM 983 C GLY A 87 3.144 15.411 0.147 1.00 0.00 C ATOM 984 O GLY A 87 3.024 14.283 0.628 1.00 0.00 O ATOM 0 H GLY A 87 6.175 15.518 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.896 16.993 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.559 16.962 -0.251 1.00 0.00 H new ATOM 988 N ASP A 88 2.334 15.897 -0.778 1.00 0.00 N ATOM 989 CA ASP A 88 1.145 15.187 -1.230 1.00 0.00 C ATOM 990 C ASP A 88 1.514 13.969 -2.073 1.00 0.00 C ATOM 991 O ASP A 88 2.603 13.910 -2.649 1.00 0.00 O ATOM 992 CB ASP A 88 0.259 16.134 -2.043 1.00 0.00 C ATOM 993 CG ASP A 88 -0.044 17.415 -1.296 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.747 18.379 -1.407 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.065 17.466 -0.577 1.00 0.00 O ATOM 0 H ASP A 88 2.480 16.795 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 88 0.601 14.837 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.753 16.373 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.675 15.631 -2.292 1.00 0.00 H new ATOM 1000 N PRO A 89 0.618 12.971 -2.131 1.00 0.00 N ATOM 1001 CA PRO A 89 0.811 11.771 -2.944 1.00 0.00 C ATOM 1002 C PRO A 89 0.669 12.059 -4.436 1.00 0.00 C ATOM 1003 O PRO A 89 -0.408 12.438 -4.909 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.302 10.821 -2.481 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.887 11.448 -1.261 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.649 12.920 -1.400 1.00 0.00 C ATOM 0 HA PRO A 89 1.812 11.360 -2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.057 10.695 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.096 9.831 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.952 11.230 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.415 11.060 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.453 13.411 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.578 13.412 -0.430 1.00 0.00 H new ATOM 1014 N LEU A 90 1.760 11.863 -5.161 1.00 0.00 N ATOM 1015 CA LEU A 90 1.805 12.109 -6.596 1.00 0.00 C ATOM 1016 C LEU A 90 1.101 10.970 -7.330 1.00 0.00 C ATOM 1017 O LEU A 90 0.242 11.198 -8.186 1.00 0.00 O ATOM 1018 CB LEU A 90 3.273 12.219 -7.054 1.00 0.00 C ATOM 1019 CG LEU A 90 3.539 13.065 -8.310 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.039 13.229 -8.528 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.904 12.436 -9.540 1.00 0.00 C ATOM 0 H LEU A 90 2.641 11.528 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 90 1.295 13.044 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.856 12.635 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.650 11.212 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 90 3.089 14.046 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.213 13.830 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.480 13.726 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.497 12.248 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.109 13.056 -10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.321 11.441 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.827 12.359 -9.394 1.00 0.00 H new ATOM 1033 N SER A 91 1.455 9.747 -6.973 1.00 0.00 N ATOM 1034 CA SER A 91 0.900 8.571 -7.619 1.00 0.00 C ATOM 1035 C SER A 91 0.665 7.459 -6.604 1.00 0.00 C ATOM 1036 O SER A 91 1.419 7.318 -5.639 1.00 0.00 O ATOM 1037 CB SER A 91 1.838 8.095 -8.733 1.00 0.00 C ATOM 1038 OG SER A 91 3.178 8.012 -8.276 1.00 0.00 O ATOM 0 H SER A 91 2.128 9.543 -6.235 1.00 0.00 H new ATOM 0 HA SER A 91 -0.062 8.835 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.513 7.119 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.781 8.782 -9.578 1.00 0.00 H new ATOM 0 HG SER A 91 3.754 7.704 -9.006 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.390 6.686 -6.824 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.743 5.583 -5.939 1.00 0.00 C ATOM 1046 C LEU A 92 -1.508 4.532 -6.739 1.00 0.00 C ATOM 1047 O LEU A 92 -2.578 4.815 -7.290 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.606 6.100 -4.770 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.697 5.199 -3.520 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.435 5.921 -2.401 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.398 3.883 -3.824 1.00 0.00 C ATOM 0 H LEU A 92 -1.022 6.804 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 92 0.162 5.137 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.215 7.070 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.617 6.268 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.678 4.977 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.492 5.274 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.900 6.835 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.443 6.172 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.442 3.277 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.410 4.083 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.845 3.345 -4.594 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.966 3.327 -6.811 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.636 2.267 -7.540 1.00 0.00 C ATOM 1065 C GLY A 93 -0.684 1.193 -8.017 1.00 0.00 C ATOM 1066 O GLY A 93 0.369 0.989 -7.412 1.00 0.00 O ATOM 0 H GLY A 93 -0.080 3.063 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.395 1.816 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.155 2.694 -8.398 1.00 0.00 H new ATOM 1070 N PRO A 94 -1.034 0.479 -9.102 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.187 -0.578 -9.669 1.00 0.00 C ATOM 1072 