USER MOD reduce.3.24.130724 H: found=0, std=0, add=1283, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1280 hydrogens (30 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 NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 113 HIS : no HD1:sc= -0.806 X(o=0.19,f=-0.05) USER MOD Set 1.2: A 117 SER OG : rot 79:sc= 0.992 USER MOD Set 2.1: A 116 HIS : +bothHN:sc= 1.2 K(o=1.2,f=-5.7!) USER MOD Set 2.2: A 128 GLN : amide:sc=-0.00542 K(o=1.2,f=-4.3!) USER MOD Set 3.1: A 26 GLN : amide:sc= 1.14 K(o=1.6,f=-1.3) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -137:sc= 0.424 (180deg=0.13) USER MOD Set 4.1: A 24 HIS : no HE2:sc= -3.38! C(o=-2.4!,f=-13!) USER MOD Set 4.2: A 119 HIS : no HD1:sc= 0.941 K(o=-2.4,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.133 (180deg=-0.897) USER MOD Single : A 3 SER OG : rot -78:sc= 1.13 USER MOD Single : A 8 GLN : amide:sc= 0.967 K(o=0.97,f=-0.72) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.494) USER MOD Single : A 35 SER OG : rot 81:sc= 1.04 USER MOD Single : A 36 HIS : no HD1:sc= 0.679 K(o=0.68,f=-2.9!) USER MOD Single : A 39 THR OG1 : rot -80:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.2 (180deg=1.13) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0.713 (180deg=-0.115) USER MOD Single : A 48 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.9!) USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= -0.226 (180deg=-1.24) USER MOD Single : A 51 THR OG1 : rot 166:sc= 1.35 USER MOD Single : A 55 MET CE :methyl -171:sc= -0.0061 (180deg=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 57:sc= 1.14 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-1.4) USER MOD Single : A 67 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 70 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc=-0.00217 (180deg=-0.0406) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.944) USER MOD Single : A 81 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-1.2) USER MOD Single : A 82 HIS : no HE2:sc= 0.516 K(o=0.52,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0436) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 152:sc= 1.46 USER MOD Single : A 95 THR OG1 : rot -51:sc= 1.22 USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= -0.302 (180deg=-0.839) USER MOD Single : A 97 HIS : no HD1:sc= 0.146 K(o=0.15,f=-4.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0385) USER MOD Single : A 103 TYR OH : rot -148:sc= 1.1 USER MOD Single : A 108 SER OG : rot -110:sc= -0.226 USER MOD Single : A 131 MET CE :methyl 173:sc= -0.0739 (180deg=-0.164) USER MOD Single : A 132 ASN : amide:sc= 0.632 K(o=0.63,f=-0.03) USER MOD Single : A 133 LYS NZ :NH3+ 168:sc= 1.46 (180deg=1.2) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 LYS NZ :NH3+ 169:sc= 0.971 (180deg=0.897) USER MOD Single : A 146 TYR OH : rot -170:sc= 1.27 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 30:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0.575 K(o=0.57,f=-6.2!) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.363 (180deg=-0.363) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -0.511 (180deg=-0.511) USER MOD Single : A 154 HEM CMC :methyl 150:sc= -3.78! (180deg=-3.78!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -2.6! (180deg=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.475 1.703 2.704 1.00 0.00 N ATOM 2 CA VAL A 1 18.787 1.110 2.902 1.00 0.00 C ATOM 3 C VAL A 1 18.616 -0.404 3.065 1.00 0.00 C ATOM 4 O VAL A 1 18.747 -0.954 4.159 1.00 0.00 O ATOM 5 CB VAL A 1 19.506 1.780 4.089 1.00 0.00 C ATOM 6 CG1 VAL A 1 20.958 1.291 4.202 1.00 0.00 C ATOM 7 CG2 VAL A 1 19.533 3.308 3.930 1.00 0.00 C ATOM 0 H1 VAL A 1 17.580 2.639 2.264 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.907 1.091 2.084 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.997 1.804 3.622 1.00 0.00 H new ATOM 0 HA VAL A 1 19.427 1.280 2.036 1.00 0.00 H new ATOM 0 HB VAL A 1 18.950 1.509 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 1 21.442 1.780 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 1 20.968 0.212 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 1 21.496 1.534 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 1 20.046 3.753 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 1 20.060 3.569 3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 1 18.512 3.687 3.883 1.00 0.00 H new ATOM 19 N LEU A 2 18.285 -1.078 1.960 1.00 0.00 N ATOM 20 CA LEU A 2 18.104 -2.515 1.933 1.00 0.00 C ATOM 21 C LEU A 2 19.243 -3.131 1.131 1.00 0.00 C ATOM 22 O LEU A 2 19.537 -2.673 0.028 1.00 0.00 O ATOM 23 CB LEU A 2 16.769 -2.894 1.281 1.00 0.00 C ATOM 24 CG LEU A 2 15.540 -2.715 2.180 1.00 0.00 C ATOM 25 CD1 LEU A 2 15.143 -1.244 2.342 1.00 0.00 C ATOM 26 CD2 LEU A 2 14.373 -3.481 1.553 1.00 0.00 C ATOM 0 H LEU A 2 18.136 -0.629 1.056 1.00 0.00 H new ATOM 0 HA LEU A 2 18.102 -2.889 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 2 16.635 -2.291 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.819 -3.935 0.962 1.00 0.00 H new ATOM 0 HG LEU A 2 15.785 -3.097 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.268 -1.172 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 2 15.969 -0.691 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 2 14.909 -0.821 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.486 -3.368 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.170 -3.084 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.630 -4.537 1.477 1.00 0.00 H new ATOM 38 N SER A 3 19.868 -4.175 1.677 1.00 0.00 N ATOM 39 CA SER A 3 20.923 -4.899 0.990 1.00 0.00 C ATOM 40 C SER A 3 20.310 -5.751 -0.124 1.00 0.00 C ATOM 41 O SER A 3 19.094 -5.950 -0.172 1.00 0.00 O ATOM 42 CB SER A 3 21.669 -5.784 1.994 1.00 0.00 C ATOM 43 OG SER A 3 20.772 -6.715 2.571 1.00 0.00 O ATOM 0 H SER A 3 19.653 -4.537 2.606 1.00 0.00 H new ATOM 0 HA SER A 3 21.630 -4.197 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.483 -6.310 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.118 -5.168 2.772 1.00 0.00 H new ATOM 0 HG SER A 3 20.233 -6.268 3.257 1.00 0.00 H new ATOM 49 N GLU A 4 21.161 -6.270 -1.012 1.00 0.00 N ATOM 50 CA GLU A 4 20.744 -7.157 -2.087 1.00 0.00 C ATOM 51 C GLU A 4 19.917 -8.321 -1.528 1.00 0.00 C ATOM 52 O GLU A 4 18.886 -8.673 -2.093 1.00 0.00 O ATOM 53 CB GLU A 4 21.993 -7.642 -2.844 1.00 0.00 C ATOM 54 CG GLU A 4 21.682 -8.613 -3.992 1.00 0.00 C ATOM 55 CD GLU A 4 20.746 -8.037 -5.054 1.00 0.00 C ATOM 56 OE1 GLU A 4 20.802 -6.807 -5.263 1.00 0.00 O ATOM 57 OE2 GLU A 4 20.001 -8.845 -5.651 1.00 0.00 O ATOM 0 H GLU A 4 22.163 -6.082 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 4 20.103 -6.624 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.522 -6.778 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 4 22.667 -8.130 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 4 22.617 -8.909 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.234 -9.517 -3.579 1.00 0.00 H new ATOM 64 N GLY A 5 20.365 -8.920 -0.422 1.00 0.00 N ATOM 65 CA GLY A 5 19.656 -10.023 0.211 1.00 0.00 C ATOM 66 C GLY A 5 18.243 -9.597 0.612 1.00 0.00 C ATOM 67 O GLY A 5 17.263 -10.269 0.290 1.00 0.00 O ATOM 0 H GLY A 5 21.226 -8.652 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.606 -10.870 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.204 -10.357 1.092 1.00 0.00 H new ATOM 71 N GLU A 6 18.136 -8.453 1.294 1.00 0.00 N ATOM 72 CA GLU A 6 16.852 -7.918 1.719 1.00 0.00 C ATOM 73 C GLU A 6 15.954 -7.653 0.506 1.00 0.00 C ATOM 74 O GLU A 6 14.772 -7.994 0.529 1.00 0.00 O ATOM 75 CB GLU A 6 17.083 -6.666 2.565 1.00 0.00 C ATOM 76 CG GLU A 6 17.715 -7.030 3.915 1.00 0.00 C ATOM 77 CD GLU A 6 18.168 -5.785 4.663 1.00 0.00 C ATOM 78 OE1 GLU A 6 19.170 -5.194 4.201 1.00 0.00 O ATOM 79 OE2 GLU A 6 17.509 -5.438 5.664 1.00 0.00 O ATOM 0 H GLU A 6 18.935 -7.879 1.563 1.00 0.00 H new ATOM 0 HA GLU A 6 16.329 -8.647 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.733 -5.974 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.136 -6.152 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.994 -7.579 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.567 -7.691 3.755 1.00 0.00 H new ATOM 86 N TRP A 7 16.493 -7.035 -0.551 1.00 0.00 N ATOM 87 CA TRP A 7 15.715 -6.851 -1.763 1.00 0.00 C ATOM 88 C TRP A 7 15.258 -8.198 -2.318 1.00 0.00 C ATOM 89 O TRP A 7 14.095 -8.333 -2.678 1.00 0.00 O ATOM 90 CB TRP A 7 16.441 -6.004 -2.819 1.00 0.00 C ATOM 91 CG TRP A 7 16.413 -4.518 -2.598 1.00 0.00 C ATOM 92 CD1 TRP A 7 17.497 -3.726 -2.451 1.00 0.00 C ATOM 93 CD2 TRP A 7 15.254 -3.626 -2.506 1.00 0.00 C ATOM 94 NE1 TRP A 7 17.096 -2.423 -2.247 1.00 0.00 N ATOM 95 CE2 TRP A 7 15.722 -2.306 -2.229 1.00 0.00 C ATOM 96 CE3 TRP A 7 13.854 -3.795 -2.604 1.00 0.00 C ATOM 97 CZ2 TRP A 7 14.851 -1.223 -2.017 1.00 0.00 C ATOM 98 CZ3 TRP A 7 12.972 -2.715 -2.414 1.00 0.00 C ATOM 99 CH2 TRP A 7 13.465 -1.433 -2.110 1.00 0.00 C ATOM 0 H TRP A 7 17.443 -6.665 -0.586 1.00 0.00 H new ATOM 0 HA TRP A 7 14.828 -6.279 -1.493 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.481 -6.326 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 7 16.000 -6.216 -3.793 1.00 0.00 H new ATOM 0 HD1 TRP A 7 18.523 -4.063 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 7 17.738 -1.640 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 7 13.453 -4.772 -2.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 15.242 -0.243 -1.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 11.907 -2.872 -2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 7 12.781 -0.613 -1.949 1.00 0.00 H new ATOM 110 N GLN A 8 16.140 -9.195 -2.399 1.00 0.00 N ATOM 111 CA GLN A 8 15.760 -10.507 -2.910 1.00 0.00 C ATOM 112 C GLN A 8 14.600 -11.082 -2.090 1.00 0.00 C ATOM 113 O GLN A 8 13.623 -11.556 -2.669 1.00 0.00 O ATOM 114 CB GLN A 8 16.965 -11.452 -2.938 1.00 0.00 C ATOM 115 CG GLN A 8 17.905 -11.081 -4.092 1.00 0.00 C ATOM 116 CD GLN A 8 19.169 -11.935 -4.116 1.00 0.00 C ATOM 117 OE1 GLN A 8 19.264 -12.955 -3.441 1.00 0.00 O ATOM 118 NE2 GLN A 8 20.158 -11.522 -4.899 1.00 0.00 N ATOM 0 H GLN A 8 17.117 -9.117 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 8 15.416 -10.397 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.501 -11.397 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.626 -12.482 -3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.376 -11.195 -5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.182 -10.030 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.051 -10.670 -5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 8 21.025 -12.057 -4.950 1.00 0.00 H new ATOM 127 N LEU A 9 14.685 -11.027 -0.754 1.00 0.00 N ATOM 128 CA LEU A 9 13.590 -11.478 0.103 1.00 0.00 C ATOM 129 C LEU A 9 12.310 -10.731 -0.274 1.00 0.00 C ATOM 130 O LEU A 9 11.312 -11.355 -0.634 1.00 0.00 O ATOM 131 CB LEU A 9 13.916 -11.277 1.592 1.00 0.00 C ATOM 132 CG LEU A 9 15.068 -12.152 2.111 1.00 0.00 C ATOM 133 CD1 LEU A 9 15.358 -11.778 3.570 1.00 0.00 C ATOM 134 CD2 LEU A 9 14.738 -13.649 2.037 1.00 0.00 C ATOM 0 H LEU A 9 15.499 -10.676 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 9 13.447 -12.547 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.167 -10.230 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.022 -11.488 2.179 1.00 0.00 H new ATOM 0 HG LEU A 9 15.936 -11.970 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.174 -12.393 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.640 -10.727 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.466 -11.948 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.582 -14.227 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.856 -13.857 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.542 -13.928 1.002 1.00 0.00 H new ATOM 146 N VAL A 10 12.380 -9.396 -0.315 1.00 0.00 N ATOM 147 CA VAL A 10 11.235 -8.555 -0.636 1.00 0.00 C ATOM 148 C VAL A 10 10.613 -8.966 -1.974 1.00 0.00 C ATOM 149 O VAL A 10 9.446 -9.337 -2.028 1.00 0.00 O ATOM 150 CB VAL A 10 11.665 -7.077 -0.605 1.00 0.00 C ATOM 151 CG1 VAL A 10 10.666 -6.123 -1.265 1.00 0.00 C ATOM 152 CG2 VAL A 10 11.838 -6.649 0.854 1.00 0.00 C ATOM 0 H VAL A 10 13.235 -8.873 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 10 10.455 -8.690 0.113 1.00 0.00 H new ATOM 0 HB VAL A 10 12.593 -7.012 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.042 -5.102 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.537 -6.398 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.707 -6.189 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.143 -5.603 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.893 -6.771 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.601 -7.267 1.326 1.00 0.00 H new ATOM 162 N LEU A 11 11.390 -8.928 -3.056 1.00 0.00 N ATOM 163 CA LEU A 11 10.923 -9.292 -4.387 1.00 0.00 C ATOM 164 C LEU A 11 10.368 -10.718 -4.422 1.00 0.00 C ATOM 165 O LEU A 11 9.357 -10.971 -5.080 1.00 0.00 O ATOM 166 CB LEU A 11 12.042 -9.080 -5.415 1.00 0.00 C ATOM 167 CG LEU A 11 12.525 -7.618 -5.491 1.00 0.00 C ATOM 168 CD1 LEU A 11 13.705 -7.518 -6.464 1.00 0.00 C ATOM 169 CD2 LEU A 11 11.424 -6.643 -5.923 1.00 0.00 C ATOM 0 H LEU A 11 12.368 -8.641 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 11 10.094 -8.636 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.886 -9.722 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.688 -9.391 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 11 12.829 -7.331 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.046 -6.484 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.520 -8.151 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.389 -7.847 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.827 -5.631 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.059 -6.922 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.602 -6.682 -5.208 1.00 0.00 H new ATOM 181 N HIS A 12 11.017 -11.657 -3.731 1.00 0.00 N ATOM 182 CA HIS A 12 10.524 -13.021 -3.665 1.00 0.00 C ATOM 183 C HIS A 12 9.125 -13.040 -3.051 1.00 0.00 C ATOM 184 O HIS A 12 8.178 -13.502 -3.683 1.00 0.00 O ATOM 185 CB HIS A 12 11.503 -13.918 -2.896 1.00 0.00 C ATOM 186 CG HIS A 12 10.965 -15.309 -2.676 1.00 0.00 C ATOM 187 ND1 HIS A 12 10.517 -15.828 -1.472 1.00 0.00 N ATOM 188 CD2 HIS A 12 10.710 -16.225 -3.657 1.00 0.00 C ATOM 189 CE1 HIS A 12 10.022 -17.054 -1.722 1.00 0.00 C ATOM 190 NE2 HIS A 12 10.127 -17.313 -3.039 1.00 0.00 N ATOM 0 H HIS A 12 11.881 -11.493 -3.214 1.00 0.00 H new ATOM 0 HA HIS A 12 10.451 -13.424 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.443 -13.979 -3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.727 -13.462 -1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.923 -16.119 -4.710 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.607 -17.724 -0.984 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.826 -18.170 -3.503 1.00 0.00 H new ATOM 199 N VAL A 13 8.978 -12.525 -1.828 1.00 0.00 N ATOM 200 CA VAL A 13 7.676 -12.478 -1.172 1.00 0.00 C ATOM 201 C VAL A 13 6.684 -11.689 -2.038 1.00 0.00 C ATOM 202 O VAL A 13 5.544 -12.103 -2.234 1.00 0.00 O ATOM 203 CB VAL A 13 7.807 -11.925 0.255 1.00 0.00 C ATOM 204 CG1 VAL A 13 6.428 -11.834 0.916 1.00 0.00 C ATOM 205 CG2 VAL A 13 8.704 -12.851 1.087 1.00 0.00 C ATOM 0 H VAL A 13 9.743 -12.137 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 13 7.278 -13.488 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 13 8.248 -10.930 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.534 -11.441 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.789 -11.170 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.979 -12.826 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.795 -12.456 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.263 -13.847 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.692 -12.908 0.629 1.00 0.00 H new ATOM 215 N TRP A 14 7.147 -10.634 -2.709 1.00 0.00 N ATOM 216 CA TRP A 14 6.273 -9.813 -3.522 1.00 0.00 C ATOM 217 C TRP A 14 5.729 -10.614 -4.700 1.00 0.00 C ATOM 218 O TRP A 14 4.610 -10.370 -5.146 1.00 0.00 O ATOM 219 CB TRP A 14 6.949 -8.530 -4.010 1.00 0.00 C ATOM 220 CG TRP A 14 5.965 -7.615 -4.661 1.00 0.00 C ATOM 221 CD1 TRP A 14 5.708 -7.544 -5.987 1.00 0.00 C ATOM 222 CD2 TRP A 14 4.986 -6.755 -4.011 1.00 0.00 C ATOM 223 NE1 TRP A 14 4.642 -6.697 -6.201 1.00 0.00 N ATOM 224 CE2 TRP A 14 4.168 -6.169 -5.017 1.00 0.00 C ATOM 225 CE3 TRP A 14 4.689 -6.433 -2.668 1.00 0.00 C ATOM 226 CZ2 TRP A 14 3.112 -5.306 -4.703 1.00 0.00 C ATOM 227 CZ3 TRP A 14 3.659 -5.531 -2.347 1.00 0.00 C ATOM 228 CH2 TRP A 14 2.878 -4.956 -3.365 1.00 0.00 C ATOM 0 H TRP A 14 8.122 -10.335 -2.701 1.00 0.00 H new ATOM 0 HA TRP A 14 5.444 -9.508 -2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 14 7.421 -8.022 -3.169 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.741 -8.779 -4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 14 6.253 -8.069 -6.758 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.252 -6.487 -7.120 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.263 -6.887 -1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.481 -4.912 -5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.467 -5.279 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.101 -4.248 -3.118 1.00 0.00 H new ATOM 239 N ALA A 15 6.514 -11.547 -5.243 1.00 0.00 N ATOM 240 CA ALA A 15 5.995 -12.409 -6.287 1.00 0.00 C ATOM 241 C ALA A 15 4.738 -13.150 -5.817 1.00 0.00 C ATOM 242 O ALA A 15 3.878 -13.469 -6.635 1.00 0.00 O ATOM 243 CB ALA A 15 7.075 -13.378 -6.772 1.00 0.00 C ATOM 0 H ALA A 15 7.485 -11.717 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 15 5.704 -11.786 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.666 -14.016 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.919 -12.813 -7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.410 -13.996 -5.939 1.00 0.00 H new ATOM 249 N LYS A 16 4.598 -13.398 -4.510 1.00 0.00 N ATOM 250 CA LYS A 16 3.415 -14.059 -3.981 1.00 0.00 C ATOM 251 C LYS A 16 2.214 -13.118 -4.103 1.00 0.00 C ATOM 252 O LYS A 16 1.162 -13.524 -4.593 1.00 0.00 O ATOM 253 CB LYS A 16 3.644 -14.523 -2.543 1.00 0.00 C ATOM 254 CG LYS A 16 4.949 -15.303 -2.318 1.00 0.00 C ATOM 255 CD LYS A 16 5.034 -16.571 -3.174 1.00 0.00 C ATOM 256 CE LYS A 16 6.317 -17.336 -2.834 1.00 0.00 C ATOM 257 NZ LYS A 16 6.465 -18.534 -3.678 1.00 0.00 N ATOM 0 H LYS A 16 5.292 -13.149 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 16 3.206 -14.956 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.641 -13.650 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.805 -15.150 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.797 -14.658 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.029 -15.574 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.164 -17.202 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.024 -16.309 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.179 -16.683 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.302 -17.628 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.343 -19.031 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.653 -19.167 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.504 -18.251 -4.678 1.00 0.00 H new ATOM 271 N VAL A 17 2.409 -11.836 -3.769 1.00 0.00 N ATOM 272 CA VAL A 17 1.388 -10.812 -3.954 1.00 0.00 C ATOM 273 C VAL A 17 1.048 -10.776 -5.444 1.00 0.00 C ATOM 274 O VAL A 17 -0.107 -10.935 -5.832 1.00 0.00 O ATOM 275 CB VAL A 17 1.871 -9.446 -3.408 1.00 0.00 C ATOM 276 CG1 VAL A 17 1.403 -8.247 -4.241 1.00 0.00 C ATOM 277 CG2 VAL A 17 1.543 -9.196 -1.946 1.00 0.00 C ATOM 0 H VAL A 17 3.278 -11.486 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 17 0.486 -11.044 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 17 2.954 -9.530 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.780 -7.326 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.782 -8.341 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.313 -8.221 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.919 -8.216 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.463 -9.228 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.012 -9.965 -1.331 1.00 0.00 H new ATOM 287 N GLU A 18 2.067 -10.563 -6.276 1.00 0.00 N ATOM 288 CA GLU A 18 1.943 -10.435 -7.718 1.00 0.00 C ATOM 289 C GLU A 18 1.241 -11.642 -8.358 1.00 0.00 C ATOM 290 O GLU A 18 0.591 -11.503 -9.392 1.00 0.00 O ATOM 291 CB GLU A 18 3.323 -10.152 -8.331 1.00 0.00 C ATOM 292 CG GLU A 18 3.227 -9.320 -9.621 1.00 0.00 C ATOM 293 CD GLU A 18 2.796 -7.877 -9.351 1.00 0.00 C ATOM 294 OE1 GLU A 18 3.594 -7.153 -8.714 1.00 0.00 O ATOM 295 OE2 GLU A 18 1.676 -7.522 -9.774 1.00 0.00 O ATOM 0 H GLU A 18 3.029 -10.473 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 18 1.295 -9.586 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.940 -9.623 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.823 -11.096 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.194 -9.320 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.515 -9.788 -10.301 1.00 0.00 H new ATOM 302 N ALA A 19 1.423 -12.845 -7.808 1.00 0.00 N ATOM 303 CA ALA A 19 0.721 -14.006 -8.329 1.00 0.00 C ATOM 304 C ALA A 19 -0.799 -13.850 -8.206 1.00 0.00 C ATOM 305 O ALA A 19 -1.536 -14.405 -9.018 1.00 0.00 O ATOM 306 CB ALA A 19 1.218 -15.283 -7.648 1.00 0.00 C ATOM 0 H ALA A 19 2.039 -13.033 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 19 0.942 -14.086 -9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.682 -16.142 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.285 -15.402 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.042 -15.215 -6.575 1.00 0.00 H new ATOM 312 N ASP A 20 -1.276 -13.068 -7.234 1.00 0.00 N ATOM 313 CA ASP A 20 -2.691 -12.810 -7.035 1.00 0.00 C ATOM 314 C ASP A 20 -2.870 -11.350 -6.610 1.00 0.00 C ATOM 315 O ASP A 20 -3.355 -11.057 -5.512 1.00 0.00 O ATOM 316 CB ASP A 20 -3.266 -13.839 -6.051 1.00 0.00 C ATOM 317 CG ASP A 20 -4.731 -13.577 -5.710 1.00 0.00 C ATOM 318 OD1 ASP A 20 -5.420 -12.936 -6.535 1.00 0.00 O ATOM 319 OD2 ASP A 20 -5.127 -14.005 -4.603 1.00 0.00 O ATOM 0 H ASP A 20 -0.677 -12.594 -6.558 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.260 -12.935 -7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.170 -14.837 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.677 -13.827 -5.134 1.00 0.00 H new ATOM 324 N VAL A 21 -2.502 -10.450 -7.533 1.00 0.00 N ATOM 325 CA VAL A 21 -2.510 -9.004 -7.345 1.00 0.00 C ATOM 326 C VAL A 21 -3.869 -8.547 -6.820 1.00 0.00 C ATOM 327 O VAL A 21 -3.963 -7.922 -5.770 1.00 0.00 O ATOM 328 CB VAL A 21 -2.186 -8.250 -8.658 1.00 0.00 C ATOM 329 CG1 VAL A 21 -1.533 -6.908 -8.307 1.00 0.00 C ATOM 330 CG2 VAL A 21 -1.282 -8.975 -9.657 1.00 0.00 C ATOM 0 H VAL A 21 -2.180 -10.725 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.734 -8.768 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.147 -8.148 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.299 -6.366 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.220 -6.317 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.615 -7.086 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.130 -8.345 -10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.320 -9.186 -9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.752 -9.911 -9.960 1.00 0.00 H new ATOM 340 N ALA A 22 -4.934 -8.876 -7.557 1.00 0.00 N ATOM 341 CA ALA A 22 -6.296 -8.492 -7.219 1.00 0.00 C ATOM 342 C ALA A 22 -6.709 -9.007 -5.844 1.00 0.00 C ATOM 343 O ALA A 22 -7.329 -8.275 -5.080 1.00 0.00 O ATOM 344 CB ALA A 22 -7.261 -9.009 -8.292 1.00 0.00 C ATOM 0 H ALA A 22 -4.867 -9.424 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.338 -7.403 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.280 -8.719 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.995 -8.580 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.196 -10.096 -8.347 1.00 0.00 H new ATOM 350 N GLY A 23 -6.398 -10.268 -5.536 1.00 0.00 N ATOM 351 CA GLY A 23 -6.786 -10.868 -4.270 1.00 0.00 C ATOM 352 C GLY A 23 -6.105 -10.125 -3.131 1.00 0.00 C ATOM 353 O GLY A 23 -6.779 -9.527 -2.292 1.00 0.00 O ATOM 0 H GLY A 23 -5.876 -10.891 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.869 -10.825 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.505 -11.921 -4.252 1.00 0.00 H new ATOM 357 N HIS A 24 -4.764 -10.050 -3.183 1.00 0.00 N ATOM 358 CA HIS A 24 -4.009 -9.358 -2.145 1.00 0.00 C ATOM 359 C HIS A 24 -4.520 -7.920 -2.064 1.00 0.00 C ATOM 360 O HIS A 24 -4.878 -7.438 -1.003 1.00 0.00 O ATOM 361 CB HIS A 24 -2.490 -9.387 -2.418 1.00 0.00 C ATOM 362 CG HIS A 24 -1.842 -10.743 -2.244 1.00 0.00 C ATOM 363 ND1 HIS A 24 -2.012 -11.821 -3.088 1.00 0.00 N ATOM 364 CD2 HIS A 24 -0.876 -11.090 -1.327 1.00 0.00 C ATOM 365 CE1 HIS A 24 -1.222 -12.818 -2.640 1.00 0.00 C ATOM 366 NE2 HIS A 24 -0.505 -12.418 -1.575 1.00 0.00 N ATOM 0 H HIS A 24 -4.194 -10.457 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.159 -9.868 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.311 -9.042 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.001 -8.677 -1.750 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.624 -11.857 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.475 -10.452 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.172 -13.804 -3.077 1.00 0.00 H new ATOM 374 N GLY A 25 -4.586 -7.240 -3.204 1.00 0.00 N ATOM 375 CA GLY A 25 -4.994 -5.847 -3.340 1.00 0.00 C ATOM 376 C GLY A 25 -6.341 -5.574 -2.678 1.00 0.00 C ATOM 377 O GLY A 25 -6.451 -4.720 -1.799 1.00 0.00 O ATOM 0 H GLY A 25 -4.345 -7.665 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.235 -5.203 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.052 -5.589 -4.397 1.00 0.00 H new ATOM 381 N GLN A 26 -7.367 -6.349 -3.043 1.00 0.00 N ATOM 382 CA GLN A 26 -8.689 -6.138 -2.479 1.00 0.00 C ATOM 383 C GLN A 26 -8.593 -6.420 -0.984 1.00 0.00 C ATOM 384 O GLN A 26 -8.865 -5.526 -0.192 1.00 0.00 O ATOM 385 CB GLN A 26 -9.754 -7.015 -3.153 1.00 0.00 C ATOM 386 CG GLN A 26 -11.161 -6.571 -2.708 1.00 0.00 C ATOM 387 CD GLN A 26 -12.261 -7.519 -3.175 1.00 0.00 C ATOM 388 OE1 GLN A 26 -11.997 -8.669 -3.504 1.00 0.00 O ATOM 389 NE2 GLN A 26 -13.510 -7.059 -3.200 1.00 0.00 N ATOM 0 H GLN A 26 -7.303 -7.114 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.008 -5.110 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.666 -6.940 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.594 -8.061 -2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.187 -6.501 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.361 -5.572 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.705 -6.097 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.272 -7.668 -3.498 1.00 0.00 H new ATOM 398 N ASP A 27 -8.158 -7.633 -0.607 1.00 0.00 N ATOM 399 CA ASP A 27 -7.997 -8.048 0.784 1.00 0.00 C ATOM 400 C ASP A 27 -7.317 -6.957 1.617 1.00 0.00 C ATOM 401 O ASP A 27 -7.824 -6.564 2.659 1.00 0.00 O ATOM 402 CB ASP A 27 -7.239 -9.383 0.858 1.00 0.00 C ATOM 403 CG ASP A 27 -7.087 -9.873 2.296 1.00 0.00 C ATOM 404 OD1 ASP A 27 -8.040 -9.676 3.078 1.00 0.00 O ATOM 405 OD2 ASP A 27 -6.018 -10.453 2.582 1.00 0.00 O ATOM 0 H ASP A 27 -7.906 -8.360 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.986 -8.201 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.769 -10.134 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.253 -9.266 0.408 1.00 0.00 H new ATOM 410 N ILE A 28 -6.242 -6.364 1.098 1.00 0.00 N ATOM 411 CA ILE A 28 -5.493 -5.322 1.779 1.00 0.00 C ATOM 412 C ILE A 28 -6.392 -4.108 2.027 1.00 0.00 C ATOM 413 O ILE A 28 -6.449 -3.603 3.148 1.00 0.00 O ATOM 414 CB ILE A 28 -4.208 -4.978 0.987 1.00 0.00 C ATOM 415 CG1 ILE A 28 -3.177 -6.109 1.187 1.00 0.00 C ATOM 416 CG2 ILE A 28 -3.609 -3.640 1.444 1.00 0.00 C ATOM 417 CD1 ILE A 28 -1.989 -6.015 0.234 1.00 0.00 C ATOM 0 H ILE A 28 -5.866 -6.601 0.180 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.167 -5.678 2.756 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.464 -4.884 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.813 -6.083 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.671 -7.071 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.708 -3.429 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.336 -2.843 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.357 -3.697 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.302 -6.839 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.343 -6.071 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.472 -5.068 0.389 1.00 0.00 H new ATOM 429 N LEU A 29 -7.100 -3.619 1.007 1.00 0.00 N ATOM 430 CA LEU A 29 -7.963 -2.483 1.124 1.00 0.00 C ATOM 431 C LEU A 29 -9.136 -2.805 2.048 1.00 0.00 C ATOM 432 O LEU A 29 -9.361 -2.096 3.022 1.00 0.00 O ATOM 433 CB LEU A 29 -8.395 -2.119 -0.294 1.00 0.00 C ATOM 434 CG LEU A 29 -7.314 -1.429 -1.150 1.00 0.00 C ATOM 435 CD1 LEU A 29 -7.921 -0.980 -2.483 1.00 0.00 C ATOM 436 CD2 LEU A 29 -6.694 -0.204 -0.462 1.00 0.00 C ATOM 0 H LEU A 29 -7.077 -4.020 0.070 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.463 -1.627 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.715 -3.027 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.264 -1.463 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.523 -2.163 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.155 -0.493 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.306 -1.848 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.735 -0.279 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.941 0.237 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.472 0.531 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.228 -0.510 0.475 1.00 0.00 H new ATOM 448 N ILE A 30 -9.820 -3.936 1.852 1.00 0.00 N ATOM 449 CA ILE A 30 -10.930 -4.338 2.680 1.00 0.00 C ATOM 450 C ILE A 30 -10.471 -4.409 4.138 1.00 0.00 C ATOM 451 O ILE A 30 -11.143 -3.907 5.034 1.00 0.00 O ATOM 452 CB ILE A 30 -11.483 -5.661 2.098 1.00 0.00 C ATOM 453 CG1 ILE A 30 -12.873 -5.377 1.528 1.00 0.00 C ATOM 454 CG2 ILE A 30 -11.399 -6.851 3.041 1.00 0.00 C ATOM 455 CD1 ILE A 30 -13.523 -6.564 0.813 1.00 0.00 C ATOM 0 H ILE A 30 -9.606 -4.595 1.104 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.751 -3.621 2.677 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.837 -5.997 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.526 -5.057 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.801 -4.544 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.809 -7.734 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.357 -7.033 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.971 -6.640 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -14.505 -6.272 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.896 -6.873 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.632 -7.394 1.511 1.00 0.00 H new ATOM 467 N ARG A 31 -9.294 -4.994 4.356 1.00 0.00 N ATOM 468 CA ARG A 31 -8.701 -5.116 5.683 1.00 0.00 C ATOM 469 C ARG A 31 -8.442 -3.731 6.273 1.00 0.00 C ATOM 470 O ARG A 31 -8.809 -3.470 7.416 1.00 0.00 O ATOM 471 CB ARG A 31 -7.405 -5.944 5.647 1.00 0.00 C ATOM 472 CG ARG A 31 -6.743 -5.941 7.033 1.00 0.00 C ATOM 473 CD ARG A 31 -5.511 -6.844 7.116 1.00 0.00 C ATOM 474 NE ARG A 31 -4.800 -6.611 8.382 1.00 0.00 N ATOM 475 CZ ARG A 31 -5.218 -7.001 9.593 1.00 0.00 C ATOM 476 NH1 ARG A 31 -6.298 -7.779 9.729 1.00 0.00 N ATOM 477 NH2 ARG A 31 -4.547 -6.592 10.673 1.00 0.00 N ATOM 0 H ARG A 31 -8.724 -5.398 3.613 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.408 -5.644 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.625 -6.967 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.720 -5.531 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.455 -4.921 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.472 -6.263 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.811 -7.890 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.847 -6.645 6.275 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.913 -6.110 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.815 -8.083 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.605 -8.068 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.729 -5.991 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.852 -6.880 11.603 1.00 0.00 H new ATOM 491 N LEU A 32 -7.806 -2.846 5.507 1.00 0.00 N ATOM 492 CA LEU A 32 -7.462 -1.502 5.900 1.00 0.00 C ATOM 493 C LEU A 32 -8.739 -0.758 6.316 1.00 0.00 C ATOM 494 O LEU A 32 -8.756 -0.045 7.319 1.00 0.00 O ATOM 495 CB LEU A 32 -6.731 -0.909 4.685 1.00 0.00 C ATOM 496 CG LEU A 32 -6.343 0.555 4.798 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.220 0.753 5.816 1.00 0.00 C ATOM 498 CD2 LEU A 32 -5.935 1.079 3.416 1.00 0.00 C ATOM 0 H LEU A 32 -7.508 -3.067 4.557 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.809 -1.434 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.827 -1.492 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.366 -1.031 3.808 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.202 1.123 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.964 1.811 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.550 0.405 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.343 0.184 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.656 2.130 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.086 0.504 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.772 0.976 2.726 1.00 0.00 H new ATOM 510 N PHE A 33 -9.802 -0.892 5.523 1.00 0.00 N ATOM 511 CA PHE A 33 -11.078 -0.269 5.816 1.00 0.00 C ATOM 512 C PHE A 33 -11.727 -0.859 7.064 1.00 0.00 C ATOM 513 O PHE A 33 -12.172 -0.111 7.928 1.00 0.00 O ATOM 514 CB PHE A 33 -12.010 -0.346 4.591 1.00 0.00 C ATOM 515 CG PHE A 33 -11.436 0.165 3.276 1.00 0.00 C ATOM 516 CD1 PHE A 33 -10.392 1.109 3.268 1.00 0.00 C ATOM 517 CD2 PHE A 33 -11.979 -0.266 2.048 1.00 0.00 C ATOM 518 CE1 PHE A 33 -9.883 1.604 2.060 1.00 0.00 C ATOM 519 CE2 PHE A 33 -11.488 0.258 0.835 1.00 0.00 C ATOM 520 CZ PHE A 33 -10.443 1.200 0.839 1.00 0.00 C ATOM 0 H PHE A 33 -9.795 -1.437 4.661 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.896 0.783 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.310 -1.385 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.915 0.220 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.979 1.456 4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.772 -0.999 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.056 2.299 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.916 -0.065 -0.102 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.075 1.609 -0.090 1.00 0.00 H new ATOM 530 N LYS A 34 -11.829 -2.186 7.155 1.00 0.00 N ATOM 531 CA LYS A 34 -12.442 -2.835 8.311 1.00 0.00 C ATOM 532 C LYS A 34 -11.689 -2.486 9.597 1.00 0.00 C ATOM 533 O LYS A 34 -12.302 -2.200 10.623 1.00 0.00 O ATOM 534 CB LYS A 34 -12.447 -4.360 8.128 1.00 0.00 C ATOM 535 CG LYS A 34 -13.468 -4.820 7.080 1.00 0.00 C ATOM 536 CD LYS A 34 -13.239 -6.310 6.788 1.00 0.00 C ATOM 537 CE LYS A 34 -14.272 -6.880 5.809 1.00 0.00 C ATOM 538 NZ LYS A 34 -15.614 -6.951 6.410 1.00 0.00 N ATOM 0 H LYS A 34 -11.494 -2.832 6.440 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.467 -2.473 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.452 -4.691 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.670 -4.837 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.482 -4.658 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.361 -4.235 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.239 -6.447 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.280 -6.871 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.307 -6.258 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.962 -7.876 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.202 -7.616 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.537 -7.279 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.052 -6.008 6.393 1.00 0.00 H new ATOM 552 N SER A 35 -10.361 -2.593 9.554 1.00 0.00 N ATOM 553 CA SER A 35 -9.491 -2.377 10.700 1.00 0.00 C ATOM 554 C SER A 35 -9.402 -0.894 11.065 1.00 0.00 C ATOM 555 O SER A 35 -9.454 -0.542 12.244 1.00 0.00 O ATOM 556 CB SER A 35 -8.104 -2.962 10.407 1.00 0.00 C ATOM 557 OG SER A 35 -8.217 -4.299 9.958 1.00 0.00 O ATOM 0 H SER A 35 -9.854 -2.837 8.703 1.00 0.00 H new ATOM 0 HA SER A 35 -9.916 -2.889 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.600 -2.359 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.489 -2.924 11.306 1.00 0.00 H new ATOM 0 HG SER A 35 -8.443 -4.306 9.004 1.00 0.00 H new ATOM 563 N HIS A 36 -9.276 -0.017 10.063 1.00 0.00 N ATOM 564 CA HIS A 36 -9.150 1.409 10.292 1.00 0.00 C ATOM 565 C HIS A 36 -10.189 2.163 9.449 1.00 0.00 C ATOM 566 O HIS A 36 -9.822 2.715 8.416 1.00 0.00 O ATOM 567 CB HIS A 36 -7.709 1.839 9.956 1.00 0.00 C ATOM 568 CG HIS A 36 -6.634 1.027 10.636 1.00 0.00 C ATOM 569 ND1 HIS A 36 -6.089 1.262 11.884 1.00 0.00 N ATOM 570 CD2 HIS A 36 -6.003 -0.061 10.102 1.00 0.00 C ATOM 571 CE1 HIS A 36 -5.163 0.313 12.111 1.00 0.00 C ATOM 572 NE2 HIS A 36 -5.093 -0.502 11.041 1.00 0.00 N ATOM 0 H HIS A 36 -9.260 -0.283 9.079 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.344 1.650 11.337 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.567 1.774 8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.583 2.886 10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.183 -0.494 9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.570 0.219 13.009 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.474 -1.307 10.942 1.00 0.00 H new ATOM 581 N PRO A 37 -11.474 2.211 9.841 1.00 0.00 N ATOM 582 CA PRO A 37 -12.531 2.887 9.086 1.00 0.00 C ATOM 583 C PRO A 37 -12.167 4.293 8.598 1.00 0.00 C ATOM 584 O PRO A 37 -12.614 4.733 7.537 1.00 0.00 O ATOM 585 CB PRO A 37 -13.740 2.909 10.026 1.00 0.00 C ATOM 586 CG PRO A 37 -13.541 1.635 10.845 1.00 0.00 C ATOM 587 CD PRO A 37 -12.025 1.588 11.033 1.00 0.00 C ATOM 0 HA PRO A 37 -12.726 2.349 8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.750 3.799 10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.682 2.896 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.066 1.681 11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.911 0.754 10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.723 2.124 11.933 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.673 0.562 11.140 1.00 0.00 H new ATOM 595 N GLU A 38 -11.402 5.027 9.405 1.00 0.00 N ATOM 596 CA GLU A 38 -10.933 6.355 9.081 1.00 0.00 C ATOM 597 C GLU A 38 -10.167 6.440 7.749 1.00 0.00 C ATOM 598 O GLU A 38 -10.034 7.532 7.197 1.00 0.00 O ATOM 599 CB GLU A 38 -10.170 6.938 10.281 1.00 0.00 C ATOM 600 CG GLU A 38 -8.814 6.273 10.594 1.00 0.00 C ATOM 601 CD GLU A 38 -8.871 5.041 11.502 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.963 4.445 11.628 1.00 0.00 O ATOM 603 OE2 GLU A 38 -7.799 4.702 12.049 1.00 0.00 O ATOM 0 H GLU A 38 -11.090 4.700 10.319 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.804 6.985 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.001 8.000 10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.804 6.862 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.345 5.986 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.166 7.015 11.060 1.00 0.00 H new ATOM 610 N THR A 39 -9.653 5.320 7.229 1.00 0.00 N ATOM 611 CA THR A 39 -8.941 5.286 5.954 1.00 0.00 C ATOM 612 C THR A 39 -9.907 5.396 4.772 1.00 0.00 C ATOM 613 O THR A 39 -9.603 6.024 3.759 1.00 0.00 O ATOM 614 CB THR A 39 -8.129 3.985 5.831 1.00 0.00 C ATOM 615 OG1 THR A 39 -8.957 2.849 5.906 1.00 0.00 O ATOM 616 CG2 THR A 39 -7.037 3.900 6.897 1.00 0.00 C ATOM 0 H THR A 39 -9.721 4.410 7.685 1.00 0.00 H new ATOM 0 HA THR A 39 -8.267 6.142 5.930 1.00 0.00 H new ATOM 0 HB THR A 39 -7.655 4.005 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.173 2.663 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.485 2.968 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.355 4.743 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.492 3.929 7.887 1.00 0.00 H new ATOM 624 N LEU A 40 -11.057 4.733 4.886 1.00 0.00 N ATOM 625 CA LEU A 40 -12.077 4.649 3.856 1.00 0.00 C ATOM 626 C LEU A 40 -12.658 6.022 3.580 1.00 0.00 C ATOM 627 O LEU A 40 -12.967 6.337 2.433 1.00 0.00 O ATOM 628 CB LEU A 40 -13.147 3.625 4.267 1.00 0.00 C ATOM 629 CG LEU A 40 -14.310 3.491 3.268 1.00 0.00 C ATOM 630 CD1 LEU A 40 -13.845 3.014 1.891 1.00 0.00 C ATOM 631 CD2 LEU A 40 -15.348 2.503 3.814 1.00 0.00 C ATOM 0 H LEU A 40 -11.308 4.222 5.733 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.635 4.300 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.674 2.651 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.549 3.908 5.240 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.747 4.482 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.703 2.936 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.130 3.728 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.369 2.038 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.170 2.410 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.882 1.528 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.731 2.867 4.767 1.00 0.00 H new ATOM 643 N GLU A 41 -12.804 6.829 4.633 1.00 0.00 N ATOM 644 CA GLU A 41 -13.269 8.200 4.516 1.00 0.00 C ATOM 645 C GLU A 41 -12.535 8.935 3.388 1.00 0.00 C ATOM 646 O GLU A 41 -13.142 9.726 2.671 1.00 0.00 O ATOM 647 CB GLU A 41 -13.076 8.935 5.848 1.00 0.00 C ATOM 648 CG GLU A 41 -13.891 8.298 6.982 1.00 0.00 C ATOM 649 CD GLU A 41 -13.780 9.100 8.277 1.00 0.00 C ATOM 650 OE1 GLU A 41 -12.632 9.409 8.661 1.00 0.00 O ATOM 651 OE2 GLU A 41 -14.846 9.392 8.859 1.00 0.00 O ATOM 0 H GLU A 41 -12.601 6.543 5.591 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.331 8.183 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.019 8.930 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.370 9.978 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.937 8.230 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.542 7.280 7.153 1.00 0.00 H new ATOM 658 N LYS A 42 -11.260 8.598 3.156 1.00 0.00 N ATOM 659 CA LYS A 42 -10.476 9.307 2.147 1.00 0.00 C ATOM 660 C LYS A 42 -10.869 8.938 0.709 1.00 0.00 C ATOM 661 O LYS A 42 -10.651 9.724 -0.210 1.00 0.00 O ATOM 662 CB LYS A 42 -8.983 9.011 2.348 1.00 0.00 C ATOM 663 CG LYS A 42 -8.436 9.549 3.674 1.00 0.00 C ATOM 664 CD LYS A 42 -8.238 11.071 3.666 1.00 0.00 C ATOM 665 CE LYS A 42 -7.728 11.535 5.034 1.00 0.00 C ATOM 666 NZ LYS A 42 -7.452 12.981 5.043 1.00 0.00 N ATOM 0 H LYS A 42 -10.761 7.854 3.644 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.684 10.369 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.824 7.933 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.418 9.448 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.121 9.281 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.484 9.065 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.527 11.350 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.179 11.568 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.468 11.300 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.820 10.988 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.390 13.317 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.551 13.166 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.219 13.484 4.553 1.00 0.00 H new ATOM 680 N PHE A 43 -11.437 7.746 0.504 1.00 0.00 N ATOM 681 CA PHE A 43 -11.765 7.244 -0.820 1.00 0.00 C ATOM 682 C PHE A 43 -13.106 7.766 -1.312 1.00 0.00 C ATOM 683 O PHE A 43 -14.142 7.189 -1.001 1.00 0.00 O ATOM 684 CB PHE A 43 -11.755 5.713 -0.807 1.00 0.00 C ATOM 685 CG PHE A 43 -10.388 5.081 -0.648 1.00 0.00 C ATOM 686 CD1 PHE A 43 -9.781 4.976 0.615 1.00 0.00 C ATOM 687 CD2 PHE A 43 -9.663 4.709 -1.790 1.00 0.00 C ATOM 688 CE1 PHE A 43 -8.500 4.417 0.734 1.00 0.00 C ATOM 689 CE2 PHE A 43 -8.421 4.070 -1.663 1.00 0.00 C ATOM 690 CZ PHE A 43 -7.856 3.877 -0.393 1.00 0.00 C ATOM 0 H PHE A 43 -11.680 7.105 1.259 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.008 7.607 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.394 5.368 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.198 5.354 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.301 5.326 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.063 4.916 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.007 4.401 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.899 3.726 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.937 3.320 -0.283 1.00 0.00 H new ATOM 700 N ASP A 44 -13.104 8.745 -2.218 1.00 0.00 N ATOM 701 CA ASP A 44 -14.342 9.279 -2.773 1.00 0.00 C ATOM 702 C ASP A 44 -15.090 8.183 -3.534 1.00 0.00 C ATOM 703 O ASP A 44 -16.319 8.165 -3.547 1.00 0.00 O ATOM 704 CB ASP A 44 -14.048 10.462 -3.709 1.00 0.00 C ATOM 705 CG ASP A 44 -13.508 11.681 -2.963 1.00 0.00 C ATOM 706 OD1 ASP A 44 -14.084 12.001 -1.899 1.00 0.00 O ATOM 707 OD2 ASP A 44 -12.546 12.289 -3.479 1.00 0.00 O ATOM 0 H ASP A 44 -12.257 9.182 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 44 -14.966 9.633 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.325 10.153 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.961 10.739 -4.237 1.00 0.00 H new ATOM 712 N ARG A 45 -14.358 7.277 -4.188 1.00 0.00 N ATOM 713 CA ARG A 45 -14.952 6.211 -4.981 1.00 0.00 C ATOM 714 C ARG A 45 -15.487 5.074 -4.108 1.00 0.00 C ATOM 715 O ARG A 45 -16.480 4.436 -4.469 1.00 0.00 O ATOM 716 CB ARG A 45 -13.897 5.696 -5.964 1.00 0.00 C ATOM 717 CG ARG A 45 -14.445 4.684 -6.984 1.00 0.00 C ATOM 718 CD ARG A 45 -13.432 4.487 -8.119 1.00 0.00 C ATOM 719 NE ARG A 45 -12.087 4.244 -7.582 1.00 0.00 N ATOM 720 CZ ARG A 45 -10.940 4.581 -8.184 1.00 0.00 C ATOM 721 NH1 ARG A 45 -10.927 4.924 -9.476 1.00 0.00 N ATOM 722 NH2 ARG A 45 -9.806 4.579 -7.478 1.00 0.00 N ATOM 0 H ARG A 45 -13.338 7.267 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.809 6.609 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.468 6.543 -6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.087 5.231 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.644 3.731 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.393 5.039 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.737 3.646 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.419 5.370 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.021 3.780 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.796 4.930 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.049 5.179 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.820 4.322 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.926 4.834 -7.926 1.00 0.00 H new ATOM 736 N PHE A 46 -14.787 4.735 -3.017 1.00 0.00 N ATOM 737 CA PHE A 46 -15.177 3.605 -2.194 1.00 0.00 C ATOM 738 C PHE A 46 -16.015 3.941 -0.969 1.00 0.00 C ATOM 739 O PHE A 46 -16.722 3.066 -0.482 1.00 0.00 O ATOM 740 CB PHE A 46 -13.969 2.728 -1.848 1.00 0.00 C ATOM 741 CG PHE A 46 -13.166 2.279 -3.052 1.00 0.00 C ATOM 742 CD1 PHE A 46 -13.789 1.773 -4.211 1.00 0.00 C ATOM 743 CD2 PHE A 46 -11.781 2.494 -3.049 1.00 0.00 C ATOM 744 CE1 PHE A 46 -13.028 1.569 -5.377 1.00 0.00 C ATOM 745 CE2 PHE A 46 -11.039 2.359 -4.229 1.00 0.00 C ATOM 746 CZ PHE A 46 -11.668 1.917 -5.401 1.00 0.00 C ATOM 0 H PHE A 46 -13.955 5.229 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 46 -15.860 3.029 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.314 3.280 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -14.316 1.848 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.844 1.543 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.283 2.766 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.491 1.144 -6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.985 2.595 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 46 -11.107 1.844 -6.321 1.00 0.00 H new ATOM 756 N LYS A 47 -15.961 5.172 -0.462 1.00 0.00 N ATOM 757 CA LYS A 47 -16.728 5.613 0.699 1.00 0.00 C ATOM 758 C LYS A 47 -18.213 5.234 0.599 1.00 0.00 C ATOM 759 O LYS A 47 -18.855 4.972 1.615 1.00 0.00 O ATOM 760 CB LYS A 47 -16.494 7.119 0.885 1.00 0.00 C ATOM 761 CG LYS A 47 -17.393 7.788 1.931 1.00 0.00 C ATOM 762 CD LYS A 47 -16.874 9.169 2.370 1.00 0.00 C ATOM 763 CE LYS A 47 -16.543 10.134 1.221 1.00 0.00 C ATOM 764 NZ LYS A 47 -15.176 9.941 0.700 1.00 0.00 N ATOM 0 H LYS A 47 -15.370 5.904 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 47 -16.379 5.092 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -15.453 7.278 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.644 7.616 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.398 7.896 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.471 7.140 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.622 9.635 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.979 9.028 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.260 9.992 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.655 11.161 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.882 10.788 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.522 9.782 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.159 9.116 0.066 1.00 0.00 H new ATOM 778 N HIS A 48 -18.763 5.188 -0.619 1.00 0.00 N ATOM 779 CA HIS A 48 -20.160 4.837 -0.848 1.00 0.00 C ATOM 780 C HIS A 48 -20.462 3.353 -0.575 1.00 0.00 C ATOM 781 O HIS A 48 -21.629 2.973 -0.456 1.00 0.00 O ATOM 782 CB HIS A 48 -20.575 5.246 -2.272 1.00 0.00 C ATOM 783 CG HIS A 48 -20.321 4.209 -3.342 1.00 0.00 C ATOM 784 ND1 HIS A 48 -19.108 3.869 -3.915 1.00 0.00 N ATOM 785 CD2 HIS A 48 -21.290 3.443 -3.927 1.00 0.00 C ATOM 786 CE1 HIS A 48 -19.347 2.916 -4.834 1.00 0.00 C ATOM 787 NE2 HIS A 48 -20.663 2.646 -4.860 1.00 0.00 N ATOM 0 H HIS A 48 -18.246 5.395 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 48 -20.759 5.395 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -21.638 5.487 -2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -20.042 6.159 -2.540 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -18.199 4.268 -3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -22.346 3.459 -3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -18.599 2.443 -5.453 1.00 0.00 H new ATOM 796 N LEU A 49 -19.445 2.486 -0.562 1.00 0.00 N ATOM 797 CA LEU A 49 -19.633 1.067 -0.321 1.00 0.00 C ATOM 798 C LEU A 49 -19.831 0.796 1.169 1.00 0.00 C ATOM 799 O LEU A 49 -18.994 0.175 1.820 1.00 0.00 O ATOM 800 CB LEU A 49 -18.468 0.244 -0.898 1.00 0.00 C ATOM 801 CG LEU A 49 -18.227 0.467 -2.400 1.00 0.00 C ATOM 802 CD1 LEU A 49 -16.833 -0.046 -2.768 1.00 0.00 C ATOM 803 CD2 LEU A 49 -19.284 -0.252 -3.246 1.00 0.00 C ATOM 0 H LEU A 49 -18.474 2.755 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 49 -20.537 0.750 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -17.557 0.492 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -18.664 -0.814 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.300 1.535 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -16.657 0.110 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.082 0.496 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.765 -1.110 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.086 -0.075 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.245 -1.322 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.273 0.129 -2.993 1.00 0.00 H new ATOM 815 N LYS A 50 -20.944 1.282 1.722 1.00 0.00 N ATOM 816 CA LYS A 50 -21.272 1.016 3.113 1.00 0.00 C ATOM 817 C LYS A 50 -21.650 -0.463 3.267 1.00 0.00 C ATOM 818 O LYS A 50 -21.345 -1.098 4.276 1.00 0.00 O ATOM 819 CB LYS A 50 -22.391 1.967 3.561 1.00 0.00 C ATOM 820 CG LYS A 50 -22.500 2.070 5.091 1.00 0.00 C ATOM 821 CD LYS A 50 -21.761 3.274 5.701 1.00 0.00 C ATOM 822 CE LYS A 50 -20.234 3.254 5.530 1.00 0.00 C ATOM 823 NZ LYS A 50 -19.804 3.759 4.211 1.00 0.00 N ATOM 0 H LYS A 50 -21.626 1.857 1.227 1.00 0.00 H new ATOM 0 HA LYS A 50 -20.414 1.201 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -22.209 2.958 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -23.342 1.621 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -23.553 2.129 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -22.106 1.155 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.150 4.187 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.992 3.321 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.776 3.858 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.871 2.235 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.401 2.978 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.623 4.156 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -19.085 4.499 4.340 1.00 0.00 H new ATOM 837 N THR A 51 -22.294 -1.023 2.244 1.00 0.00 N ATOM 838 CA THR A 51 -22.721 -2.402 2.184 1.00 0.00 C ATOM 839 C THR A 51 -21.529 -3.320 1.889 1.00 0.00 C ATOM 840 O THR A 51 -21.116 -3.488 0.740 1.00 0.00 O ATOM 841 CB THR A 51 -23.818 -2.487 1.116 1.00 0.00 C ATOM 842 OG1 THR A 51 -23.535 -1.570 0.073 1.00 0.00 O ATOM 843 CG2 THR A 51 -25.172 -2.101 1.718 1.00 0.00 C ATOM 0 H THR A 51 -22.538 -0.498 1.404 1.00 0.00 H new ATOM 0 HA THR A 51 -23.124 -2.740 3.139 1.00 0.00 H new ATOM 0 HB THR A 51 -23.851 -3.509 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.099 -1.773 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.943 -2.165 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 51 -25.415 -2.782 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.123 -1.081 2.099 1.00 0.00 H new ATOM 851 N GLU A 52 -21.002 -3.955 2.938 1.00 0.00 N ATOM 852 CA GLU A 52 -19.882 -4.890 2.877 1.00 0.00 C ATOM 853 C GLU A 52 -20.046 -5.895 1.724 1.00 0.00 C ATOM 854 O GLU A 52 -19.094 -6.183 1.003 1.00 0.00 O ATOM 855 CB GLU A 52 -19.736 -5.580 4.243 1.00 0.00 C ATOM 856 CG GLU A 52 -18.273 -5.853 4.614 1.00 0.00 C ATOM 857 CD GLU A 52 -17.589 -6.842 3.676 1.00 0.00 C ATOM 858 OE1 GLU A 52 -18.127 -7.962 3.542 1.00 0.00 O ATOM 859 OE2 GLU A 52 -16.524 -6.471 3.137 1.00 0.00 O ATOM 0 H GLU A 52 -21.357 -3.826 3.885 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.963 -4.345 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -20.191 -4.955 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.285 -6.521 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.721 -4.913 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.229 -6.239 5.633 1.00 0.00 H new ATOM 866 N ALA A 53 -21.269 -6.396 1.516 1.00 0.00 N ATOM 867 CA ALA A 53 -21.573 -7.318 0.426 1.00 0.00 C ATOM 868 C ALA A 53 -21.176 -6.721 -0.931 1.00 0.00 C ATOM 869 O ALA A 53 -20.554 -7.389 -1.756 1.00 0.00 O ATOM 870 CB ALA A 53 -23.062 -7.673 0.452 1.00 0.00 C ATOM 0 H ALA A 53 -22.073 -6.171 2.101 1.00 0.00 H new ATOM 0 HA ALA A 53 -20.990 -8.228 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -23.286 -8.361 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -23.307 -8.145 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -23.654 -6.766 0.334 1.00 0.00 H new ATOM 876 N GLU A 54 -21.479 -5.438 -1.156 1.00 0.00 N ATOM 877 CA GLU A 54 -21.087 -4.772 -2.385 1.00 0.00 C ATOM 878 C GLU A 54 -19.573 -4.628 -2.358 1.00 0.00 C ATOM 879 O GLU A 54 -18.922 -4.910 -3.357 1.00 0.00 O ATOM 880 CB GLU A 54 -21.779 -3.412 -2.581 1.00 0.00 C ATOM 881 CG GLU A 54 -23.202 -3.534 -3.149 1.00 0.00 C ATOM 882 CD GLU A 54 -24.249 -3.894 -2.102 1.00 0.00 C ATOM 883 OE1 GLU A 54 -24.296 -5.079 -1.711 1.00 0.00 O ATOM 884 OE2 GLU A 54 -24.987 -2.965 -1.704 1.00 0.00 O ATOM 0 H GLU A 54 -21.993 -4.849 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.405 -5.373 -3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -21.820 -2.891 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.178 -2.799 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.479 -2.590 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.208 -4.292 -3.932 1.00 0.00 H new ATOM 891 N MET A 55 -18.996 -4.262 -1.207 1.00 0.00 N ATOM 892 CA MET A 55 -17.552 -4.080 -1.090 1.00 0.00 C ATOM 893 C MET A 55 -16.820 -5.343 -1.580 1.00 0.00 C ATOM 894 O MET A 55 -15.972 -5.280 -2.472 1.00 0.00 O ATOM 895 CB MET A 55 -17.177 -3.685 0.345 1.00 0.00 C ATOM 896 CG MET A 55 -15.785 -3.045 0.408 1.00 0.00 C ATOM 897 SD MET A 55 -15.203 -2.598 2.067 1.00 0.00 S ATOM 898 CE MET A 55 -16.417 -1.347 2.537 1.00 0.00 C ATOM 0 H MET A 55 -19.512 -4.087 -0.345 1.00 0.00 H new ATOM 0 HA MET A 55 -17.230 -3.259 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 55 -17.917 -2.987 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.202 -4.567 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 55 -15.067 -3.735 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.789 -2.147 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 55 -16.102 -0.864 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.495 -0.601 1.746 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.388 -1.820 2.687 1.00 0.00 H new ATOM 908 N LYS A 56 -17.257 -6.520 -1.116 1.00 0.00 N ATOM 909 CA LYS A 56 -16.691 -7.801 -1.535 1.00 0.00 C ATOM 910 C LYS A 56 -16.785 -7.970 -3.057 1.00 0.00 C ATOM 911 O LYS A 56 -15.862 -8.488 -3.683 1.00 0.00 O ATOM 912 CB LYS A 56 -17.425 -8.956 -0.839 1.00 0.00 C ATOM 913 CG LYS A 56 -17.113 -9.024 0.661 1.00 0.00 C ATOM 914 CD LYS A 56 -15.797 -9.766 0.932 1.00 0.00 C ATOM 915 CE LYS A 56 -15.522 -9.831 2.438 1.00 0.00 C ATOM 916 NZ LYS A 56 -14.307 -10.613 2.728 1.00 0.00 N ATOM 0 H LYS A 56 -18.014 -6.607 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.639 -7.817 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -18.499 -8.838 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.144 -9.898 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.052 -8.014 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.929 -9.527 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.849 -10.774 0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.975 -9.258 0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.410 -8.821 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.375 -10.279 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.148 -10.639 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.425 -11.583 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.490 -10.170 2.262 1.00 0.00 H new ATOM 930 N ALA A 57 -17.893 -7.531 -3.661 1.00 0.00 N ATOM 931 CA ALA A 57 -18.124 -7.632 -5.096 1.00 0.00 C ATOM 932 C ALA A 57 -17.641 -6.397 -5.871 1.00 0.00 C ATOM 933 O ALA A 57 -17.958 -6.259 -7.053 1.00 0.00 O ATOM 934 CB ALA A 57 -19.619 -7.869 -5.325 1.00 0.00 C ATOM 0 H ALA A 57 -18.662 -7.090 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.539 -8.467 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.815 -7.948 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.921 -8.793 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.187 -7.035 -4.912 1.00 0.00 H new ATOM 940 N SER A 58 -16.920 -5.469 -5.234 1.00 0.00 N ATOM 941 CA SER A 58 -16.459 -4.275 -5.917 1.00 0.00 C ATOM 942 C SER A 58 -15.279 -4.594 -6.832 1.00 0.00 C ATOM 943 O SER A 58 -14.120 -4.581 -6.426 1.00 0.00 O ATOM 944 CB SER A 58 -16.181 -3.173 -4.899 1.00 0.00 C ATOM 945 OG SER A 58 -17.403 -2.811 -4.296 1.00 0.00 O ATOM 0 H SER A 58 -16.649 -5.528 -4.253 1.00 0.00 H new ATOM 0 HA SER A 58 -17.239 -3.896 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.474 -3.521 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.728 -2.310 -5.387 1.00 0.00 H new ATOM 0 HG SER A 58 -17.819 -3.604 -3.898 1.00 0.00 H new ATOM 951 N GLU A 59 -15.593 -4.924 -8.082 1.00 0.00 N ATOM 952 CA GLU A 59 -14.609 -5.201 -9.115 1.00 0.00 C ATOM 953 C GLU A 59 -13.712 -3.972 -9.286 1.00 0.00 C ATOM 954 O GLU A 59 -12.502 -4.075 -9.446 1.00 0.00 O ATOM 955 CB GLU A 59 -15.334 -5.639 -10.398 1.00 0.00 C ATOM 956 CG GLU A 59 -14.540 -6.677 -11.206 1.00 0.00 C ATOM 957 CD GLU A 59 -13.221 -6.133 -11.739 1.00 0.00 C ATOM 958 OE1 GLU A 59 -13.297 -5.223 -12.594 1.00 0.00 O ATOM 959 OE2 GLU A 59 -12.168 -6.632 -11.287 1.00 0.00 O ATOM 0 H GLU A 59 -16.556 -5.007 -8.407 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.953 -6.027 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.306 -6.056 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.520 -4.764 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.341 -7.545 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.149 -7.022 -12.042 1.00 0.00 H new ATOM 966 N ASP A 60 -14.317 -2.793 -9.164 1.00 0.00 N ATOM 967 CA ASP A 60 -13.640 -1.508 -9.132 1.00 0.00 C ATOM 968 C ASP A 60 -12.578 -1.520 -8.033 1.00 0.00 C ATOM 969 O ASP A 60 -11.423 -1.169 -8.261 1.00 0.00 O ATOM 970 CB ASP A 60 -14.656 -0.383 -8.865 1.00 0.00 C ATOM 971 CG ASP A 60 -15.680 -0.680 -7.768 1.00 0.00 C ATOM 972 OD1 ASP A 60 -16.444 -1.652 -7.954 1.00 0.00 O ATOM 973 OD2 ASP A 60 -15.665 0.048 -6.753 1.00 0.00 O ATOM 0 H ASP A 60 -15.330 -2.708 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.163 -1.329 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.111 0.522 -8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.190 -0.170 -9.791 1.00 0.00 H new ATOM 978 N LEU A 61 -12.995 -1.903 -6.826 1.00 0.00 N ATOM 979 CA LEU A 61 -12.092 -1.996 -5.682 1.00 0.00 C ATOM 980 C LEU A 61 -10.972 -2.985 -6.003 1.00 0.00 C ATOM 981 O LEU A 61 -9.804 -2.647 -5.834 1.00 0.00 O ATOM 982 CB LEU A 61 -12.853 -2.347 -4.395 1.00 0.00 C ATOM 983 CG LEU A 61 -11.989 -2.462 -3.131 1.00 0.00 C ATOM 984 CD1 LEU A 61 -11.370 -1.124 -2.739 1.00 0.00 C ATOM 985 CD2 LEU A 61 -12.887 -2.929 -1.980 1.00 0.00 C ATOM 0 H LEU A 61 -13.961 -2.155 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.636 -1.024 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.616 -1.587 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.373 -3.293 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.181 -3.166 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.767 -1.251 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.739 -0.763 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.161 -0.400 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.295 -3.018 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.685 -2.203 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.321 -3.898 -2.227 1.00 0.00 H new ATOM 997 N LYS A 62 -11.297 -4.137 -6.608 1.00 0.00 N ATOM 998 CA LYS A 62 -10.270 -5.115 -6.968 1.00 0.00 C ATOM 999 C LYS A 62 -9.245 -4.464 -7.906 1.00 0.00 C ATOM 1000 O LYS A 62 -8.042 -4.495 -7.648 1.00 0.00 O ATOM 1001 CB LYS A 62 -10.874 -6.366 -7.623 1.00 0.00 C ATOM 1002 CG LYS A 62 -11.792 -7.154 -6.683 1.00 0.00 C ATOM 1003 CD LYS A 62 -12.449 -8.316 -7.445 1.00 0.00 C ATOM 1004 CE LYS A 62 -13.501 -9.033 -6.590 1.00 0.00 C ATOM 1005 NZ LYS A 62 -14.621 -8.144 -6.228 1.00 0.00 N ATOM 0 H LYS A 62 -12.249 -4.408 -6.854 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.776 -5.437 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.438 -6.069 -8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.068 -7.016 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.219 -7.539 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.559 -6.496 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.916 -7.937 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.683 -9.028 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.885 -9.895 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.032 -9.413 -5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.869 -8.288 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.340 -7.154 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.445 -8.363 -6.824 1.00 0.00 H new ATOM 1019 N LYS A 63 -9.728 -3.821 -8.974 1.00 0.00 N ATOM 1020 CA LYS A 63 -8.875 -3.105 -9.912 1.00 0.00 C ATOM 1021 C LYS A 63 -8.070 -2.021 -9.194 1.00 0.00 C ATOM 1022 O LYS A 63 -6.934 -1.736 -9.591 1.00 0.00 O ATOM 1023 CB LYS A 63 -9.701 -2.519 -11.060 1.00 0.00 C ATOM 1024 CG LYS A 63 -10.239 -3.633 -11.967 1.00 0.00 C ATOM 1025 CD LYS A 63 -10.879 -3.088 -13.250 1.00 0.00 C ATOM 1026 CE LYS A 63 -12.059 -2.154 -12.958 1.00 0.00 C ATOM 1027 NZ LYS A 63 -12.774 -1.798 -14.196 1.00 0.00 N ATOM 0 H LYS A 63 -10.720 -3.786 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.167 -3.814 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.531 -1.939 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.086 -1.834 -11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.425 -4.308 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.976 -4.220 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.128 -2.551 -13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.221 -3.920 -13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.746 -2.638 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.698 -1.249 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.568 -1.165 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.122 -1.316 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.138 -2.661 -14.647 1.00 0.00 H new ATOM 1041 N HIS A 64 -8.626 -1.393 -8.149 1.00 0.00 N ATOM 1042 CA HIS A 64 -7.807 -0.473 -7.393 1.00 0.00 C ATOM 1043 C HIS A 64 -6.692 -1.228 -6.723 1.00 0.00 C ATOM 1044 O HIS A 64 -5.548 -0.832 -6.864 1.00 0.00 O ATOM 1045 CB HIS A 64 -8.535 0.321 -6.313 1.00 0.00 C ATOM 1046 CG HIS A 64 -7.921 1.685 -6.182 1.00 0.00 C ATOM 1047 ND1 HIS A 64 -7.468 2.454 -7.230 1.00 0.00 N ATOM 1048 CD2 HIS A 64 -7.541 2.301 -5.021 1.00 0.00 C ATOM 1049 CE1 HIS A 64 -6.820 3.504 -6.711 1.00 0.00 C ATOM 1050 NE2 HIS A 64 -6.872 3.478 -5.369 1.00 0.00 N ATOM 0 H HIS A 64 -9.588 -1.503 -7.830 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.454 0.249 -8.129 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.592 0.411 -6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -8.478 -0.206 -5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.724 1.943 -4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.323 4.267 -7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.497 4.179 -4.730 1.00 0.00 H new ATOM 1058 N GLY A 65 -7.016 -2.315 -6.025 1.00 0.00 N ATOM 1059 CA GLY A 65 -6.029 -3.145 -5.368 1.00 0.00 C ATOM 1060 C GLY A 65 -4.911 -3.476 -6.362 1.00 0.00 C ATOM 1061 O GLY A 65 -3.734 -3.344 -6.035 1.00 0.00 O ATOM 0 H GLY A 65 -7.975 -2.639 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.620 -2.627 -4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.492 -4.062 -5.003 1.00 0.00 H new ATOM 1065 N VAL A 66 -5.277 -3.785 -7.612 1.00 0.00 N ATOM 1066 CA VAL A 66 -4.324 -4.077 -8.675 1.00 0.00 C ATOM 1067 C VAL A 66 -3.473 -2.826 -8.923 1.00 0.00 C ATOM 1068 O VAL A 66 -2.253 -2.890 -8.840 1.00 0.00 O ATOM 1069 CB VAL A 66 -5.017 -4.561 -9.965 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.998 -4.780 -11.095 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.749 -5.889 -9.740 1.00 0.00 C ATOM 0 H VAL A 66 -6.251 -3.838 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.682 -4.900 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.728 -3.783 -10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.516 -5.121 -11.991 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.484 -3.843 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.271 -5.532 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.227 -6.203 -10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.035 -6.649 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.507 -5.760 -8.967 1.00 0.00 H new ATOM 1081 N THR A 67 -4.108 -1.676 -9.167 1.00 0.00 N ATOM 1082 CA THR A 67 -3.446 -0.392 -9.407 1.00 0.00 C ATOM 1083 C THR A 67 -2.420 -0.079 -8.308 1.00 0.00 C ATOM 1084 O THR A 67 -1.258 0.238 -8.561 1.00 0.00 O ATOM 1085 CB THR A 67 -4.531 0.700 -9.511 1.00 0.00 C ATOM 1086 OG1 THR A 67 -5.435 0.395 -10.556 1.00 0.00 O ATOM 1087 CG2 THR A 67 -3.999 2.119 -9.728 1.00 0.00 C ATOM 0 H THR A 67 -5.125 -1.612 -9.204 1.00 0.00 H new ATOM 0 HA THR A 67 -2.886 -0.432 -10.341 1.00 0.00 H new ATOM 0 HB THR A 67 -5.024 0.696 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.075 -0.280 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.835 2.816 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.354 2.397 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.428 2.156 -10.656 1.00 0.00 H new ATOM 1095 N VAL A 68 -2.888 -0.203 -7.074 1.00 0.00 N ATOM 1096 CA VAL A 68 -2.204 0.091 -5.832 1.00 0.00 C ATOM 1097 C VAL A 68 -0.994 -0.829 -5.686 1.00 0.00 C ATOM 1098 O VAL A 68 0.146 -0.360 -5.713 1.00 0.00 O ATOM 1099 CB VAL A 68 -3.292 0.038 -4.743 1.00 0.00 C ATOM 1100 CG1 VAL A 68 -2.906 -0.116 -3.279 1.00 0.00 C ATOM 1101 CG2 VAL A 68 -4.080 1.348 -4.838 1.00 0.00 C ATOM 0 H VAL A 68 -3.836 -0.541 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.749 1.080 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.816 -0.890 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.807 -0.133 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.357 -1.048 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.278 0.722 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.865 1.356 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.408 2.190 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.528 1.432 -5.828 1.00 0.00 H new ATOM 1111 N LEU A 69 -1.213 -2.142 -5.614 1.00 0.00 N ATOM 1112 CA LEU A 69 -0.099 -3.074 -5.515 1.00 0.00 C ATOM 1113 C LEU A 69 0.839 -2.939 -6.713 1.00 0.00 C ATOM 1114 O LEU A 69 2.044 -2.945 -6.525 1.00 0.00 O ATOM 1115 CB LEU A 69 -0.575 -4.520 -5.313 1.00 0.00 C ATOM 1116 CG LEU A 69 -1.452 -4.707 -4.068 1.00 0.00 C ATOM 1117 CD1 LEU A 69 -1.511 -6.199 -3.748 1.00 0.00 C ATOM 1118 CD2 LEU A 69 -1.009 -3.961 -2.800 1.00 0.00 C ATOM 0 H LEU A 69 -2.136 -2.575 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 69 0.471 -2.811 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.135 -4.836 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.294 -5.173 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.417 -4.273 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.130 -6.358 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.941 -6.736 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.504 -6.570 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.708 -4.173 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.011 -4.292 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.994 -2.889 -2.995 1.00 0.00 H new ATOM 1130 N THR A 70 0.346 -2.798 -7.942 1.00 0.00 N ATOM 1131 CA THR A 70 1.238 -2.658 -9.093 1.00 0.00 C ATOM 1132 C THR A 70 2.123 -1.412 -8.946 1.00 0.00 C ATOM 1133 O THR A 70 3.307 -1.446 -9.292 1.00 0.00 O ATOM 1134 CB THR A 70 0.458 -2.671 -10.415 1.00 0.00 C ATOM 1135 OG1 THR A 70 -0.330 -3.839 -10.480 1.00 0.00 O ATOM 1136 CG2 THR A 70 1.405 -2.712 -11.618 1.00 0.00 C ATOM 0 H THR A 70 -0.649 -2.778 -8.166 1.00 0.00 H new ATOM 0 HA THR A 70 1.900 -3.523 -9.119 1.00 0.00 H new ATOM 0 HB THR A 70 -0.149 -1.766 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.194 -3.675 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.823 -2.720 -12.539 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.049 -1.833 -11.604 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.018 -3.612 -11.568 1.00 0.00 H new ATOM 1144 N ALA A 71 1.561 -0.297 -8.469 1.00 0.00 N ATOM 1145 CA ALA A 71 2.363 0.890 -8.237 1.00 0.00 C ATOM 1146 C ALA A 71 3.438 0.631 -7.180 1.00 0.00 C ATOM 1147 O ALA A 71 4.622 0.871 -7.430 1.00 0.00 O ATOM 1148 CB ALA A 71 1.471 2.083 -7.896 1.00 0.00 C ATOM 0 H ALA A 71 0.571 -0.199 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 71 2.892 1.142 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.090 2.963 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.788 2.275 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.898 1.863 -6.996 1.00 0.00 H new ATOM 1154 N LEU A 72 3.037 0.138 -6.005 1.00 0.00 N ATOM 1155 CA LEU A 72 3.996 -0.199 -4.955 1.00 0.00 C ATOM 1156 C LEU A 72 5.022 -1.210 -5.493 1.00 0.00 C ATOM 1157 O LEU A 72 6.196 -1.189 -5.140 1.00 0.00 O ATOM 1158 CB LEU A 72 3.264 -0.793 -3.739 1.00 0.00 C ATOM 1159 CG LEU A 72 4.149 -0.917 -2.488 1.00 0.00 C ATOM 1160 CD1 LEU A 72 4.561 0.449 -1.930 1.00 0.00 C ATOM 1161 CD2 LEU A 72 3.371 -1.679 -1.413 1.00 0.00 C ATOM 0 H LEU A 72 2.062 -0.035 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 72 4.515 0.708 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.402 -0.169 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.881 -1.779 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 72 5.059 -1.446 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.185 0.308 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.122 0.997 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.670 1.015 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.986 -1.775 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.459 -1.134 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.113 -2.671 -1.785 1.00 0.00 H new ATOM 1173 N GLY A 73 4.560 -2.127 -6.338 1.00 0.00 N ATOM 1174 CA GLY A 73 5.325 -3.190 -6.956 1.00 0.00 C ATOM 1175 C GLY A 73 6.437 -2.600 -7.802 1.00 0.00 C ATOM 1176 O GLY A 73 7.592 -2.961 -7.624 1.00 0.00 O ATOM 0 H GLY A 73 3.581 -2.143 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.746 -3.841 -6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.673 -3.807 -7.575 1.00 0.00 H new ATOM 1180 N ALA A 74 6.101 -1.669 -8.693 1.00 0.00 N ATOM 1181 CA ALA A 74 7.084 -0.977 -9.519 1.00 0.00 C ATOM 1182 C ALA A 74 8.125 -0.296 -8.629 1.00 0.00 C ATOM 1183 O ALA A 74 9.330 -0.396 -8.859 1.00 0.00 O ATOM 1184 CB ALA A 74 6.379 0.037 -10.423 1.00 0.00 C ATOM 0 H ALA A 74 5.139 -1.374 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 74 7.600 -1.697 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.117 0.551 -11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.669 -0.482 -11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.848 0.765 -9.809 1.00 0.00 H new ATOM 1190 N ILE A 75 7.645 0.365 -7.575 1.00 0.00 N ATOM 1191 CA ILE A 75 8.472 1.056 -6.597 1.00 0.00 C ATOM 1192 C ILE A 75 9.486 0.060 -6.020 1.00 0.00 C ATOM 1193 O ILE A 75 10.696 0.252 -6.146 1.00 0.00 O ATOM 1194 CB ILE A 75 7.539 1.759 -5.583 1.00 0.00 C ATOM 1195 CG1 ILE A 75 7.225 3.164 -6.127 1.00 0.00 C ATOM 1196 CG2 ILE A 75 8.040 1.785 -4.134 1.00 0.00 C ATOM 1197 CD1 ILE A 75 5.968 3.778 -5.504 1.00 0.00 C ATOM 0 H ILE A 75 6.647 0.434 -7.377 1.00 0.00 H new ATOM 0 HA ILE A 75 9.080 1.853 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 75 6.630 1.163 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.075 3.819 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.099 3.109 -7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.313 2.300 -3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.170 0.764 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.994 2.310 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.799 4.768 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.109 3.141 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.101 3.862 -4.425 1.00 0.00 H new ATOM 1209 N LEU A 76 8.992 -1.038 -5.452 1.00 0.00 N ATOM 1210 CA LEU A 76 9.798 -2.113 -4.896 1.00 0.00 C ATOM 1211 C LEU A 76 10.778 -2.671 -5.940 1.00 0.00 C ATOM 1212 O LEU A 76 11.962 -2.849 -5.656 1.00 0.00 O ATOM 1213 CB LEU A 76 8.850 -3.214 -4.402 1.00 0.00 C ATOM 1214 CG LEU A 76 8.027 -2.834 -3.155 1.00 0.00 C ATOM 1215 CD1 LEU A 76 6.928 -3.880 -2.940 1.00 0.00 C ATOM 1216 CD2 LEU A 76 8.887 -2.739 -1.894 1.00 0.00 C ATOM 0 H LEU A 76 7.990 -1.205 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 76 10.396 -1.731 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.165 -3.475 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.435 -4.106 