C PRO A 94 1.156 -0.033 -10.142 1.00 0.00 C ATOM 1073 O PRO A 94 1.255 0.564 -11.216 1.00 0.00 O ATOM 1074 CB PRO A 94 -1.002 -1.102 -10.858 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.399 -0.664 -10.593 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.285 0.639 -9.860 1.00 0.00 C ATOM 0 HA PRO A 94 0.051 -1.349 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.633 -0.695 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.937 -2.187 -10.933 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.954 -0.542 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.934 -1.403 -9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.237 1.485 -10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.137 0.809 -9.202 1.00 0.00 H new ATOM 1084 N PHE A 95 2.185 -0.234 -9.334 1.00 0.00 N ATOM 1085 CA PHE A 95 3.498 0.315 -9.633 1.00 0.00 C ATOM 1086 C PHE A 95 4.360 -0.706 -10.366 1.00 0.00 C ATOM 1087 O PHE A 95 5.115 -0.354 -11.268 1.00 0.00 O ATOM 1088 CB PHE A 95 4.191 0.756 -8.342 1.00 0.00 C ATOM 1089 CG PHE A 95 5.371 1.663 -8.556 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.184 3.013 -8.811 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.667 1.173 -8.493 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.264 3.856 -9.001 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.750 2.011 -8.682 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.549 3.353 -8.936 1.00 0.00 C ATOM 0 H PHE A 95 2.137 -0.772 -8.469 1.00 0.00 H new ATOM 0 HA PHE A 95 3.366 1.181 -10.281 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.465 1.266 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.521 -0.130 -7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.182 3.412 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.832 0.124 -8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.103 4.905 -9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.754 1.616 -8.631 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.395 4.008 -9.084 1.00 0.00 H new ATOM 1104 N LEU A 96 4.237 -1.969 -9.978 1.00 0.00 N ATOM 1105 CA LEU A 96 5.058 -3.028 -10.554 1.00 0.00 C ATOM 1106 C LEU A 96 4.203 -4.230 -10.943 1.00 0.00 C ATOM 1107 O LEU A 96 3.325 -4.653 -10.181 1.00 0.00 O ATOM 1108 CB LEU A 96 6.136 -3.481 -9.558 1.00 0.00 C ATOM 1109 CG LEU A 96 7.123 -2.405 -9.081 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.040 -2.978 -8.010 1.00 0.00 C ATOM 1111 CD2 LEU A 96 7.945 -1.854 -10.241 1.00 0.00 C ATOM 0 H LEU A 96 3.577 -2.286 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 96 5.535 -2.624 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.638 -3.899 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.707 -4.288 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 96 6.548 -1.581 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.737 -2.208 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.443 -3.317 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.598 -3.819 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.634 -1.095 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.511 -2.663 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.279 -1.410 -10.980 1.00 0.00 H new ATOM 1123 N LYS A 97 4.466 -4.784 -12.120 1.00 0.00 N ATOM 1124 CA LYS A 97 3.803 -6.008 -12.559 1.00 0.00 C ATOM 1125 C LYS A 97 4.607 -7.222 -12.091 1.00 0.00 C ATOM 1126 O LYS A 97 5.073 -8.039 -12.882 1.00 0.00 O ATOM 1127 CB LYS A 97 3.585 -6.036 -14.089 1.00 0.00 C ATOM 1128 CG LYS A 97 4.852 -5.954 -14.935 1.00 0.00 C ATOM 1129 CD LYS A 97 5.385 -4.535 -15.038 1.00 0.00 C ATOM 1130 CE LYS A 97 6.670 -4.481 -15.845 1.00 0.00 C ATOM 1131 NZ LYS A 97 7.761 -5.273 -15.209 1.00 0.00 N ATOM 0 H LYS A 97 5.135 -4.405 -12.790 1.00 0.00 H new ATOM 0 HA LYS A 97 2.812 -6.040 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.056 -6.954 -14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.933 -5.206 -14.361 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.618 -6.597 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.644 -6.335 -15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.635 -3.896 -15.504 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.565 -4.139 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.484 -4.861 -16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.989 -3.444 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.673 -5.013 -15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.787 -5.072 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.586 -6.287 -15.358 1.00 0.00 H new ATOM 1144 N THR A 98 4.749 -7.323 -10.781 1.00 0.00 N ATOM 1145 CA THR A 98 5.578 -8.342 -10.159 1.00 0.00 C ATOM 1146 C THR A 98 5.028 -9.751 -10.386 1.00 0.00 C ATOM 1147 O THR A 98 5.788 -10.659 -10.732 1.00 0.00 O ATOM 1148 CB THR A 98 5.694 -8.064 -8.650 1.00 0.00 C ATOM 1149 OG1 THR A 98 6.021 -6.681 -8.448 1.00 0.00 O ATOM 1150 CG2 THR A 98 6.757 -8.938 -8.004 1.00 0.00 C ATOM 0 H THR A 98 4.292 -6.699 -10.116 1.00 0.00 H new ATOM 0 HA THR A 98 6.562 -8.297 -10.625 1.00 0.00 H new ATOM 0 HB THR A 98 4.737 -8.298 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.784 -6.611 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.812 -8.716 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.499 -9.988 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.723 -8.738 -8.467 1.00 0.00 H new ATOM 1158 N TYR A 99 3.713 -9.922 -10.227 1.00 0.00 N ATOM 1159 CA TYR A 99 3.089 -11.246 -10.329 1.00 0.00 C ATOM 1160 C TYR A 99 3.781 -12.245 -9.403 1.00 0.00 C ATOM 1161 O TYR A 99 4.363 -13.233 -9.854 1.00 0.00 O ATOM 1162 CB TYR A 99 3.130 -11.767 -11.772 1.00 0.00 C ATOM 1163 CG TYR A 99 2.247 -11.009 -12.745 1.00 0.00 C ATOM 1164 CD1 TYR A 99 0.897 -11.313 -12.874 1.00 0.00 C ATOM 1165 CD2 TYR A 99 2.770 -10.004 -13.550 1.00 0.00 C ATOM 1166 CE1 TYR A 99 0.095 -10.637 -13.774 1.00 0.00 C ATOM 1167 CE2 TYR A 99 1.972 -9.321 -14.449 1.00 0.00 C ATOM 1168 CZ TYR A 99 0.637 -9.643 -14.559 1.00 0.00 C ATOM 1169 OH TYR A 99 -0.160 -8.968 -15.456 1.00 0.00 O ATOM 0 H TYR A 99 3.061 -9.164 -10.028 1.00 0.00 H new ATOM 0 HA TYR A 99 2.048 -11.141 -10.024 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.159 -11.727 -12.129 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.833 -12.816 -11.774 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.467 -12.091 -12.260 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.817 -9.752 -13.472 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.952 -10.887 -13.862 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.393 -8.538 -15.062 1.00 0.00 H new ATOM 0 HH TYR A 99 0.376 -8.298 -15.930 1.00 0.00 H new ATOM 1179 N THR A 100 3.738 -11.973 -8.106 1.00 0.00 N ATOM 1180 CA THR A 100 4.370 -12.844 -7.125 1.00 0.00 C ATOM 1181 C THR A 100 3.596 -12.830 -5.806 1.00 0.00 C ATOM 1182 O THR A 100 3.774 -11.938 -4.975 1.00 0.00 O ATOM 1183 CB THR A 100 5.837 -12.426 -6.866 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.546 -12.352 -8.109 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.537 -13.418 -5.947 1.00 0.00 C ATOM 0 H THR A 100 3.273 -11.157 -7.709 1.00 0.00 H new ATOM 0 HA THR A 100 4.361 -13.854 -7.535 1.00 0.00 H new ATOM 0 HB THR A 100 5.830 -11.449 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.474 -12.086 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.566 -13.098 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.014 -13.461 -4.992 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.533 -14.406 -6.407 1.00 0.00 H new ATOM 1193 N PRO A 101 2.728 -13.827 -5.597 1.00 0.00 N ATOM 1194 CA PRO A 101 1.908 -13.923 -4.392 1.00 0.00 C ATOM 1195 C PRO A 101 2.651 -14.587 -3.235 1.00 0.00 C ATOM 1196 O PRO A 101 2.130 -15.491 -2.582 1.00 0.00 O ATOM 1197 CB PRO A 101 0.745 -14.795 -4.851 1.00 0.00 C ATOM 1198 CG PRO A 101 1.340 -15.706 -5.872 1.00 0.00 C ATOM 1199 CD PRO A 101 2.476 -14.952 -6.519 1.00 0.00 C ATOM 0 HA PRO A 101 1.612 -12.946 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.318 -15.356 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.058 -14.193 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.700 -16.624 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.595 -15.994 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.359 -15.581 -6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.206 -14.600 -7.514 1.00 0.00 H new ATOM 1207 N GLN A 102 3.871 -14.134 -2.986 1.00 0.00 N ATOM 1208 CA GLN A 102 4.696 -14.701 -1.926 1.00 0.00 C ATOM 1209 C GLN A 102 5.197 -13.594 -1.007 1.00 0.00 C ATOM 1210 O GLN A 102 6.261 -13.706 -0.400 1.00 0.00 O ATOM 1211 CB GLN A 102 5.879 -15.479 -2.520 1.00 0.00 C ATOM 1212 CG GLN A 102 5.466 -16.592 -3.473 1.00 0.00 C ATOM 1213 CD GLN A 102 6.652 -17.380 -3.991 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.760 -16.858 -4.098 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.425 -18.637 -4.341 1.00 0.00 N ATOM 0 H GLN A 102 4.313 -13.374 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 102 4.088 -15.394 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.530 -14.783 -3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.465 -15.908 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.780 -17.268 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.923 -16.163 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.491 -19.035 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.184 -19.207 -4.714 1.00 0.00 H new ATOM 1224 N SER A 103 4.417 -12.523 -0.917 1.00 0.00 N ATOM 1225 CA SER A 103 4.770 -11.377 -0.089 1.00 0.00 C ATOM 1226 C SER A 103 3.626 -10.370 -0.078 1.00 0.00 C ATOM 1227 O SER A 103 3.361 -9.719 0.937 1.00 0.00 O ATOM 1228 CB SER A 103 6.049 -10.706 -0.606 1.00 0.00 C ATOM 1229 OG SER A 103 6.453 -9.647 0.243 1.00 0.00 O ATOM 0 H SER A 103 3.530 -12.425 -1.411 1.00 0.00 H new ATOM 0 HA SER A 103 4.950 -11.730 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.848 -11.445 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.880 -10.324 -1.613 1.00 0.00 H new ATOM 0 HG SER A 103 6.503 -8.815 -0.273 1.00 0.00 H new ATOM 1235 N SER A 104 2.948 -10.251 -1.210 1.00 0.00 N ATOM 1236 CA SER A 104 1.852 -9.311 -1.348 1.00 0.00 C ATOM 1237 C SER A 104 0.547 -9.896 -0.799 1.00 0.00 C ATOM 1238 O SER A 104 0.336 -11.112 -0.815 1.00 0.00 O ATOM 1239 CB SER A 104 1.695 -8.923 -2.821 1.00 0.00 C ATOM 1240 OG SER A 104 1.641 -10.074 -3.649 1.00 0.00 O ATOM 0 H SER A 104 3.141 -10.798 -2.049 1.00 0.00 H new ATOM 0 HA SER A 104 2.080 -8.419 -0.764 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.786 -8.335 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.530 -8.291 -3.125 1.00 0.00 H new ATOM 0 HG SER A 104 1.095 -9.883 -4.440 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.308 -9.019 -0.289 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.605 -9.410 0.241 1.00 0.00 C ATOM 1248 C ILE A 105 -2.710 -8.586 -0.410 1.00 0.00 C ATOM 1249 O ILE A 105 -2.485 -7.443 -0.815 