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 76 7.596 -1.849 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.342 -3.617 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.277 -3.908 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.382 -4.860 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.259 -2.469 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.361 -3.702 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.655 -1.978 -2.034 1.00 0.00 H new ATOM 1228 N LYS A 77 10.294 -2.942 -7.155 1.00 0.00 N ATOM 1229 CA LYS A 77 11.095 -3.502 -8.241 1.00 0.00 C ATOM 1230 C LYS A 77 12.274 -2.601 -8.584 1.00 0.00 C ATOM 1231 O LYS A 77 13.342 -3.095 -8.932 1.00 0.00 O ATOM 1232 CB LYS A 77 10.230 -3.807 -9.471 1.00 0.00 C ATOM 1233 CG LYS A 77 9.387 -5.070 -9.234 1.00 0.00 C ATOM 1234 CD LYS A 77 8.334 -5.283 -10.332 1.00 0.00 C ATOM 1235 CE LYS A 77 8.930 -5.382 -11.743 1.00 0.00 C ATOM 1236 NZ LYS A 77 9.957 -6.434 -11.838 1.00 0.00 N ATOM 0 H LYS A 77 9.321 -2.776 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 77 11.508 -4.450 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.577 -2.961 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.866 -3.945 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.043 -5.939 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.890 -4.996 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.776 -6.195 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.621 -4.459 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.134 -5.587 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.368 -4.423 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.260 -6.535 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.775 -6.175 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.562 -7.336 -11.503 1.00 0.00 H new ATOM 1250 N LYS A 78 12.088 -1.284 -8.491 1.00 0.00 N ATOM 1251 CA LYS A 78 13.162 -0.333 -8.741 1.00 0.00 C ATOM 1252 C LYS A 78 14.223 -0.329 -7.619 1.00 0.00 C ATOM 1253 O LYS A 78 15.206 0.404 -7.728 1.00 0.00 O ATOM 1254 CB LYS A 78 12.551 1.051 -8.961 1.00 0.00 C ATOM 1255 CG LYS A 78 11.796 1.173 -10.293 1.00 0.00 C ATOM 1256 CD LYS A 78 12.753 1.316 -11.487 1.00 0.00 C ATOM 1257 CE LYS A 78 12.018 1.771 -12.754 1.00 0.00 C ATOM 1258 NZ LYS A 78 10.972 0.816 -13.161 1.00 0.00 N ATOM 0 H LYS A 78 11.197 -0.854 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 78 13.698 -0.637 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.868 1.274 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.342 1.800 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.168 0.294 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.132 2.036 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.535 2.035 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.245 0.362 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.568 2.749 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.735 1.890 -13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.547 1.128 -14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.393 -0.127 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.237 0.772 -12.426 1.00 0.00 H new ATOM 1272 N LYS A 79 14.072 -1.153 -6.569 1.00 0.00 N ATOM 1273 CA LYS A 79 15.043 -1.339 -5.489 1.00 0.00 C ATOM 1274 C LYS A 79 15.604 -0.017 -4.946 1.00 0.00 C ATOM 1275 O LYS A 79 16.791 0.067 -4.645 1.00 0.00 O ATOM 1276 CB LYS A 79 16.163 -2.279 -5.974 1.00 0.00 C ATOM 1277 CG LYS A 79 15.630 -3.677 -6.331 1.00 0.00 C ATOM 1278 CD LYS A 79 16.666 -4.507 -7.101 1.00 0.00 C ATOM 1279 CE LYS A 79 17.911 -4.822 -6.263 1.00 0.00 C ATOM 1280 NZ LYS A 79 18.845 -5.680 -7.010 1.00 0.00 N ATOM 0 H LYS A 79 13.238 -1.727 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 79 14.525 -1.795 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.649 -1.843 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.923 -2.368 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.350 -4.203 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.726 -3.578 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.208 -5.440 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.964 -3.966 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.409 -3.894 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.616 -5.318 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.554 -6.072 -6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.319 -6.457 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.323 -5.118 -7.743 1.00 0.00 H new ATOM 1294 N GLY A 80 14.752 1.004 -4.794 1.00 0.00 N ATOM 1295 CA GLY A 80 15.140 2.305 -4.244 1.00 0.00 C ATOM 1296 C GLY A 80 15.313 3.403 -5.285 1.00 0.00 C ATOM 1297 O GLY A 80 15.658 4.527 -4.914 1.00 0.00 O ATOM 0 H GLY A 80 13.767 0.948 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.386 2.620 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.075 2.190 -3.697 1.00 0.00 H new ATOM 1301 N HIS A 81 15.152 3.106 -6.579 1.00 0.00 N ATOM 1302 CA HIS A 81 15.436 4.088 -7.614 1.00 0.00 C ATOM 1303 C HIS A 81 14.172 4.429 -8.397 1.00 0.00 C ATOM 1304 O HIS A 81 14.074 4.147 -9.593 1.00 0.00 O ATOM 1305 CB HIS A 81 16.584 3.556 -8.484 1.00 0.00 C ATOM 1306 CG HIS A 81 17.646 2.845 -7.678 1.00 0.00 C ATOM 1307 ND1 HIS A 81 17.788 1.472 -7.600 1.00 0.00 N ATOM 1308 CD2 HIS A 81 18.424 3.405 -6.701 1.00 0.00 C ATOM 1309 CE1 HIS A 81 18.688 1.206 -6.638 1.00 0.00 C ATOM 1310 NE2 HIS A 81 19.086 2.365 -6.079 1.00 0.00 N ATOM 0 H HIS A 81 14.830 2.202 -6.925 1.00 0.00 H new ATOM 0 HA HIS A 81 15.763 5.032 -7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.181 2.871 -9.231 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.039 4.386 -9.025 1.00 0.00 H new ATOM 0 HD1 HIS A 81 17.297 0.784 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.504 4.455 -6.463 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.036 0.222 -6.358 1.00 0.00 H new ATOM 1319 N HIS A 82 13.166 4.980 -7.705 1.00 0.00 N ATOM 1320 CA HIS A 82 11.868 5.205 -8.308 1.00 0.00 C ATOM 1321 C HIS A 82 11.353 6.635 -8.148 1.00 0.00 C ATOM 1322 O HIS A 82 10.147 6.833 -8.037 1.00 0.00 O ATOM 1323 CB HIS A 82 10.876 4.181 -7.731 1.00 0.00 C ATOM 1324 CG HIS A 82 11.034 3.963 -6.247 1.00 0.00 C ATOM 1325 ND1 HIS A 82 11.478 2.801 -5.663 1.00 0.00 N ATOM 1326 CD2 HIS A 82 10.977 4.920 -5.269 1.00 0.00 C ATOM 1327 CE1 HIS A 82 11.666 3.051 -4.358 1.00 0.00 C ATOM 1328 NE2 HIS A 82 11.395 4.331 -4.072 1.00 0.00 N ATOM 0 H HIS A 82 13.237 5.274 -6.731 1.00 0.00 H new ATOM 0 HA HIS A 82 11.971 5.067 -9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.859 4.517 -7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.007 3.229 -8.246 1.00 0.00 H new ATOM 0 HD1 HIS A 82 11.636 1.911 -6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.665 5.946 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.992 2.318 -3.635 1.00 0.00 H new ATOM 1336 N GLU A 83 12.236 7.635 -8.089 1.00 0.00 N ATOM 1337 CA GLU A 83 11.809 9.014 -7.867 1.00 0.00 C ATOM 1338 C GLU A 83 10.722 9.438 -8.863 1.00 0.00 C ATOM 1339 O GLU A 83 9.691 9.978 -8.466 1.00 0.00 O ATOM 1340 CB GLU A 83 13.015 9.967 -7.908 1.00 0.00 C ATOM 1341 CG GLU A 83 12.574 11.413 -7.639 1.00 0.00 C ATOM 1342 CD GLU A 83 13.767 12.330 -7.389 1.00 0.00 C ATOM 1343 OE1 GLU A 83 14.510 12.573 -8.363 1.00 0.00 O ATOM 1344 OE2 GLU A 83 13.910 12.761 -6.224 1.00 0.00 O ATOM 0 H GLU A 83 13.244 7.515 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 83 11.367 9.072 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.751 9.662 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.501 9.905 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.003 11.783 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.910 11.436 -6.775 1.00 0.00 H new ATOM 1351 N ALA A 84 10.981 9.221 -10.156 1.00 0.00 N ATOM 1352 CA ALA A 84 10.076 9.596 -11.235 1.00 0.00 C ATOM 1353 C ALA A 84 8.667 9.024 -11.041 1.00 0.00 C ATOM 1354 O ALA A 84 7.682 9.727 -11.240 1.00 0.00 O ATOM 1355 CB ALA A 84 10.661 9.137 -12.572 1.00 0.00 C ATOM 0 H ALA A 84 11.838 8.774 -10.482 1.00 0.00 H new ATOM 0 HA ALA A 84 9.978 10.682 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.985 9.417 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.629 9.612 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.786 8.054 -12.562 1.00 0.00 H new ATOM 1361 N GLU A 85 8.578 7.749 -10.660 1.00 0.00 N ATOM 1362 CA GLU A 85 7.323 7.038 -10.463 1.00 0.00 C ATOM 1363 C GLU A 85 6.647 7.487 -9.163 1.00 0.00 C ATOM 1364 O GLU A 85 5.447 7.745 -9.118 1.00 0.00 O ATOM 1365 CB GLU A 85 7.596 5.526 -10.420 1.00 0.00 C ATOM 1366 CG GLU A 85 8.158 4.941 -11.729 1.00 0.00 C ATOM 1367 CD GLU A 85 9.634 5.239 -12.000 1.00 0.00 C ATOM 1368 OE1 GLU A 85 10.321 5.701 -11.062 1.00 0.00 O ATOM 1369 OE2 GLU A 85 10.054 4.992 -13.150 1.00 0.00 O ATOM 0 H GLU A 85 9.399 7.172 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 85 6.653 7.264 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.299 5.319 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.668 5.009 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.020 3.860 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.568 5.325 -12.561 1.00 0.00 H new ATOM 1376 N LEU A 86 7.439 7.581 -8.097 1.00 0.00 N ATOM 1377 CA LEU A 86 6.979 7.926 -6.765 1.00 0.00 C ATOM 1378 C LEU A 86 6.442 9.356 -6.674 1.00 0.00 C ATOM 1379 O LEU A 86 5.349 9.564 -6.150 1.00 0.00 O ATOM 1380 CB LEU A 86 8.133 7.670 -5.795 1.00 0.00 C ATOM 1381 CG LEU A 86 7.743 7.879 -4.323 1.00 0.00 C ATOM 1382 CD1 LEU A 86 8.257 6.707 -3.482 1.00 0.00 C ATOM 1383 CD2 LEU A 86 8.314 9.203 -3.802 1.00 0.00 C ATOM 0 H LEU A 86 8.444 7.414 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 86 6.127 7.300 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.491 6.649 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.962 8.334 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 86 6.657 7.922 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.979 6.858 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.816 5.778 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.342 6.649 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.029 9.336 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.401 9.187 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.918 10.028 -4.394 1.00 0.00 H new ATOM 1395 N LYS A 87 7.187 10.348 -7.175 1.00 0.00 N ATOM 1396 CA LYS A 87 6.793 11.749 -7.076 1.00 0.00 C ATOM 1397 C LYS A 87 5.319 12.037 -7.412 1.00 0.00 C ATOM 1398 O LYS A 87 4.635 12.604 -6.566 1.00 0.00 O ATOM 1399 CB LYS A 87 7.784 12.681 -7.790 1.00 0.00 C ATOM 1400 CG LYS A 87 7.572 14.127 -7.312 1.00 0.00 C ATOM 1401 CD LYS A 87 8.613 15.082 -7.910 1.00 0.00 C ATOM 1402 CE LYS A 87 8.612 16.435 -7.180 1.00 0.00 C ATOM 1403 NZ LYS A 87 7.288 17.085 -7.190 1.00 0.00 N ATOM 0 H LYS A 87 8.074 10.199 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 87 6.853 11.985 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.807 12.366 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.643 12.620 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.572 14.459 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.629 14.162 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.603 14.631 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.403 15.237 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.932 16.287 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.341 17.097 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.374 18.054 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.923 17.115 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.632 16.545 -6.591 1.00 0.00 H new ATOM 1417 N PRO A 88 4.788 11.683 -8.593 1.00 0.00 N ATOM 1418 CA PRO A 88 3.391 11.942 -8.908 1.00 0.00 C ATOM 1419 C PRO A 88 2.428 11.196 -7.973 1.00 0.00 C ATOM 1420 O PRO A 88 1.307 11.657 -7.755 1.00 0.00 O ATOM 1421 CB PRO A 88 3.210 11.532 -10.373 1.00 0.00 C ATOM 1422 CG PRO A 88 4.312 10.499 -10.594 1.00 0.00 C ATOM 1423 CD PRO A 88 5.442 11.026 -9.710 1.00 0.00 C ATOM 0 HA PRO A 88 3.148 12.994 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.222 11.109 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.318 12.384 -11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.996 9.499 -10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.609 10.441 -11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.083 10.214 -9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.076 11.723 -10.258 1.00 0.00 H new ATOM 1431 N LEU A 89 2.830 10.034 -7.447 1.00 0.00 N ATOM 1432 CA LEU A 89 1.994 9.264 -6.539 1.00 0.00 C ATOM 1433 C LEU A 89 1.926 9.976 -5.190 1.00 0.00 C ATOM 1434 O LEU A 89 0.847 10.165 -4.628 1.00 0.00 O ATOM 1435 CB LEU A 89 2.531 7.829 -6.456 1.00 0.00 C ATOM 1436 CG LEU A 89 1.520 6.811 -5.905 1.00 0.00 C ATOM 1437 CD1 LEU A 89 1.765 5.466 -6.597 1.00 0.00 C ATOM 1438 CD2 LEU A 89 1.676 6.634 -4.390 1.00 0.00 C ATOM 0 H LEU A 89 3.737 9.609 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 89 0.969 9.194 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.844 7.512 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.419 7.821 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 89 0.511 7.174 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.057 4.728 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.631 5.581 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.782 5.131 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.947 5.908 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.682 6.278 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.511 7.590 -3.893 1.00 0.00 H new ATOM 1450 N ALA A 90 3.085 10.403 -4.682 1.00 0.00 N ATOM 1451 CA ALA A 90 3.158 11.209 -3.472 1.00 0.00 C ATOM 1452 C ALA A 90 2.307 12.457 -3.702 1.00 0.00 C ATOM 1453 O ALA A 90 1.444 12.786 -2.893 1.00 0.00 O ATOM 1454 CB ALA A 90 4.615 11.571 -3.172 1.00 0.00 C ATOM 0 H ALA A 90 3.993 10.198 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 90 2.780 10.661 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.661 12.174 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.195 10.659 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.028 12.138 -4.006 1.00 0.00 H new ATOM 1460 N GLN A 91 2.505 13.112 -4.851 1.00 0.00 N ATOM 1461 CA GLN A 91 1.776 14.307 -5.234 1.00 0.00 C ATOM 1462 C GLN A 91 0.267 14.071 -5.174 1.00 0.00 C ATOM 1463 O GLN A 91 -0.428 14.873 -4.558 1.00 0.00 O ATOM 1464 CB GLN A 91 2.236 14.814 -6.605 1.00 0.00 C ATOM 1465 CG GLN A 91 1.735 16.230 -6.901 1.00 0.00 C ATOM 1466 CD GLN A 91 2.279 16.718 -8.238 1.00 0.00 C ATOM 1467 OE1 GLN A 91 3.145 17.584 -8.288 1.00 0.00 O ATOM 1468 NE2 GLN A 91 1.792 16.146 -9.336 1.00 0.00 N ATOM 0 H GLN A 91 3.189 12.815 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 91 2.001 15.094 -4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.325 14.800 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.878 14.135 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.645 16.241 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.047 16.907 -6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.071 15.428 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.139 16.425 -10.253 1.00 0.00 H new ATOM 1477 N SER A 92 -0.265 13.003 -5.778 1.00 0.00 N ATOM 1478 CA SER A 92 -1.702 12.763 -5.697 1.00 0.00 C ATOM 1479 C SER A 92 -2.116 12.591 -4.233 1.00 0.00 C ATOM 1480 O SER A 92 -2.979 13.317 -3.735 1.00 0.00 O ATOM 1481 CB SER A 92 -2.117 11.567 -6.557 1.00 0.00 C ATOM 1482 OG SER A 92 -1.512 10.367 -6.123 1.00 0.00 O ATOM 0 H SER A 92 0.262 12.312 -6.312 1.00 0.00 H new ATOM 0 HA SER A 92 -2.228 13.629 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.201 11.458 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.844 11.755 -7.595 1.00 0.00 H new ATOM 0 HG SER A 92 -2.085 9.608 -6.359 1.00 0.00 H new ATOM 1488 N HIS A 93 -1.502 11.622 -3.551 1.00 0.00 N ATOM 1489 CA HIS A 93 -1.775 11.334 -2.148 1.00 0.00 C ATOM 1490 C HIS A 93 -1.646 12.555 -1.229 1.00 0.00 C ATOM 1491 O HIS A 93 -2.289 12.591 -0.179 1.00 0.00 O ATOM 1492 CB HIS A 93 -1.004 10.090 -1.679 1.00 0.00 C ATOM 1493 CG HIS A 93 -1.429 8.849 -2.436 1.00 0.00 C ATOM 1494 ND1 HIS A 93 -1.336 8.690 -3.800 1.00 0.00 N ATOM 1495 CD2 HIS A 93 -2.201 7.812 -1.966 1.00 0.00 C ATOM 1496 CE1 HIS A 93 -2.068 7.621 -4.133 1.00 0.00 C ATOM 1497 NE2 HIS A 93 -2.612 7.039 -3.053 1.00 0.00 N ATOM 0 H HIS A 93 -0.796 11.012 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.833 11.082 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.065 10.251 -1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.170 9.940 -0.612 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -0.805 9.280 -4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.447 7.627 -0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.204 7.270 -5.145 1.00 0.00 H new ATOM 1505 N ALA A 94 -0.829 13.544 -1.601 1.00 0.00 N ATOM 1506 CA ALA A 94 -0.652 14.764 -0.834 1.00 0.00 C ATOM 1507 C ALA A 94 -1.581 15.889 -1.285 1.00 0.00 C ATOM 1508 O ALA A 94 -2.397 16.371 -0.511 1.00 0.00 O ATOM 1509 CB ALA A 94 0.804 15.230 -0.935 1.00 0.00 C ATOM 0 H ALA A 94 -0.269 13.513 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.908 14.531 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.934 16.146 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.462 14.456 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.054 15.420 -1.979 1.00 0.00 H new ATOM 1515 N THR A 95 -1.437 16.357 -2.524 1.00 0.00 N ATOM 1516 CA THR A 95 -2.172 17.513 -3.021 1.00 0.00 C ATOM 1517 C THR A 95 -3.639 17.223 -3.330 1.00 0.00 C ATOM 1518 O THR A 95 -4.476 18.106 -3.148 1.00 0.00 O ATOM 1519 CB THR A 95 -1.452 18.138 -4.227 1.00 0.00 C ATOM 1520 OG1 THR A 95 -1.471 17.279 -5.348 1.00 0.00 O ATOM 1521 CG2 THR A 95 0.003 18.495 -3.901 1.00 0.00 C ATOM 0 H THR A 95 -0.806 15.943 -3.210 1.00 0.00 H new ATOM 0 HA THR A 95 -2.187 18.239 -2.208 1.00 0.00 H new ATOM 0 HB THR A 95 -1.998 19.051 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.146 16.392 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 95 0.476 18.934 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.027 19.212 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 95 0.543 17.593 -3.611 1.00 0.00 H new ATOM 1529 N LYS A 96 -3.958 16.018 -3.814 1.00 0.00 N ATOM 1530 CA LYS A 96 -5.323 15.680 -4.192 1.00 0.00 C ATOM 1531 C LYS A 96 -6.046 14.995 -3.039 1.00 0.00 C ATOM 1532 O LYS A 96 -7.103 15.452 -2.614 1.00 0.00 O ATOM 1533 CB LYS A 96 -5.314 14.828 -5.473 1.00 0.00 C ATOM 1534 CG LYS A 96 -6.707 14.568 -6.070 1.00 0.00 C ATOM 1535 CD LYS A 96 -7.548 15.809 -6.417 1.00 0.00 C ATOM 1536 CE LYS A 96 -6.906 16.737 -7.457 1.00 0.00 C ATOM 1537 NZ LYS A 96 -5.937 17.678 -6.863 1.00 0.00 N ATOM 0 H LYS A 96 -3.285 15.264 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.878 16.593 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.698 15.326 