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.677 -9.218 1.778 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.363 -7.760 2.139 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.729 -10.179 2.488 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.438 -7.454 3.617 1.00 0.00 C ATOM 0 H ILE A 105 -0.121 -8.018 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.741 -10.467 0.015 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.688 -9.445 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.363 -7.517 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.059 -7.109 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.796 -10.027 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.005 -11.206 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.293 -9.992 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.202 -6.403 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.444 -7.662 3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.722 -8.076 4.154 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.893 -9.163 -0.514 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.047 -8.447 -1.034 1.00 0.00 C ATOM 1267 C ILE A 106 -6.033 -8.191 0.093 1.00 0.00 C ATOM 1268 O ILE A 106 -6.458 -9.118 0.783 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.736 -9.215 -2.192 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.962 -9.000 -3.495 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.191 -8.787 -2.355 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.546 -9.732 -4.686 1.00 0.00 C ATOM 0 H ILE A 106 -4.082 -10.129 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.700 -7.498 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.731 -10.277 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.932 -7.933 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.931 -9.325 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.644 -9.344 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.736 -8.990 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.234 -7.720 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.941 -9.529 -5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.551 -10.804 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.567 -9.391 -4.858 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.377 -6.934 0.292 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.264 -6.566 1.379 1.00 0.00 C ATOM 1286 C CYS A 107 -8.636 -6.203 0.834 1.00 0.00 C ATOM 1287 O CYS A 107 -8.756 -5.691 -0.279 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.675 -5.406 2.186 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.140 -5.431 3.947 1.00 0.00 S ATOM 0 H CYS A 107 -6.058 -6.153 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.372 -7.420 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.588 -5.434 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.003 -4.465 1.746 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.667 -6.486 1.610 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.031 -6.235 1.184 1.00 0.00 C ATOM 1296 C TYR A 108 -11.687 -5.231 2.120 1.00 0.00 C ATOM 1297 O TYR A 108 -11.309 -5.126 3.289 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.830 -7.543 1.155 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.251 -8.601 0.233 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.518 -8.582 -1.131 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.438 -9.616 0.726 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.994 -9.543 -1.976 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.910 -10.579 -0.113 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.189 -10.538 -1.462 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.659 -11.495 -2.302 1.00 0.00 O ATOM 0 H TYR A 108 -9.584 -6.891 2.542 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.017 -5.820 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.883 -7.947 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.852 -7.325 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.146 -7.803 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.216 -9.652 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.214 -9.515 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.281 -11.361 0.287 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.114 -12.122 -1.781 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.658 -4.492 1.608 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.332 -3.502 2.418 1.00 0.00 C ATOM 1317 C GLY A 109 -13.256 -2.111 1.817 1.00 0.00 C ATOM 1318 O GLY A 109 -13.569 -1.915 0.642 1.00 0.00 O ATOM 0 H GLY A 109 -12.991 -4.560 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.378 -3.786 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.889 -3.489 3.414 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.829 -1.147 2.622 1.00 0.00 N ATOM 1323 CA GLN A 110 -12.775 0.247 2.201 1.00 0.00 C ATOM 1324 C GLN A 110 -11.328 0.724 2.105 1.00 0.00 C ATOM 1325 O GLN A 110 -10.501 0.390 2.956 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.546 1.114 3.199 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.523 2.600 2.874 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.271 3.428 3.898 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.343 3.066 5.074 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -14.821 4.551 3.464 1.00 0.00 N ATOM 0 H GLN A 110 -12.512 -1.307 3.578 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.232 0.334 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.582 0.776 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.128 0.964 4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.489 2.941 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -13.963 2.760 1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.738 4.813 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.328 5.154 4.112 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.037 1.497 1.060 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.702 2.047 0.829 1.00 0.00 C ATOM 1341 C LEU A 111 -9.178 2.758 2.072 1.00 0.00 C ATOM 1342 O LEU A 111 -9.724 3.778 2.498 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.741 3.025 -0.356 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.431 3.761 -0.666 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.343 2.792 -1.112 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.660 4.826 -1.731 1.00 0.00 C ATOM 0 H LEU A 111 -11.720 1.760 0.349 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.027 1.222 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.044 2.474 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.515 3.768 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.094 4.245 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.428 3.345 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.154 2.067 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.668 2.269 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.721 5.339 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.027 4.355 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.396 5.546 -1.373 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.125 2.206 2.653 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.546 2.788 3.846 1.00 0.00 C ATOM 1360 C GLY A 112 -7.792 1.940 5.078 1.00 0.00 C ATOM 1361 O GLY A 112 -7.269 2.231 6.155 1.00 0.00 O ATOM 0 H GLY A 112 -7.659 1.362 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.473 2.913 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.965 3.782 4.002 1.00 0.00 H new ATOM 1365 N SER A 113 -8.600 0.902 4.925 1.00 0.00 N ATOM 1366 CA SER A 113 -8.880 -0.008 6.019 1.00 0.00 C ATOM 1367 C SER A 113 -8.219 -1.360 5.772 1.00 0.00 C ATOM 1368 O SER A 113 -8.533 -2.053 4.806 1.00 0.00 O ATOM 1369 CB SER A 113 -10.388 -0.185 6.197 1.00 0.00 C ATOM 1370 OG SER A 113 -10.681 -0.971 7.341 1.00 0.00 O ATOM 0 H SER A 113 -9.073 0.671 4.051 1.00 0.00 H new ATOM 0 HA SER A 113 -8.469 0.420 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.863 0.792 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.808 -0.659 5.310 1.00 0.00 H new ATOM 0 HG SER A 113 -11.652 -1.067 7.432 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.307 -1.722 6.652 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.625 -3.002 6.577 1.00 0.00 C ATOM 1378 C PHE A 114 -7.204 -3.932 7.633 1.00 0.00 C ATOM 1379 O PHE A 114 -6.477 -4.598 8.371 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.119 -2.816 6.790 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.446 -2.008 5.715 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.374 -0.625 5.810 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.887 -2.628 4.609 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.755 0.120 4.825 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.266 -1.885 3.622 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.201 -0.509 3.730 1.00 0.00 C ATOM 0 H PHE A 114 -7.017 -1.140 7.438 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.773 -3.439 5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.955 -2.330 7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.646 -3.797 6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.807 -0.126 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.937 -3.703 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.705 1.195 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.832 -2.380 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.718 0.072 2.959 1.00 0.00 H new ATOM 1396 N SER A 115 -8.529 -3.953 7.696 1.00 0.00 N ATOM 1397 CA SER A 115 -9.253 -4.693 8.717 1.00 0.00 C ATOM 1398 C SER A 115 -9.002 -6.195 8.611 1.00 0.00 C ATOM 1399 O SER A 115 -8.612 -6.844 9.587 1.00 0.00 O ATOM 1400 CB SER A 115 -10.746 -4.388 8.591 1.00 0.00 C ATOM 1401 OG SER A 115 -11.165 -4.460 7.238 1.00 0.00 O ATOM 0 H SER A 115 -9.131 -3.456 7.039 1.00 0.00 H new ATOM 0 HA SER A 115 -8.893 -4.377 9.696 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.318 -5.096 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.953 -3.394 8.988 1.00 0.00 H new ATOM 0 HG SER A 115 -12.123 -4.263 7.181 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.215 -6.742 7.428 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.007 -8.160 7.193 1.00 0.00 C ATOM 1409 C ASN A 116 -8.474 -8.383 5.788 1.00 0.00 C ATOM 1410 O ASN A 116 -9.233 -8.438 4.819 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.313 -8.933 7.397 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.149 -10.433 7.219 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.084 -10.998 7.477 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.214 -11.089 6.792 1.00 0.00 N ATOM 0 H ASN A 116 -9.534 -6.222 6.610 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.273 -8.529 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.696 -8.731 8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.059 -8.568 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.173 -12.100 6.665 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.077 -10.584 6.590 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.162 -8.484 5.677 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.530 -8.706 4.392 1.00 0.00 C ATOM 1423 C CYS A 117 -6.177 -10.184 4.240 1.00 0.00 C ATOM 1424 O CYS A 117 -5.850 -10.854 5.222 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.272 -7.840 4.263 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.472 -6.130 4.879 1.00 0.00 S ATOM 0 H CYS A 117 -6.514 -8.416 6.462 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.224 -8.425 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.458 -8.318 4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.975 -7.804 3.215 1.00 0.00 H new ATOM 1431 N SER A 118 -6.246 -10.688 3.019 1.00 0.00 N ATOM 1432 CA SER A 118 -6.032 -12.102 2.763 1.00 0.00 C ATOM 1433 C SER A 118 -4.743 -12.322 1.975 1.00 0.00 C ATOM 1434 O SER A 118 -4.387 -11.521 1.103 1.00 0.00 O ATOM 1435 CB SER A 118 -7.232 -12.668 1.997 1.00 0.00 C ATOM 1436 OG SER A 118 -8.449 -12.389 2.680 1.00 0.00 O ATOM 0 H SER A 118 -6.450 -10.136 2.186 1.00 0.00 H new ATOM 0 HA SER A 118 -5.934 -12.623 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.265 -12.238 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.117 -13.745 1.877 1.00 0.00 H new ATOM 0 HG SER A 118 -9.201 -12.758 2.172 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.035 -13.398 2.302 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.810 -13.749 1.597 1.00 0.00 C ATOM 1444 C HIS A 119 -3.152 -14.323 0.230 1.00 0.00 C ATOM 1445 O HIS A 119 -3.674 -15.430 0.125 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.979 -14.753 2.405 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.615 -15.004 1.831 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.536 -14.457 2.356 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.221 -15.746 0.769 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.575 -14.845 1.641 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.143 -15.629 0.674 1.00 0.00 N ATOM 0 H HIS A 119 -4.290 -14.042 3.051 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.212 -12.847 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.872 -14.386 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.520 -15.698 2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.861 -16.323 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.604 -14.567 1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.728 -16.077 -0.031 1.00 0.00 H new ATOM 1459 N SER A 120 -2.854 -13.556 -0.804 1.00 0.00 N ATOM 1460 CA SER A 120 -3.192 -13.924 -2.167 1.00 0.00 C ATOM 1461 C SER A 120 -2.475 -15.204 -2.596 1.00 0.00 C ATOM 1462 O SER A 120 -1.259 -15.321 -2.460 1.00 0.00 O ATOM 1463 CB SER A 120 -2.820 -12.773 -3.097 1.00 0.00 C ATOM 1464 OG SER A 120 -3.306 -11.543 -2.587 1.00 0.00 O ATOM 0 H SER A 120 -2.371 -12.661 -0.722 1.00 0.00 H new ATOM 0 HA SER A 120 -4.263 -14.117 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.737 -12.724 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.235 -12.951 -4.089 1.00 0.00 H new ATOM 0 HG SER A 120 -2.582 -10.883 -2.579 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.239 -16.172 -3.086 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.668 -17.399 -3.628 1.00 0.00 C ATOM 1472 C ARG A 121 -2.672 -17.354 -5.154 1.00 0.00 C ATOM 1473 O ARG A 121 -2.372 -18.343 -5.825 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.449 -18.616 -3.131 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.392 -18.800 -1.621 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.254 -19.966 -1.165 1.00 0.00 C ATOM 1477 NE ARG A 121 -3.869 -21.226 -1.804 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.743 -22.164 -2.154 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -6.036 -21.968 -1.952 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -4.339 -23.292 -2.713 1.00 0.00 N ATOM 0 H ARG A 121 -4.258 -16.131 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.637 -17.485 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.490 -18.519 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.056 -19.511 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.360 -18.968 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.726 -17.886 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.176 -20.071 -0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.299 -19.752 -1.390 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.880 -21.392 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.360 -21.098 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.709 -22.686 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.345 -23.451 -2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.021 -24.003 -2.977 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.013 -16.192 -5.690 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.052 -15.981 -7.129 1.00 0.00 C ATOM 1495 C ASN A 122 -1.913 -15.058 -7.543 1.00 0.00 C ATOM 1496 O ASN A 122 -1.664 -14.040 -6.897 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.406 -15.386 -7.561 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.755 -14.081 -6.853 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.404 -13.868 -5.690 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.463 -13.202 -7.545 1.00 0.00 N ATOM 0 H ASN A 122 -3.270 -15.371 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.933 -16.944 