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.840 13.871 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.584 13.975 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.272 13.959 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.519 15.483 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.730 16.376 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.403 16.135 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.688 17.301 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.893 18.541 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.237 17.923 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.997 17.234 -6.831 1.00 0.00 H new ATOM 1551 N HIS A 97 -5.502 13.875 -2.559 1.00 0.00 N ATOM 1552 CA HIS A 97 -6.156 13.068 -1.537 1.00 0.00 C ATOM 1553 C HIS A 97 -5.923 13.584 -0.111 1.00 0.00 C ATOM 1554 O HIS A 97 -6.815 13.440 0.723 1.00 0.00 O ATOM 1555 CB HIS A 97 -5.758 11.598 -1.698 1.00 0.00 C ATOM 1556 CG HIS A 97 -5.809 11.076 -3.118 1.00 0.00 C ATOM 1557 ND1 HIS A 97 -6.724 11.444 -4.085 1.00 0.00 N ATOM 1558 CD2 HIS A 97 -4.938 10.187 -3.685 1.00 0.00 C ATOM 1559 CE1 HIS A 97 -6.396 10.808 -5.225 1.00 0.00 C ATOM 1560 NE2 HIS A 97 -5.314 10.039 -5.003 1.00 0.00 N ATOM 0 H HIS A 97 -4.602 13.507 -2.868 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.232 13.155 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.746 11.466 -1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.416 10.989 -1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.112 9.694 -3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.917 10.900 -6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.851 9.447 -5.693 1.00 0.00 H new ATOM 1569 N LYS A 98 -4.758 14.185 0.175 1.00 0.00 N ATOM 1570 CA LYS A 98 -4.390 14.700 1.501 1.00 0.00 C ATOM 1571 C LYS A 98 -4.448 13.565 2.533 1.00 0.00 C ATOM 1572 O LYS A 98 -5.160 13.639 3.535 1.00 0.00 O ATOM 1573 CB LYS A 98 -5.312 15.864 1.912 1.00 0.00 C ATOM 1574 CG LYS A 98 -5.438 16.935 0.818 1.00 0.00 C ATOM 1575 CD LYS A 98 -6.200 18.176 1.300 1.00 0.00 C ATOM 1576 CE LYS A 98 -7.655 17.855 1.672 1.00 0.00 C ATOM 1577 NZ LYS A 98 -8.406 19.081 1.995 1.00 0.00 N ATOM 0 H LYS A 98 -4.030 14.329 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.371 15.084 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.302 15.473 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.926 16.324 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.443 17.230 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.950 16.510 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.691 18.600 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.186 18.935 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.139 17.337 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.674 17.178 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.385 18.833 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.956 19.561 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.407 19.715 1.170 1.00 0.00 H new ATOM 1591 N ILE A 99 -3.710 12.486 2.279 1.00 0.00 N ATOM 1592 CA ILE A 99 -3.689 11.322 3.149 1.00 0.00 C ATOM 1593 C ILE A 99 -2.507 11.400 4.115 1.00 0.00 C ATOM 1594 O ILE A 99 -1.375 11.495 3.647 1.00 0.00 O ATOM 1595 CB ILE A 99 -3.577 10.076 2.266 1.00 0.00 C ATOM 1596 CG1 ILE A 99 -4.869 9.899 1.457 1.00 0.00 C ATOM 1597 CG2 ILE A 99 -3.273 8.805 3.076 1.00 0.00 C ATOM 1598 CD1 ILE A 99 -4.566 9.125 0.180 1.00 0.00 C ATOM 0 H ILE A 99 -3.109 12.399 1.460 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.601 11.280 3.745 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.735 10.227 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.612 9.366 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.294 10.872 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.204 7.952 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.327 8.928 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.072 8.634 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.483 8.999 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.837 9.676 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.160 8.146 0.435 1.00 0.00 H new ATOM 1610 N PRO A 100 -2.719 11.337 5.440 1.00 0.00 N ATOM 1611 CA PRO A 100 -1.630 11.354 6.396 1.00 0.00 C ATOM 1612 C PRO A 100 -0.869 10.027 6.302 1.00 0.00 C ATOM 1613 O PRO A 100 -1.468 8.958 6.214 1.00 0.00 O ATOM 1614 CB PRO A 100 -2.285 11.550 7.764 1.00 0.00 C ATOM 1615 CG PRO A 100 -3.658 10.905 7.584 1.00 0.00 C ATOM 1616 CD PRO A 100 -3.995 11.201 6.121 1.00 0.00 C ATOM 0 HA PRO A 100 -0.906 12.148 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.714 11.068 8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.366 12.605 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.628 9.833 7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.396 11.334 8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.587 10.396 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.585 12.114 6.033 1.00 0.00 H new ATOM 1624 N ILE A 101 0.460 10.077 6.417 1.00 0.00 N ATOM 1625 CA ILE A 101 1.327 8.905 6.247 1.00 0.00 C ATOM 1626 C ILE A 101 1.007 7.776 7.223 1.00 0.00 C ATOM 1627 O ILE A 101 1.273 6.608 6.950 1.00 0.00 O ATOM 1628 CB ILE A 101 2.807 9.326 6.279 1.00 0.00 C ATOM 1629 CG1 ILE A 101 2.943 10.392 5.187 1.00 0.00 C ATOM 1630 CG2 ILE A 101 3.761 8.147 6.032 1.00 0.00 C ATOM 1631 CD1 ILE A 101 4.373 10.691 4.744 1.00 0.00 C ATOM 0 H ILE A 101 0.969 10.935 6.632 1.00 0.00 H new ATOM 0 HA ILE A 101 1.122 8.483 5.263 1.00 0.00 H new ATOM 0 HB ILE A 101 3.084 9.705 7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.369 10.073 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.490 11.316 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.792 8.500 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.611 7.390 6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.557 7.713 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.361 11.458 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.951 11.046 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.829 9.783 4.349 1.00 0.00 H new ATOM 1643 N LYS A 102 0.385 8.117 8.345 1.00 0.00 N ATOM 1644 CA LYS A 102 -0.086 7.140 9.315 1.00 0.00 C ATOM 1645 C LYS A 102 -0.972 6.105 8.605 1.00 0.00 C ATOM 1646 O LYS A 102 -0.892 4.912 8.883 1.00 0.00 O ATOM 1647 CB LYS A 102 -0.825 7.844 10.460 1.00 0.00 C ATOM 1648 CG LYS A 102 0.108 8.791 11.225 1.00 0.00 C ATOM 1649 CD LYS A 102 -0.613 9.378 12.445 1.00 0.00 C ATOM 1650 CE LYS A 102 0.256 10.406 13.181 1.00 0.00 C ATOM 1651 NZ LYS A 102 1.472 9.795 13.749 1.00 0.00 N ATOM 0 H LYS A 102 0.193 9.084 8.607 1.00 0.00 H new ATOM 0 HA LYS A 102 0.761 6.614 9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.669 8.406 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.233 7.100 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.000 8.253 11.545 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.439 9.595 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.542 9.850 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.883 8.574 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.538 11.202 12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.325 10.867 13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.979 10.499 14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.207 8.987 14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.089 9.468 12.978 1.00 0.00 H new ATOM 1665 N TYR A 103 -1.775 6.544 7.633 1.00 0.00 N ATOM 1666 CA TYR A 103 -2.596 5.640 6.849 1.00 0.00 C ATOM 1667 C TYR A 103 -1.722 4.746 5.967 1.00 0.00 C ATOM 1668 O TYR A 103 -1.989 3.553 5.853 1.00 0.00 O ATOM 1669 CB TYR A 103 -3.615 6.425 6.033 1.00 0.00 C ATOM 1670 CG TYR A 103 -4.677 7.200 6.799 1.00 0.00 C ATOM 1671 CD1 TYR A 103 -4.792 7.156 8.208 1.00 0.00 C ATOM 1672 CD2 TYR A 103 -5.707 7.787 6.047 1.00 0.00 C ATOM 1673 CE1 TYR A 103 -5.934 7.680 8.838 1.00 0.00 C ATOM 1674 CE2 TYR A 103 -6.851 8.287 6.678 1.00 0.00 C ATOM 1675 CZ TYR A 103 -6.967 8.234 8.071 1.00 0.00 C ATOM 1676 OH TYR A 103 -8.086 8.714 8.672 1.00 0.00 O ATOM 0 H TYR A 103 -1.869 7.526 7.375 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.148 4.986 7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.072 7.130 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.122 5.728 5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.002 6.719 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.615 7.853 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.015 7.655 9.915 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.647 8.715 6.088 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.857 8.581 8.082 1.00 0.00 H new ATOM 1686 N LEU A 104 -0.636 5.281 5.402 1.00 0.00 N ATOM 1687 CA LEU A 104 0.299 4.449 4.647 1.00 0.00 C ATOM 1688 C LEU A 104 0.929 3.429 5.609 1.00 0.00 C ATOM 1689 O LEU A 104 1.134 2.273 5.250 1.00 0.00 O ATOM 1690 CB LEU A 104 1.339 5.295 3.894 1.00 0.00 C ATOM 1691 CG LEU A 104 0.712 6.199 2.813 1.00 0.00 C ATOM 1692 CD1 LEU A 104 1.658 7.348 2.440 1.00 0.00 C ATOM 1693 CD2 LEU A 104 0.406 5.447 1.513 1.00 0.00 C ATOM 0 H LEU A 104 -0.387 6.269 5.452 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.234 3.905 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.881 5.915 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.069 4.633 3.428 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.215 6.568 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.191 7.970 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.863 7.952 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.592 6.940 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.033 6.134 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.329 5.033 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.295 4.638 1.717 1.00 0.00 H new ATOM 1705 N GLU A 105 1.154 3.809 6.870 1.00 0.00 N ATOM 1706 CA GLU A 105 1.615 2.861 7.879 1.00 0.00 C ATOM 1707 C GLU A 105 0.519 1.810 8.123 1.00 0.00 C ATOM 1708 O GLU A 105 0.817 0.638 8.371 1.00 0.00 O ATOM 1709 CB GLU A 105 2.065 3.598 9.146 1.00 0.00 C ATOM 1710 CG GLU A 105 2.833 2.682 10.105 1.00 0.00 C ATOM 1711 CD GLU A 105 3.564 3.504 11.163 1.00 0.00 C ATOM 1712 OE1 GLU A 105 4.606 4.096 10.801 1.00 0.00 O ATOM 1713 OE2 GLU A 105 3.063 3.538 12.307 1.00 0.00 O ATOM 0 H GLU A 105 1.024 4.761 7.212 1.00 0.00 H new ATOM 0 HA GLU A 105 2.496 2.325 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.696 4.442 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.193 4.006 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.142 1.990 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.549 2.080 9.546 1.00 0.00 H new ATOM 1720 N PHE A 106 -0.758 2.206 8.083 1.00 0.00 N ATOM 1721 CA PHE A 106 -1.831 1.233 8.171 1.00 0.00 C ATOM 1722 C PHE A 106 -1.841 0.285 6.966 1.00 0.00 C ATOM 1723 O PHE A 106 -2.040 -0.914 7.160 1.00 0.00 O ATOM 1724 CB PHE A 106 -3.205 1.886 8.372 1.00 0.00 C ATOM 1725 CG PHE A 106 -3.451 2.689 9.642 1.00 0.00 C ATOM 1726 CD1 PHE A 106 -2.833 2.348 10.863 1.00 0.00 C ATOM 1727 CD2 PHE A 106 -4.423 3.709 9.626 1.00 0.00 C ATOM 1728 CE1 PHE A 106 -3.170 3.033 12.044 1.00 0.00 C ATOM 1729 CE2 PHE A 106 -4.739 4.411 10.802 1.00 0.00 C ATOM 1730 CZ PHE A 106 -4.130 4.059 12.016 1.00 0.00 C ATOM 0 H PHE A 106 -1.061 3.176 7.992 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.629 0.638 9.062 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.386 2.545 7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.956 1.097 8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.098 1.557 10.891 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.929 3.953 8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.690 2.770 12.975 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.451 5.222 10.771 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.398 4.575 12.926 1.00 0.00 H new ATOM 1740 N ILE A 107 -1.645 0.763 5.728 1.00 0.00 N ATOM 1741 CA ILE A 107 -1.584 -0.183 4.612 1.00 0.00 C ATOM 1742 C ILE A 107 -0.317 -1.029 4.710 1.00 0.00 C ATOM 1743 O ILE A 107 -0.290 -2.155 4.224 1.00 0.00 O ATOM 1744 CB ILE A 107 -1.804 0.438 3.215 1.00 0.00 C ATOM 1745 CG1 ILE A 107 -2.421 -0.614 2.277 1.00 0.00 C ATOM 1746 CG2 ILE A 107 -0.499 0.947 2.590 1.00 0.00 C ATOM 1747 CD1 ILE A 107 -2.906 -0.029 0.941 1.00 0.00 C ATOM 0 H ILE A 107 -1.532 1.747 5.484 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.446 -0.842 4.716 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.473 1.289 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.683 -1.391 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.260 -1.093 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.708 1.374 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.061 1.711 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.201 0.118 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.330 -0.824 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.667 0.728 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.066 0.425 0.416 1.00 0.00 H new ATOM 1759 N SER A 108 0.754 -0.478 5.288 1.00 0.00 N ATOM 1760 CA SER A 108 1.973 -1.232 5.518 1.00 0.00 C ATOM 1761 C SER A 108 1.621 -2.401 6.442 1.00 0.00 C ATOM 1762 O SER A 108 1.908 -3.555 6.127 1.00 0.00 O ATOM 1763 CB SER A 108 3.058 -0.308 6.092 1.00 0.00 C ATOM 1764 OG SER A 108 4.327 -0.925 6.141 1.00 0.00 O ATOM 0 H SER A 108 0.794 0.491 5.603 1.00 0.00 H new ATOM 0 HA SER A 108 2.384 -1.636 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.120 0.594 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.771 0.003 7.096 1.00 0.00 H new ATOM 0 HG SER A 108 4.572 -1.096 7.074 1.00 0.00 H new ATOM 1770 N GLU A 109 0.964 -2.094 7.567 1.00 0.00 N ATOM 1771 CA GLU A 109 0.472 -3.084 8.516 1.00 0.00 C ATOM 1772 C GLU A 109 -0.413 -4.103 7.792 1.00 0.00 C ATOM 1773 O GLU A 109 -0.249 -5.307 7.984 1.00 0.00 O ATOM 1774 CB GLU A 109 -0.232 -2.356 9.673 1.00 0.00 C ATOM 1775 CG GLU A 109 -0.946 -3.281 10.673 1.00 0.00 C ATOM 1776 CD GLU A 109 -2.405 -3.532 10.295 1.00 0.00 C ATOM 1777 OE1 GLU A 109 -3.205 -2.581 10.448 1.00 0.00 O ATOM 1778 OE2 GLU A 109 -2.697 -4.672 9.873 1.00 0.00 O ATOM 0 H GLU A 109 0.759 -1.133 7.842 1.00 0.00 H new ATOM 0 HA GLU A 109 1.291 -3.656 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.505 -1.760 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.961 -1.661 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.418 -4.233 10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.902 -2.838 11.668 1.00 0.00 H new ATOM 1785 N ALA A 110 -1.337 -3.638 6.947 1.00 0.00 N ATOM 1786 CA ALA A 110 -2.198 -4.523 6.175 1.00 0.00 C ATOM 1787 C ALA A 110 -1.354 -5.473 5.321 1.00 0.00 C ATOM 1788 O ALA A 110 -1.435 -6.684 5.502 1.00 0.00 O ATOM 1789 CB ALA A 110 -3.193 -3.714 5.344 1.00 0.00 C ATOM 0 H ALA A 110 -1.505 -2.645 6.783 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.784 -5.139 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.828 -4.393 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.812 -3.108 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.650 -3.063 4.658 1.00 0.00 H new ATOM 1795 N ILE A 111 -0.453 -4.945 4.482 1.00 0.00 N ATOM 1796 CA ILE A 111 0.421 -5.750 3.629 1.00 0.00 C ATOM 1797 C ILE A 111 1.131 -6.801 4.488 1.00 0.00 C ATOM 1798 O ILE A 111 1.052 -8.000 4.223 1.00 0.00 O ATOM 1799 CB ILE A 111 1.434 -4.846 2.891 1.00 0.00 C ATOM 1800 CG1 ILE A 111 0.725 -4.026 1.801 1.00 0.00 C ATOM 1801 CG2 ILE A 111 2.563 -5.672 2.247 1.00 0.00 C ATOM 1802 CD1 ILE A 111 1.497 -2.761 1.417 1.00 0.00 C ATOM 0 H ILE A 111 -0.312 -3.940 4.378 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.172 -6.261 2.871 1.00 0.00 H new ATOM 0 HB ILE A 111 1.871 -4.176 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.590 -4.647 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.269 -3.748 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.257 -5.004 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.095 -6.226 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.137 -6.371 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.950 -2.222 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.610 -2.123 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.482 -3.036 1.040 1.00 0.00 H new ATOM 1814 N ILE A 112 1.771 -6.355 5.573 1.00 0.00 N ATOM 1815 CA ILE A 112 2.527 -7.225 6.459 1.00 0.00 C ATOM 1816 C ILE A 112 1.605 -8.333 6.998 1.00 0.00 C ATOM 1817 O ILE A 112 1.964 -9.513 7.004 1.00 0.00 O ATOM 1818 CB ILE A 112 3.188 -6.363 7.565 1.00 0.00 C ATOM 1819 CG1 ILE A 112 4.342 -5.548 6.942 1.00 0.00 C ATOM 1820 CG2 ILE A 112 3.706 -7.197 8.743 1.00 0.00 C ATOM 1821 CD1 ILE A 112 4.853 -4.431 7.860 1.00 0.00 C ATOM 0 H ILE A 112 1.775 -5.375 5.857 1.00 0.00 H new ATOM 0 HA ILE A 112 3.334 -7.731 5.930 1.00 0.00 H new ATOM 0 HB ILE A 112 2.424 -5.699 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.166 -6.220 6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.005 -5.112 6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.158 -6.538 9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.877 -7.740 9.197 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.452 -7.907 8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.663 -3.895 7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.040 -3.739 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.220 -4.864 8.791 1.00 0.00 H new ATOM 1833 N HIS A 113 0.411 -7.964 7.469 1.00 0.00 N ATOM 1834 CA HIS A 113 -0.562 -8.907 8.004 1.00 0.00 C ATOM 1835 C HIS A 113 -0.964 -9.936 6.939 1.00 0.00 C ATOM 1836 O HIS A 113 -0.899 -11.143 7.189 1.00 0.00 O ATOM 1837 CB HIS A 113 -1.791 -8.172 8.554 1.00 0.00 C ATOM 1838 CG HIS A 113 -2.780 -9.127 9.168 1.00 0.00 C ATOM 1839 ND1 HIS A 113 -2.732 -9.598 10.464 1.00 0.00 N ATOM 1840 CD2 HIS A 113 -3.696 -9.872 8.479 1.00 0.00 C ATOM 1841 CE1 HIS A 113 -3.628 -10.594 10.569 1.00 0.00 C ATOM 1842 NE2 HIS A 113 -4.226 -10.774 9.378 1.00 0.00 N ATOM 0 H HIS A 113 0.095 -6.995 7.488 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.097 -9.443 8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -1.476 -7.444 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -2.273 -7.616 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.954 -9.774 7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.835 -11.159 11.466 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.950 -11.462 9.174 1.00 0.00 H new ATOM 1851 N VAL A 114 -1.343 -9.477 5.740 1.00 0.00 N ATOM 1852 CA VAL A 114 -1.783 -10.366 4.667 1.00 0.00 C ATOM 1853 C VAL A 114 -0.664 -11.350 4.334 1.00 0.00 C ATOM 1854 O VAL A 114 -0.927 -12.545 4.222 1.00 0.00 O ATOM 1855 CB VAL A 114 -2.294 -9.603 3.424 1.00 0.00 C ATOM 1856 CG1 VAL A 114 -2.758 -10.584 2.342 1.00 0.00 C ATOM 1857 CG2 VAL A 114 -3.509 -8.750 3.818 1.00 0.00 C ATOM 0 H VAL A 114 -1.352 -8.488 5.491 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.647 -10.928 5.021 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.479 -8.986 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.114 -10.028 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.924 -11.221 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.566 -11.202 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.873 -8.210 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.299 -9.397 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.218 -8.037 4.590 1.00 0.00 H new ATOM 1867 N LEU A 115 0.576 -10.866 4.207 1.00 0.00 N ATOM 1868 CA LEU A 115 1.714 -11.735 3.930 1.00 0.00 C ATOM 1869 C LEU A 115 1.798 -12.849 4.983 1.00 0.00 C ATOM 1870 O LEU A 115 1.733 -14.020 4.617 1.00 0.00 O ATOM 1871 CB LEU A 115 3.001 -10.915 3.778 1.00 0.00 C ATOM 1872 CG LEU A 115 2.956 -9.980 2.555 1.00 0.00 C ATOM 1873 CD1 LEU A 115 4.175 -9.053 2.566 1.00 0.00 C ATOM 1874 CD2 LEU A 115 2.913 -10.761 1.237 1.00 0.00 C ATOM 0 H LEU A 115 0.812 -9.877 4.292 1.00 0.00 H new ATOM 0 HA LEU A 115 1.574 -12.235 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.161 -10.323 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.851 -11.591 3.685 1.00 0.00 H new ATOM 0 HG LEU A 115 2.040 -9.393 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.138 -8.394 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.169 -8.455 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.086 -9.650 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.882 -10.062 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.802 -11.386 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.024 -11.391 1.216 1.00 0.00 H new ATOM 1886 N HIS A 116 1.832 -12.521 6.284 1.00 0.00 N ATOM 1887 CA HIS A 116 1.816 -13.542 7.340 1.00 0.00 C ATOM 1888 C HIS A 116 0.659 -14.531 7.137 1.00 0.00 C ATOM 1889 O HIS A 116 0.852 -15.744 7.140 1.00 0.00 O ATOM 1890 CB HIS A 116 1.619 -12.901 8.722 1.00 0.00 C ATOM 1891 CG HIS A 116 2.793 -12.185 9.338 1.00 0.00 C ATOM 1892 ND1 HIS A 116 3.038 -10.838 9.214 1.00 0.00 N ATOM 1893 CD2 HIS A 116 3.526 -12.646 10.395 1.00 0.00 C ATOM 1894 CE1 HIS A 116 3.907 -10.483 10.172 1.00 0.00 C ATOM 1895 NE2 HIS A 116 4.224 -11.565 10.897 1.00 0.00 N ATOM 0 H HIS A 116 1.871 -11.561 6.628 1.00 0.00 H new ATOM 0 HA HIS A 116 2.775 -14.058 7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 116 0.795 -12.191 8.648 1.00 0.00 H new ATOM 0 HB3 HIS A 116 1.304 -13.684 9.412 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.630 -10.217 8.515 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.554 -13.660 10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 116 4.290 -9.486 10.333 1.00 0.00 H new ATOM 0 HE2 HIS A 116 4.871 -11.586 11.685 1.00 0.00 H new ATOM 1904 N SER A 117 -0.553 -13.995 6.971 1.00 0.00 N ATOM 1905 CA SER A 117 -1.773 -14.783 6.863 1.00 0.00 C ATOM 1906 C SER A 117 -1.769 -15.773 5.696 1.00 0.00 C ATOM 1907 O SER A 117 -2.057 -16.954 5.878 1.00 0.00 O ATOM 1908 CB SER A 117 -2.980 -13.845 6.765 1.00 0.00 C ATOM 1909 OG SER A 117 -2.973 -12.920 7.834 1.00 0.00 O ATOM 0 H SER A 117 -0.711 -12.989 6.908 1.00 0.00 H new ATOM 0 HA SER A 117 -1.836 -15.391 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.958 -13.312 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.902 -14.426 6.784 1.00 0.00 H new ATOM 0 HG SER A 117 -2.334 -12.202 7.642 1.00 0.00 H new ATOM 1915 N ARG A 118 -1.495 -15.285 4.487 1.00 0.00 N ATOM 1916 CA ARG A 118 -1.539 -16.095 3.280 1.00 0.00 C ATOM 1917 C ARG A 118 -0.279 -16.932 3.108 1.00 0.00 C ATOM 1918 O ARG A 118 -0.323 -18.001 2.488 1.00 0.00 O ATOM 1919 CB ARG A 118 -1.698 -15.198 2.046 1.00 0.00 C ATOM 1920 CG ARG A 118 -2.976 -14.355 2.088 1.00 0.00 C ATOM 1921 CD ARG A 118 -3.272 -13.695 0.736 1.00 0.00 C ATOM 1922 NE ARG A 118 -3.569 -14.698 -0.295 1.00 0.00 N ATOM 1923 CZ ARG A 118 -4.101 -14.439 -1.498 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.447 -13.196 -1.848 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -4.289 -15.435 -2.366 1.00 0.00 N ATOM 0 H ARG A 118 -1.236 -14.313 4.321 1.00 0.00 H new ATOM 0 HA ARG A 118 -2.393 -16.765 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.834 -14.537 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.706 -15.818 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -3.817 -14.986 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -2.878 -13.585 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -4.117 -13.015 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.416 -13.095 0.427 1.00 0.00 H new ATOM 0 HE ARG A 118 -3.353 -15.671 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.308 -12.425 -1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.850 -13.019 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.028 -16.388 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.693 -15.243 -3.283 1.00 0.00 H new ATOM 1939 N HIS A 119 0.866 -16.421 3.570 1.00 0.00 N ATOM 1940 CA HIS A 119 2.134 -17.039 3.282 1.00 0.00 C ATOM 1941 C HIS A 119 2.983 -17.237 4.544 1.00 0.00 C ATOM 1942 O HIS A 119 4.066 -16.661 4.651 1.00 0.00 O ATOM 1943 CB HIS A 119 2.811 -16.186 2.198 1.00 0.00 C ATOM 1944 CG HIS A 119 1.897 -15.857 1.035 1.00 0.00 C ATOM 1945 ND1 HIS A 119 1.147 -16.772 0.318 1.00 0.00 N ATOM 1946 CD2 HIS A 119 1.624 -14.614 0.536 1.00 0.00 C ATOM 1947 CE1 HIS A 119 0.465 -16.097 -0.623 1.00 0.00 C ATOM 1948 NE2 HIS A 119 0.749 -14.787 -0.515 1.00 0.00 N ATOM 0 H HIS A 119 0.926 -15.580 4.144 1.00 0.00 H new ATOM 0 HA HIS A 119 2.000 -18.053 2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.166 -15.258 2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.687 -16.715 1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.019 -13.675 0.896 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.203 -16.536 -1.349 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.379 -14.046 -1.111 1.00 0.00 H new ATOM 1957 N PRO A 120 2.513 -18.045 5.511 1.00 0.00 N ATOM 1958 CA PRO A 120 3.223 -18.276 6.759 1.00 0.00 C ATOM 1959 C PRO A 120 4.579 -18.942 6.519 1.00 0.00 C ATOM 1960 O PRO A 120 5.603 -18.433 6.970 1.00 0.00 O ATOM 1961 CB PRO A 120 2.285 -19.126 7.624 1.00 0.00 C ATOM 1962 CG PRO A 120 1.362 -19.812 6.616 1.00 0.00 C ATOM 1963 CD PRO A 120 1.254 -18.777 5.496 1.00 0.00 C ATOM 0 HA PRO A 120 3.463 -17.341 7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 120 2.840 -19.854 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.721 -18.509 8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 120 1.781 -20.752 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 120 0.389 -20.041 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 120 1.093 -19.259 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 120 0.410 -18.107 5.662 1.00 0.00 H new ATOM 1971 N GLY A 121 4.614 -20.061 5.786 1.00 0.00 N ATOM 1972 CA GLY A 121 5.848 -20.788 5.482 1.00 0.00 C ATOM 1973 C GLY A 121 6.675 -20.090 4.398 1.00 0.00 C ATOM 1974 O GLY A 121 7.241 -20.733 3.514 1.00 0.00 O ATOM 0 H GLY A 121 3.780 -20.489 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.445 -20.883 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 121 5.602 -21.798 5.156 1.00 0.00 H new ATOM 1978 N ASP A 122 6.828 -18.773 4.509 1.00 0.00 N ATOM 1979 CA ASP A 122 7.483 -17.977 3.501 1.00 0.00 C ATOM 1980 C ASP A 122 7.812 -16.613 4.090 1.00 0.00 C ATOM 1981 O ASP A 122 8.908 -16.078 3.902 1.00 0.00 O ATOM 1982 CB ASP A 122 6.527 -17.845 2.305 1.00 0.00 C ATOM 1983 CG ASP A 122 6.880 -16.665 1.400 1.00 0.00 C ATOM 1984 OD1 ASP A 122 7.901 -16.778 0.688 1.00 0.00 O ATOM 1985 OD2 ASP A 122 6.120 -15.674 1.435 1.00 0.00 O ATOM 0 H ASP A 122 6.496 -18.235 5.309 1.00 0.00 H new ATOM 0 HA ASP A 122 8.411 -18.441 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.551 -18.766 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.507 -17.726 2.671 1.00 0.00 H new ATOM 1990 N PHE A 123 6.810 -15.994 4.722 1.00 0.00 N ATOM 1991 CA PHE A 123 6.992 -14.699 5.321 1.00 0.00 C ATOM 1992 C PHE A 123 7.542 -14.834 6.741 1.00 0.00 C ATOM 1993 O PHE A 123 6.833 -14.635 7.727 1.00 0.00 O ATOM 1994 CB PHE A 123 5.694 -13.888 5.213 1.00 0.00 C ATOM 1995 CG PHE A 123 5.879 -12.417 5.495 1.00 0.00 C ATOM 1996 CD1 PHE A 123 6.738 -11.654 4.690 1.00 0.00 C ATOM 1997 CD2 PHE A 123 5.131 -11.792 6.502 1.00 0.00 C ATOM 1998 CE1 PHE A 123 6.812 -10.265 4.858 1.00 0.00 C ATOM 1999 CE2 PHE A 123 5.206 -10.403 6.672 1.00 0.00 C ATOM 2000 CZ PHE A 123 6.038 -9.638 5.843 1.00 0.00 C ATOM 0 H PHE A 123 5.872 -16.381 4.824 1.00 0.00 H new ATOM 0 HA PHE A 123 7.747 -14.132 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 123 5.281 -14.009 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 123 4.962 -14.294 5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.344 -12.139 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 123 4.496 -12.381 7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.465 -9.678 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 123 4.622 -9.922 7.443 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.082 -8.566 5.964 1.00 0.00 H new ATOM 2010 N GLY A 124 8.808 -15.254 6.838 1.00 0.00 N ATOM 2011 CA GLY A 124 9.469 -15.388 8.123 1.00 0.00 C ATOM 2012 C GLY A 124 9.969 -14.032 8.627 1.00 0.00 C ATOM 2013 O GLY A 124 9.912 -13.035 7.911 1.00 0.00 O ATOM 0 H GLY A 124 9.388 -15.505 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.778 -15.817 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 124 10.308 -16.079 8.034 1.00 0.00 H new ATOM 2017 N ALA A 125 10.495 -13.993 9.857 1.00 0.00 N ATOM 2018 CA ALA A 125 10.966 -12.768 10.503 1.00 0.00 C ATOM 2019 C ALA A 125 11.911 -11.961 9.604 1.00 0.00 C ATOM 2020 O ALA A 125 11.775 -10.746 9.475 1.00 0.00 O ATOM 2021 CB ALA A 125 11.644 -13.114 11.830 1.00 0.00 C ATOM 0 H ALA A 125 10.606 -14.824 10.437 1.00 0.00 H new ATOM 0 HA ALA A 125 10.098 -12.136 10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 125 11.994 -12.200 12.309 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.930 -13.616 12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.492 -13.774 11.644 1.00 0.00 H new ATOM 2027 N ASP A 126 12.838 -12.642 8.926 1.00 0.00 N ATOM 2028 CA ASP A 126 13.795 -12.002 8.025 1.00 0.00 C ATOM 2029 C ASP A 126 13.036 -11.221 6.947 1.00 0.00 C ATOM 2030 O ASP A 126 13.366 -10.073 6.642 1.00 0.00 O ATOM 2031 CB ASP A 126 14.690 -13.066 7.370 1.00 0.00 C ATOM 2032 CG ASP A 126 15.444 -13.888 8.409 1.00 0.00 C ATOM 2033 OD1 ASP A 126 14.779 -14.747 9.032 1.00 0.00 O ATOM 2034 OD2 ASP A 126 16.658 -13.636 8.571 1.00 0.00 O ATOM 0 H ASP A 126 12.945 -13.655 8.988 1.00 0.00 H new ATOM 0 HA ASP A 126 14.423 -11.316 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 126 14.079 -13.728 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 126 15.403 -12.581 6.703 1.00 0.00 H new ATOM 2039 N ALA A 127 12.004 -11.857 6.382 1.00 0.00 N ATOM 2040 CA ALA A 127 11.162 -11.244 5.374 1.00 0.00 C ATOM 2041 C ALA A 127 10.422 -10.070 6.006 1.00 0.00 C ATOM 2042 O ALA A 127 10.546 -8.964 5.505 1.00 0.00 O ATOM 2043 CB ALA A 127 10.212 -12.266 4.755 1.00 0.00 C ATOM 0 H ALA A 127 11.737 -12.813 6.618 1.00 0.00 H new ATOM 0 HA ALA A 127 11.775 -10.869 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.593 -11.778 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.790 -13.064 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.574 -12.687 5.532 1.00 0.00 H new ATOM 2049 N GLN A 128 9.735 -10.291 7.133 1.00 0.00 N ATOM 2050 CA GLN A 128 9.036 -9.256 7.896 1.00 0.00 C ATOM 2051 C GLN A 128 9.894 -7.993 8.008 1.00 0.00 C ATOM 2052 O GLN A 128 9.453 -6.899 7.659 1.00 0.00 O ATOM 2053 CB GLN A 128 8.670 -9.815 9.278 1.00 0.00 C ATOM 2054 CG GLN A 128 7.684 -8.946 10.066 1.00 0.00 C ATOM 2055 CD GLN A 128 7.498 -9.506 11.474 1.00 0.00 C ATOM 2056 OE1 GLN A 128 6.452 -10.053 11.812 1.00 0.00 O ATOM 2057 NE2 GLN A 128 8.526 -9.390 12.310 1.00 0.00 N ATOM 0 H GLN A 128 9.649 -11.219 7.548 1.00 0.00 H new ATOM 0 HA GLN A 128 8.120 -8.974 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 128 8.241 -10.809 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.582 -9.932 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 128 8.053 -7.922 10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 128 6.724 -8.913 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.384 -8.931 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.457 -9.760 13.258 1.00 0.00 H new ATOM 2066 N GLY A 129 11.136 -8.157 8.466 1.00 0.00 N ATOM 2067 CA GLY A 129 12.084 -7.065 8.604 1.00 0.00 C ATOM 2068 C GLY A 129 12.375 -6.384 7.268 1.00 0.00 C ATOM 2069 O GLY A 129 12.262 -5.164 7.157 1.00 0.00 O ATOM 0 H GLY A 129 11.510 -9.062 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.690 -6.330 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.014 -7.444 9.027 1.00 0.00 H new ATOM 2073 N ALA A 130 12.775 -7.157 6.257 1.00 0.00 N ATOM 2074 CA ALA A 130 13.099 -6.605 4.946 1.00 0.00 C ATOM 2075 C ALA A 130 11.909 -5.849 4.338 1.00 0.00 C ATOM 2076 O ALA A 130 12.059 -4.749 3.804 1.00 0.00 O ATOM 2077 CB ALA A 130 13.584 -7.736 4.038 1.00 0.00 C ATOM 0 H ALA A 130 12.882 -8.169 6.324 1.00 0.00 H new ATOM 0 HA ALA A 130 13.897 -5.871 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 130 13.829 -7.334 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 130 14.471 -8.197 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 130 12.798 -8.485 3.938 1.00 0.00 H new ATOM 2083 N MET A 131 10.732 -6.466 4.371 1.00 0.00 N ATOM 2084 CA MET A 131 9.491 -5.899 3.895 1.00 0.00 C ATOM 2085 C MET A 131 9.176 -4.617 4.651 1.00 0.00 C ATOM 2086 O MET A 131 8.932 -3.588 4.025 1.00 0.00 O ATOM 2087 CB MET A 131 8.387 -6.958 4.022 1.00 0.00 C ATOM 2088 CG MET A 131 7.064 -6.514 3.387 1.00 0.00 C ATOM 2089 SD MET A 131 7.095 -6.112 1.620 1.00 0.00 S ATOM 2090 CE MET A 131 7.647 -7.687 0.936 1.00 0.00 C ATOM 0 H MET A 131 10.620 -7.408 4.745 1.00 0.00 H new ATOM 0 HA MET A 131 9.569 -5.622 2.844 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.720 -7.882 3.549 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.222 -7.180 5.076 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.331 -7.306 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 131 6.706 -5.638 3.928 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.599 -7.648 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.674 -7.879 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.002 -8.487 1.299 1.00 0.00 H new ATOM 2100 N ASN A 132 9.178 -4.662 5.986 1.00 0.00 N ATOM 2101 CA ASN A 132 8.919 -3.463 6.770 1.00 0.00 C ATOM 2102 C ASN A 132 9.913 -2.369 6.378 1.00 0.00 C ATOM 2103 O ASN A 132 9.512 -1.226 6.187 1.00 0.00 O ATOM 2104 CB ASN A 132 8.948 -3.732 8.278 1.00 0.00 C ATOM 2105 CG ASN A 132 8.725 -2.421 9.027 1.00 0.00 C ATOM 2106 OD1 ASN A 132 7.719 -1.747 8.824 1.00 0.00 O ATOM 2107 ND2 ASN A 132 9.660 -2.038 9.888 1.00 0.00 N ATOM 0 H ASN A 132 9.354 -5.504 6.535 1.00 0.00 H new ATOM 0 HA ASN A 132 7.908 -3.124 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.176 -4.453 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 132 9.905 -4.169 8.563 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.553 -1.163 10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.485 -2.619 10.036 1.00 0.00 H new ATOM 2114 N LYS A 133 11.201 -2.699 6.232 1.00 0.00 N ATOM 2115 CA LYS A 133 12.180 -1.718 5.786 1.00 0.00 C ATOM 2116 C LYS A 133 11.772 -1.136 4.427 1.00 0.00 C ATOM 2117 O LYS A 133 11.713 0.081 4.281 1.00 0.00 O ATOM 2118 CB LYS A 133 13.586 -2.324 5.744 1.00 0.00 C ATOM 2119 CG LYS A 133 14.196 -2.449 7.145 1.00 0.00 C ATOM 2120 CD LYS A 133 15.615 -3.032 7.098 1.00 0.00 C ATOM 2121 CE LYS A 133 16.589 -2.142 6.317 1.00 0.00 C ATOM 2122 NZ LYS A 133 17.969 -2.647 6.389 1.00 0.00 N ATOM 0 H LYS A 133 11.581 -3.628 6.415 1.00 0.00 H new ATOM 0 HA LYS A 133 12.204 -0.900 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.543 -3.308 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 133 14.230 -1.703 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.221 -1.468 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.562 -3.085 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 133 15.984 -3.164 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.583 -4.020 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.276 -2.088 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 133 16.552 -1.127 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 18.559 -2.147 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 18.348 -2.486 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 17.977 -3.666 6.180 1.00 0.00 H new ATOM 2136 N ALA A 134 11.433 -1.973 3.443 1.00 0.00 N ATOM 2137 CA ALA A 134 11.017 -1.501 2.123 1.00 0.00 C ATOM 2138 C ALA A 134 9.812 -0.559 2.220 1.00 0.00 C ATOM 2139 O ALA A 134 9.759 0.492 1.576 1.00 0.00 O ATOM 2140 CB ALA A 134 10.694 -2.687 1.212 1.00 0.00 C ATOM 0 H ALA A 134 11.439 -2.988 3.539 1.00 0.00 H new ATOM 0 HA ALA A 134 11.846 -0.939 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 134 10.386 -2.320 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 134 11.579 -3.314 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.886 -3.273 1.651 1.00 0.00 H new ATOM 2146 N LEU A 135 8.809 -0.957 3.001 1.00 0.00 N ATOM 2147 CA LEU A 135 7.617 -0.148 3.189 1.00 0.00 C ATOM 2148 C LEU A 135 7.987 1.169 3.873 1.00 0.00 C ATOM 2149 O LEU A 135 7.561 2.232 3.433 1.00 0.00 O ATOM 2150 CB LEU A 135 6.533 -0.945 3.928 1.00 0.00 C ATOM 2151 CG LEU A 135 6.074 -2.180 3.124 1.00 0.00 C ATOM 2152 CD1 LEU A 135 5.282 -3.147 4.010 1.00 0.00 C ATOM 2153 CD2 LEU A 135 5.200 -1.792 1.927 1.00 0.00 C ATOM 0 H LEU A 135 8.803 -1.839 3.513 1.00 0.00 H new ATOM 0 HA LEU A 135 7.186 0.112 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.916 -1.265 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.676 -0.299 4.121 1.00 0.00 H new ATOM 0 HG LEU A 135 6.980 -2.664 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.970 -4.009 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.910 -3.481 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.402 -2.640 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.899 -2.691 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.313 -1.266 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.765 -1.142 1.259 1.00 0.00 H new ATOM 2165 N GLU A 136 8.861 1.127 4.878 1.00 0.00 N ATOM 2166 CA GLU A 136 9.318 2.313 5.592 1.00 0.00 C ATOM 2167 C GLU A 136 10.040 3.232 4.611 1.00 0.00 C ATOM 2168 O GLU A 136 9.804 4.433 4.612 1.00 0.00 O ATOM 2169 CB GLU A 136 10.237 1.933 6.759 1.00 0.00 C ATOM 2170 CG GLU A 136 9.422 1.434 7.959 1.00 0.00 C ATOM 2171 CD GLU A 136 10.294 0.918 9.100 1.00 0.00 C ATOM 2172 OE1 GLU A 136 11.504 0.705 8.865 1.00 0.00 O ATOM 2173 OE2 GLU A 136 9.725 0.719 10.197 1.00 0.00 O ATOM 0 H GLU A 136 9.274 0.260 5.221 1.00 0.00 H new ATOM 0 HA GLU A 136 8.458 2.833 