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.390 -15.213 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.192 -16.116 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.735 -12.316 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.737 -13.410 -8.505 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.209 -15.418 -8.611 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.060 -14.632 -9.053 1.00 0.00 C ATOM 1509 C ASP A 123 -0.508 -13.385 -9.809 1.00 0.00 C ATOM 1510 O ASP A 123 0.307 -12.521 -10.124 1.00 0.00 O ATOM 1511 CB ASP A 123 0.898 -15.462 -9.919 1.00 0.00 C ATOM 1512 CG ASP A 123 0.263 -15.963 -11.199 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.222 -15.207 -12.188 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -0.186 -17.127 -11.226 1.00 0.00 O ATOM 0 H ASP A 123 -1.410 -16.239 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 123 0.480 -14.323 -8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.770 -14.857 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.255 -16.314 -9.340 1.00 0.00 H new ATOM 1519 N MET A 124 -1.804 -13.296 -10.086 1.00 0.00 N ATOM 1520 CA MET A 124 -2.374 -12.113 -10.720 1.00 0.00 C ATOM 1521 C MET A 124 -2.419 -10.963 -9.715 1.00 0.00 C ATOM 1522 O MET A 124 -3.460 -10.667 -9.127 1.00 0.00 O ATOM 1523 CB MET A 124 -3.779 -12.414 -11.258 1.00 0.00 C ATOM 1524 CG MET A 124 -4.443 -11.225 -11.935 1.00 0.00 C ATOM 1525 SD MET A 124 -3.483 -10.579 -13.320 1.00 0.00 S ATOM 1526 CE MET A 124 -4.481 -9.166 -13.786 1.00 0.00 C ATOM 0 H MET A 124 -2.481 -14.031 -9.881 1.00 0.00 H new ATOM 0 HA MET A 124 -1.745 -11.824 -11.562 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.717 -13.238 -11.969 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.409 -12.750 -10.435 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.430 -11.520 -12.290 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.592 -10.432 -11.202 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.019 -8.658 -14.633 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.480 -9.502 -14.065 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.552 -8.477 -12.944 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.275 -10.332 -9.509 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.153 -9.282 -8.518 1.00 0.00 C ATOM 1538 C CYS A 125 -0.162 -8.216 -8.969 1.00 0.00 C ATOM 1539 O CYS A 125 0.858 -8.515 -9.598 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.708 -9.881 -7.178 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.307 -8.650 -5.893 1.00 0.00 S ATOM 0 H CYS A 125 -0.415 -10.532 -10.019 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.128 -8.809 -8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.499 -10.532 -6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.167 -10.508 -7.348 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.482 -6.972 -8.653 1.00 0.00 N ATOM 1547 CA HIS A 126 0.395 -5.851 -8.933 1.00 0.00 C ATOM 1548 C HIS A 126 0.800 -5.198 -7.621 1.00 0.00 C ATOM 1549 O HIS A 126 -0.044 -4.970 -6.754 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.298 -4.831 -9.847 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.461 -5.303 -11.262 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.647 -5.217 -11.966 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.435 -5.862 -12.108 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.469 -5.703 -13.181 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.215 -6.101 -13.290 1.00 0.00 N ATOM 0 H HIS A 126 -1.356 -6.713 -8.196 1.00 0.00 H new ATOM 0 HA HIS A 126 1.283 -6.212 -9.451 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.280 -4.596 -9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.278 -3.905 -9.846 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.471 -6.079 -11.892 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.221 -5.764 -13.954 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.203 -6.519 -14.121 1.00 0.00 H new ATOM 1563 N SER A 127 2.086 -4.928 -7.464 1.00 0.00 N ATOM 1564 CA SER A 127 2.588 -4.334 -6.237 1.00 0.00 C ATOM 1565 C SER A 127 2.129 -2.885 -6.122 1.00 0.00 C ATOM 1566 O SER A 127 2.322 -2.089 -7.048 1.00 0.00 O ATOM 1567 CB SER A 127 4.114 -4.416 -6.202 1.00 0.00 C ATOM 1568 OG SER A 127 4.547 -5.761 -6.333 1.00 0.00 O ATOM 0 H SER A 127 2.799 -5.111 -8.170 1.00 0.00 H new ATOM 0 HA SER A 127 2.188 -4.889 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.534 -3.813 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.484 -3.999 -5.265 1.00 0.00 H new ATOM 0 HG SER A 127 5.055 -5.861 -7.165 1.00 0.00 H new ATOM 1574 N LEU A 128 1.508 -2.558 -4.995 1.00 0.00 N ATOM 1575 CA LEU A 128 0.988 -1.217 -4.770 1.00 0.00 C ATOM 1576 C LEU A 128 2.134 -0.240 -4.548 1.00 0.00 C ATOM 1577 O LEU A 128 2.899 -0.364 -3.588 1.00 0.00 O ATOM 1578 CB LEU A 128 0.043 -1.198 -3.566 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.756 0.096 -3.376 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.795 0.251 -4.475 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.419 0.117 -2.009 1.00 0.00 C ATOM 0 H LEU A 128 1.353 -3.205 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 128 0.428 -0.914 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.658 -2.027 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.628 -1.379 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.065 0.937 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.351 1.176 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.297 0.283 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.482 -0.595 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.982 1.043 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.096 -0.733 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.656 0.056 -1.233 1.00 0.00 H new ATOM 1593 N GLY A 129 2.253 0.718 -5.447 1.00 0.00 N ATOM 1594 CA GLY A 129 3.307 1.697 -5.350 1.00 0.00 C ATOM 1595 C GLY A 129 2.795 3.039 -4.889 1.00 0.00 C ATOM 1596 O GLY A 129 1.717 3.476 -5.305 1.00 0.00 O ATOM 0 H GLY A 129 1.633 0.835 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.068 1.342 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.789 1.808 -6.321 1.00 0.00 H new ATOM 1600 N LEU A 130 3.564 3.689 -4.032 1.00 0.00 N ATOM 1601 CA LEU A 130 3.200 4.994 -3.522 1.00 0.00 C ATOM 1602 C LEU A 130 4.344 5.974 -3.764 1.00 0.00 C ATOM 1603 O LEU A 130 5.513 5.631 -3.581 1.00 0.00 O ATOM 1604 CB LEU A 130 2.887 4.902 -2.026 1.00 0.00 C ATOM 1605 CG LEU A 130 2.465 6.216 -1.354 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.180 6.751 -1.963 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.301 6.013 0.144 1.00 0.00 C ATOM 0 H LEU A 130 4.449 3.329 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 130 2.311 5.350 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.092 4.170 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.768 4.519 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 130 3.250 6.953 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.903 7.682 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.331 6.935 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.383 6.020 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.002 6.953 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.536 5.258 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.247 5.682 0.572 1.00 0.00 H new ATOM 1619 N THR A 131 4.009 7.171 -4.213 1.00 0.00 N ATOM 1620 CA THR A 131 5.000 8.209 -4.433 1.00 0.00 C ATOM 1621 C THR A 131 4.544 9.527 -3.811 1.00 0.00 C ATOM 1622 O THR A 131 3.612 10.162 -4.299 1.00 0.00 O ATOM 1623 CB THR A 131 5.264 8.414 -5.939 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.629 7.163 -6.545 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.371 9.434 -6.172 1.00 0.00 C ATOM 0 H THR A 131 3.053 7.449 -4.433 1.00 0.00 H new ATOM 0 HA THR A 131 5.926 7.888 -3.956 1.00 0.00 H new ATOM 0 HB THR A 131 4.348 8.792 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.009 6.960 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.534 9.556 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.082 10.391 -5.737 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.291 9.086 -5.703 1.00 0.00 H new ATOM 1633 N CYS A 132 5.190 9.913 -2.727 1.00 0.00 N ATOM 1634 CA CYS A 132 4.890 11.171 -2.061 1.00 0.00 C ATOM 1635 C CYS A 132 5.920 12.216 -2.469 1.00 0.00 C ATOM 1636 O CYS A 132 7.093 11.897 -2.655 1.00 0.00 O ATOM 1637 CB CYS A 132 4.903 10.979 -0.542 1.00 0.00 C ATOM 1638 SG CYS A 132 3.919 9.554 0.026 1.00 0.00 S ATOM 0 H CYS A 132 5.932 9.370 -2.285 1.00 0.00 H new ATOM 0 HA CYS A 132 3.897 11.510 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.933 10.853 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.523 11.884 -0.067 1.00 0.00 H new ATOM 1643 N LEU A 133 5.476 13.458 -2.624 1.00 0.00 N ATOM 1644 CA LEU A 133 6.356 14.535 -3.067 1.00 0.00 C ATOM 1645 C LEU A 133 7.460 14.812 -2.048 1.00 0.00 C ATOM 1646 O LEU A 133 7.216 15.420 -1.005 1.00 0.00 O ATOM 1647 CB LEU A 133 5.553 15.814 -3.311 1.00 0.00 C ATOM 1648 CG LEU A 133 4.531 15.739 -4.446 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.695 17.007 -4.496 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.227 15.513 -5.779 1.00 0.00 C ATOM 0 H LEU A 133 4.513 13.745 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 133 6.821 14.214 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.031 16.076 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.249 16.625 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 133 3.869 14.895 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.973 16.935 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.165 17.131 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.346 17.865 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.483 15.462 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.913 16.337 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.785 14.577 -5.744 1.00 0.00 H new ATOM 1662 N GLU A 134 8.662 14.353 -2.352 1.00 0.00 N ATOM 1663 CA GLU A 134 9.819 14.617 -1.513 1.00 0.00 C ATOM 1664 C GLU A 134 10.763 15.576 -2.227 1.00 0.00 C ATOM 1665 O GLU A 134 11.295 15.201 -3.298 1.00 0.00 O ATOM 1666 CB GLU A 134 10.555 13.317 -1.157 1.00 0.00 C ATOM 1667 CG GLU A 134 11.748 13.537 -0.238 1.00 0.00 C ATOM 1668 CD GLU A 134 12.504 12.263 0.077 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.223 11.760 -0.812 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.412 11.776 1.225 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.968 16.696 -1.719 1.00 0.00 O ATOM 0 H GLU A 134 8.863 13.792 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 134 9.474 15.072 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.857 12.631 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.895 12.836 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.429 14.250 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.403 13.986 0.693 1.00 0.00 H new