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.934 1.158 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.833 2.797 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.794 2.245 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.754 0.638 7.631 1.00 0.00 H new ATOM 2180 N LEU A 137 10.914 2.680 3.764 1.00 0.00 N ATOM 2181 CA LEU A 137 11.614 3.435 2.737 1.00 0.00 C ATOM 2182 C LEU A 137 10.558 4.132 1.872 1.00 0.00 C ATOM 2183 O LEU A 137 10.563 5.358 1.766 1.00 0.00 O ATOM 2184 CB LEU A 137 12.578 2.506 1.970 1.00 0.00 C ATOM 2185 CG LEU A 137 13.197 3.115 0.701 1.00 0.00 C ATOM 2186 CD1 LEU A 137 13.988 4.392 1.007 1.00 0.00 C ATOM 2187 CD2 LEU A 137 14.121 2.086 0.035 1.00 0.00 C ATOM 0 H LEU A 137 11.153 1.688 3.777 1.00 0.00 H new ATOM 0 HA LEU A 137 12.252 4.215 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 137 13.383 2.209 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 137 12.041 1.598 1.694 1.00 0.00 H new ATOM 0 HG LEU A 137 12.382 3.381 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 137 14.408 4.790 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.324 5.133 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 137 14.794 4.162 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.559 2.519 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.915 1.808 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 137 13.546 1.200 -0.232 1.00 0.00 H new ATOM 2199 N PHE A 138 9.537 3.390 1.424 1.00 0.00 N ATOM 2200 CA PHE A 138 8.460 3.964 0.624 1.00 0.00 C ATOM 2201 C PHE A 138 7.814 5.148 1.370 1.00 0.00 C ATOM 2202 O PHE A 138 7.866 6.285 0.895 1.00 0.00 O ATOM 2203 CB PHE A 138 7.481 2.848 0.229 1.00 0.00 C ATOM 2204 CG PHE A 138 6.091 3.304 -0.148 1.00 0.00 C ATOM 2205 CD1 PHE A 138 5.824 3.749 -1.452 1.00 0.00 C ATOM 2206 CD2 PHE A 138 5.104 3.415 0.844 1.00 0.00 C ATOM 2207 CE1 PHE A 138 4.529 4.167 -1.799 1.00 0.00 C ATOM 2208 CE2 PHE A 138 3.880 4.041 0.544 1.00 0.00 C ATOM 2209 CZ PHE A 138 3.571 4.379 -0.790 1.00 0.00 C ATOM 0 H PHE A 138 9.439 2.391 1.605 1.00 0.00 H new ATOM 0 HA PHE A 138 8.842 4.386 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 138 7.904 2.298 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 138 7.401 2.148 1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 138 6.614 3.770 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 138 5.283 3.021 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 138 4.269 4.325 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 138 3.178 4.262 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 138 2.606 4.798 -1.035 1.00 0.00 H new ATOM 2219 N ARG A 139 7.289 4.905 2.576 1.00 0.00 N ATOM 2220 CA ARG A 139 6.654 5.920 3.415 1.00 0.00 C ATOM 2221 C ARG A 139 7.557 7.149 3.590 1.00 0.00 C ATOM 2222 O ARG A 139 7.111 8.281 3.424 1.00 0.00 O ATOM 2223 CB ARG A 139 6.288 5.298 4.779 1.00 0.00 C ATOM 2224 CG ARG A 139 4.959 4.526 4.739 1.00 0.00 C ATOM 2225 CD ARG A 139 4.975 3.193 5.503 1.00 0.00 C ATOM 2226 NE ARG A 139 5.327 3.349 6.923 1.00 0.00 N ATOM 2227 CZ ARG A 139 5.819 2.375 7.708 1.00 0.00 C ATOM 2228 NH1 ARG A 139 5.950 1.117 7.266 1.00 0.00 N ATOM 2229 NH2 ARG A 139 6.176 2.658 8.965 1.00 0.00 N ATOM 0 H ARG A 139 7.295 3.978 3.002 1.00 0.00 H new ATOM 0 HA ARG A 139 5.744 6.264 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 139 7.086 4.625 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 139 6.223 6.087 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 139 4.173 5.158 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 139 4.697 4.331 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 139 3.994 2.725 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 139 5.688 2.518 5.030 1.00 0.00 H new ATOM 0 HE ARG A 139 5.187 4.267 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 139 5.673 0.880 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 139 6.326 0.397 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 139 6.074 3.608 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 139 6.550 1.924 9.566 1.00 0.00 H new ATOM 2243 N LYS A 140 8.835 6.942 3.905 1.00 0.00 N ATOM 2244 CA LYS A 140 9.797 8.015 4.113 1.00 0.00 C ATOM 2245 C LYS A 140 10.117 8.775 2.823 1.00 0.00 C ATOM 2246 O LYS A 140 10.297 9.994 2.868 1.00 0.00 O ATOM 2247 CB LYS A 140 11.070 7.459 4.761 1.00 0.00 C ATOM 2248 CG LYS A 140 10.883 6.992 6.218 1.00 0.00 C ATOM 2249 CD LYS A 140 10.415 8.072 7.205 1.00 0.00 C ATOM 2250 CE LYS A 140 11.312 9.314 7.196 1.00 0.00 C ATOM 2251 NZ LYS A 140 10.937 10.250 8.270 1.00 0.00 N ATOM 0 H LYS A 140 9.233 6.010 4.024 1.00 0.00 H new ATOM 0 HA LYS A 140 9.342 8.739 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.431 6.620 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.844 8.226 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.160 6.176 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.829 6.584 6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 140 9.394 8.365 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 140 10.393 7.653 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 140 12.353 9.015 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 140 11.235 9.814 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 11.561 11.081 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 9.951 10.552 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 11.034 9.778 9.192 1.00 0.00 H new ATOM 2265 N ASP A 141 10.131 8.111 1.660 1.00 0.00 N ATOM 2266 CA ASP A 141 10.405 8.810 0.416 1.00 0.00 C ATOM 2267 C ASP A 141 9.212 9.728 0.178 1.00 0.00 C ATOM 2268 O ASP A 141 9.347 10.938 -0.004 1.00 0.00 O ATOM 2269 CB ASP A 141 10.649 7.809 -0.724 1.00 0.00 C ATOM 2270 CG ASP A 141 11.208 8.467 -1.984 1.00 0.00 C ATOM 2271 OD1 ASP A 141 11.236 9.715 -2.032 1.00 0.00 O ATOM 2272 OD2 ASP A 141 11.608 7.705 -2.890 1.00 0.00 O ATOM 0 H ASP A 141 9.958 7.110 1.563 1.00 0.00 H new ATOM 0 HA ASP A 141 11.317 9.405 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.343 7.040 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 141 9.712 7.308 -0.967 1.00 0.00 H new ATOM 2277 N ILE A 142 8.013 9.156 0.307 1.00 0.00 N ATOM 2278 CA ILE A 142 6.786 9.916 0.173 1.00 0.00 C ATOM 2279 C ILE A 142 6.760 11.051 1.201 1.00 0.00 C ATOM 2280 O ILE A 142 6.375 12.161 0.863 1.00 0.00 O ATOM 2281 CB ILE A 142 5.575 8.972 0.196 1.00 0.00 C ATOM 2282 CG1 ILE A 142 5.719 8.080 -1.047 1.00 0.00 C ATOM 2283 CG2 ILE A 142 4.284 9.791 0.226 1.00 0.00 C ATOM 2284 CD1 ILE A 142 4.401 7.487 -1.538 1.00 0.00 C ATOM 0 H ILE A 142 7.874 8.165 0.505 1.00 0.00 H new ATOM 0 HA ILE A 142 6.735 10.412 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 142 5.533 8.342 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 142 6.166 8.664 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 142 6.410 7.268 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.427 9.118 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.271 10.417 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.233 10.422 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.585 6.870 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 142 3.962 6.874 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.714 8.292 -1.797 1.00 0.00 H new ATOM 2296 N ALA A 143 7.244 10.824 2.422 1.00 0.00 N ATOM 2297 CA ALA A 143 7.324 11.845 3.459 1.00 0.00 C ATOM 2298 C ALA A 143 8.193 13.010 2.990 1.00 0.00 C ATOM 2299 O ALA A 143 7.815 14.169 3.144 1.00 0.00 O ATOM 2300 CB ALA A 143 7.846 11.268 4.778 1.00 0.00 C ATOM 0 H ALA A 143 7.595 9.914 2.719 1.00 0.00 H new ATOM 0 HA ALA A 143 6.316 12.216 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 143 7.892 12.058 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.175 10.481 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 143 8.843 10.854 4.625 1.00 0.00 H new ATOM 2306 N ALA A 144 9.362 12.716 2.422 1.00 0.00 N ATOM 2307 CA ALA A 144 10.215 13.758 1.875 1.00 0.00 C ATOM 2308 C ALA A 144 9.471 14.544 0.790 1.00 0.00 C ATOM 2309 O ALA A 144 9.544 15.775 0.749 1.00 0.00 O ATOM 2310 CB ALA A 144 11.509 13.138 1.350 1.00 0.00 C ATOM 0 H ALA A 144 9.734 11.771 2.331 1.00 0.00 H new ATOM 0 HA ALA A 144 10.477 14.467 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 144 12.147 13.921 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 144 12.029 12.636 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.275 12.415 0.569 1.00 0.00 H new ATOM 2316 N LYS A 145 8.744 13.838 -0.081 1.00 0.00 N ATOM 2317 CA LYS A 145 7.952 14.515 -1.103 1.00 0.00 C ATOM 2318 C LYS A 145 6.868 15.382 -0.451 1.00 0.00 C ATOM 2319 O LYS A 145 6.740 16.552 -0.791 1.00 0.00 O ATOM 2320 CB LYS A 145 7.371 13.513 -2.106 1.00 0.00 C ATOM 2321 CG LYS A 145 8.296 13.262 -3.307 1.00 0.00 C ATOM 2322 CD LYS A 145 9.655 12.660 -2.934 1.00 0.00 C ATOM 2323 CE LYS A 145 10.501 12.413 -4.190 1.00 0.00 C ATOM 2324 NZ LYS A 145 11.826 11.870 -3.841 1.00 0.00 N ATOM 0 H LYS A 145 8.689 12.820 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 145 8.605 15.179 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 145 7.180 12.568 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 145 6.410 13.882 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 145 7.794 12.593 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 145 8.459 14.204 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 145 10.184 13.333 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 145 9.508 11.722 -2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 145 9.982 11.718 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 145 10.621 13.346 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 12.304 11.539 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 12.398 12.613 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 11.712 11.074 -3.182 1.00 0.00 H new ATOM 2338 N TYR A 146 6.164 14.868 0.556 1.00 0.00 N ATOM 2339 CA TYR A 146 5.114 15.583 1.264 1.00 0.00 C ATOM 2340 C TYR A 146 5.688 16.877 1.839 1.00 0.00 C ATOM 2341 O TYR A 146 5.140 17.953 1.628 1.00 0.00 O ATOM 2342 CB TYR A 146 4.593 14.722 2.418 1.00 0.00 C ATOM 2343 CG TYR A 146 3.470 13.751 2.126 1.00 0.00 C ATOM 2344 CD1 TYR A 146 3.287 13.159 0.859 1.00 0.00 C ATOM 2345 CD2 TYR A 146 2.607 13.406 3.182 1.00 0.00 C ATOM 2346 CE1 TYR A 146 2.199 12.294 0.642 1.00 0.00 C ATOM 2347 CE2 TYR A 146 1.543 12.523 2.967 1.00 0.00 C ATOM 2348 CZ TYR A 146 1.306 12.007 1.684 1.00 0.00 C ATOM 2349 OH TYR A 146 0.248 11.181 1.456 1.00 0.00 O ATOM 0 H TYR A 146 6.314 13.922 0.907 1.00 0.00 H new ATOM 0 HA TYR A 146 4.301 15.805 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.433 14.152 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 146 4.258 15.392 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.980 13.369 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 146 2.767 13.825 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.051 11.849 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 146 0.904 12.238 3.790 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.360 11.208 2.224 1.00 0.00 H new ATOM 2359 N LYS A 147 6.813 16.782 2.550 1.00 0.00 N ATOM 2360 CA LYS A 147 7.461 17.940 3.144 1.00 0.00 C ATOM 2361 C LYS A 147 7.808 18.967 2.060 1.00 0.00 C ATOM 2362 O LYS A 147 7.577 20.159 2.247 1.00 0.00 O ATOM 2363 CB LYS A 147 8.696 17.485 3.932 1.00 0.00 C ATOM 2364 CG LYS A 147 8.288 16.648 5.154 1.00 0.00 C ATOM 2365 CD LYS A 147 9.512 15.951 5.754 1.00 0.00 C ATOM 2366 CE LYS A 147 9.090 15.069 6.932 1.00 0.00 C ATOM 2367 NZ LYS A 147 10.241 14.344 7.497 1.00 0.00 N ATOM 0 H LYS A 147 7.295 15.901 2.727 1.00 0.00 H new ATOM 0 HA LYS A 147 6.782 18.430 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.349 16.898 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.267 18.355 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 147 7.822 17.289 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.545 15.906 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.004 15.345 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.236 16.694 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 147 8.631 15.686 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 147 8.334 14.356 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 9.923 13.755 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.663 13.738 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 10.950 15.026 7.833 1.00 0.00 H new ATOM 2381 N GLU A 148 8.348 18.504 0.927 1.00 0.00 N ATOM 2382 CA GLU A 148 8.677 19.367 -0.199 1.00 0.00 C ATOM 2383 C GLU A 148 7.426 20.057 -0.760 1.00 0.00 C ATOM 2384 O GLU A 148 7.458 21.252 -1.045 1.00 0.00 O ATOM 2385 CB GLU A 148 9.450 18.538 -1.239 1.00 0.00 C ATOM 2386 CG GLU A 148 9.663 19.229 -2.597 1.00 0.00 C ATOM 2387 CD GLU A 148 8.523 18.951 -3.580 1.00 0.00 C ATOM 2388 OE1 GLU A 148 8.350 17.760 -3.921 1.00 0.00 O ATOM 2389 OE2 GLU A 148 7.857 19.927 -3.986 1.00 0.00 O ATOM 0 H GLU A 148 8.567 17.520 0.771 1.00 0.00 H new ATOM 0 HA GLU A 148 9.322 20.184 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 148 10.424 18.280 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 148 8.916 17.602 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 148 9.753 20.304 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 148 10.604 18.889 -3.031 1.00 0.00 H new ATOM 2396 N LEU A 149 6.346 19.304 -0.975 1.00 0.00 N ATOM 2397 CA LEU A 149 5.101 19.833 -1.514 1.00 0.00 C ATOM 2398 C LEU A 149 4.404 20.782 -0.537 1.00 0.00 C ATOM 2399 O LEU A 149 3.810 21.769 -0.960 1.00 0.00 O ATOM 2400 CB LEU A 149 4.165 18.673 -1.877 1.00 0.00 C ATOM 2401 CG LEU A 149 4.715 17.774 -2.996 1.00 0.00 C ATOM 2402 CD1 LEU A 149 3.942 16.454 -2.995 1.00 0.00 C ATOM 2403 CD2 LEU A 149 4.598 18.440 -4.372 1.00 0.00 C ATOM 0 H LEU A 149 6.315 18.304 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 149 5.344 20.410 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 149 3.987 18.067 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 149 3.201 19.077 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 149 5.774 17.598 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.324 15.808 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 149 4.066 15.960 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 149 2.884 16.652 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 149 4.998 17.772 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.550 18.650 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 149 5.163 19.372 -4.374 1.00 0.00 H new ATOM 2415 N GLY A 150 4.451 20.462 0.758 1.00 0.00 N ATOM 2416 CA GLY A 150 3.836 21.227 1.831 1.00 0.00 C ATOM 2417 C GLY A 150 2.739 20.438 2.549 1.00 0.00 C ATOM 2418 O GLY A 150 1.649 20.958 2.777 1.00 0.00 O ATOM 0 H GLY A 150 4.938 19.631 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 150 4.601 21.520 2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.413 22.145 1.424 1.00 0.00 H new ATOM 2422 N TYR A 151 3.036 19.197 2.946 1.00 0.00 N ATOM 2423 CA TYR A 151 2.146 18.329 3.708 1.00 0.00 C ATOM 2424 C TYR A 151 2.957 17.741 4.859 1.00 0.00 C ATOM 2425 O TYR A 151 4.120 17.376 4.678 1.00 0.00 O ATOM 2426 CB TYR A 151 1.507 17.250 2.818 1.00 0.00 C ATOM 2427 CG TYR A 151 0.251 17.738 2.119 1.00 0.00 C ATOM 2428 CD1 TYR A 151 0.361 18.518 0.955 1.00 0.00 C ATOM 2429 CD2 TYR A 151 -1.008 17.560 2.725 1.00 0.00 C ATOM 2430 CE1 TYR A 151 -0.782 19.109 0.392 1.00 0.00 C ATOM 2431 CE2 TYR A 151 -2.142 18.189 2.187 1.00 0.00 C ATOM 2432 CZ TYR A 151 -2.031 18.961 1.017 1.00 0.00 C ATOM 2433 OH TYR A 151 -3.132 19.584 0.511 1.00 0.00 O ATOM 0 H TYR A 151 3.933 18.759 2.737 1.00 0.00 H new ATOM 0 HA TYR A 151 1.307 18.897 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 151 2.231 16.925 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 151 1.264 16.379 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 151 1.326 18.663 0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 151 -1.101 16.939 3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 151 -0.700 19.678 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 151 -3.101 18.080 2.672 1.00 0.00 H new ATOM 0 HH TYR A 151 -3.038 19.677 -0.460 1.00 0.00 H new ATOM 2443 N GLN A 152 2.367 17.701 6.060 1.00 0.00 N ATOM 2444 CA GLN A 152 2.948 17.194 7.293 1.00 0.00 C ATOM 2445 C GLN A 152 4.121 18.025 7.833 1.00 0.00 C ATOM 2446 O GLN A 152 4.121 18.370 9.012 1.00 0.00 O ATOM 2447 CB GLN A 152 3.247 15.696 7.146 1.00 0.00 C ATOM 2448 CG GLN A 152 2.121 14.871 7.785 1.00 0.00 C ATOM 2449 CD GLN A 152 2.292 13.366 7.591 1.00 0.00 C ATOM 2450 OE1 GLN A 152 1.337 12.662 7.271 1.00 0.00 O ATOM 2451 NE2 GLN A 152 3.500 12.846 7.791 1.00 0.00 N ATOM 0 H GLN A 152 1.416 18.043 6.197 1.00 0.00 H new ATOM 0 HA GLN A 152 2.204 17.309 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 152 3.345 15.438 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 152 4.198 15.458 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 152 2.079 15.091 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.167 15.179 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 152 4.278 13.450 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.648 11.843 7.679 1.00 0.00 H new ATOM 2460 N GLY A 153 5.131 18.336 7.018 1.00 0.00 N ATOM 2461 CA GLY A 153 6.263 19.149 7.444 1.00 0.00 C ATOM 2462 C GLY A 153 5.789 20.503 7.972 1.00 0.00 C ATOM 2463 O GLY A 153 5.083 21.228 7.275 1.00 0.00 O ATOM 0 H GLY A 153 5.184 18.030 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.821 18.626 8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 153 6.945 19.298 6.607 1.00 0.00 H new TER 2467 GLY A 153 HETATM 2468 FE HEM A 154 -3.776 5.366 -3.002 1.00 0.00 FE HETATM 2469 CHA HEM A 154 -5.625 6.515 -5.673 1.00 0.00 C HETATM 2470 CHB HEM A 154 -1.489 3.940 -5.165 1.00 0.00 C HETATM 2471 CHC HEM A 154 -2.084 4.036 -0.356 1.00 0.00 C HETATM 2472 CHD HEM A 154 -6.210 6.476 -0.870 1.00 0.00 C HETATM 2473 NA HEM A 154 -3.637 5.178 -5.019 1.00 0.00 N HETATM 2474 C1A HEM A 154 -4.449 5.801 -5.959 1.00 0.00 C HETATM 2475 C2A HEM A 154 -3.878 5.625 -7.284 1.00 0.00 C HETATM 2476 C3A HEM A 154 -2.751 4.874 -7.140 1.00 0.00 C HETATM 2477 C4A HEM A 154 -2.593 4.596 -5.729 1.00 0.00 C HETATM 2478 CMA HEM A 154 -1.746 4.497 -8.197 1.00 0.00 C HETATM 2479 CAA HEM A 154 -4.413 6.252 -8.553 1.00 0.00 C HETATM 2480 CBA HEM A 154 -3.856 7.653 -8.841 1.00 0.00 C HETATM 2481 CGA HEM A 154 -4.301 8.679 -7.806 1.00 0.00 C HETATM 2482 O1A HEM A 154 -3.555 8.844 -6.819 1.00 0.00 O HETATM 2483 O2A HEM A 154 -5.500 9.024 -7.841 1.00 0.00 O HETATM 2484 NB HEM A 154 -2.074 4.278 -2.801 1.00 0.00 N HETATM 2485 C1B HEM A 154 -1.240 3.800 -3.800 1.00 0.00 C HETATM 2486 C2B HEM A 154 -0.118 3.088 -3.205 1.00 0.00 C HETATM 2487 C3B HEM A 154 -0.369 3.007 -1.872 1.00 0.00 C HETATM 2488 C4B HEM A 154 -1.558 3.790 -1.620 1.00 0.00 C HETATM 2489 CMB HEM A 154 1.071 2.544 -3.948 1.00 0.00 C HETATM 2490 CAB HEM A 154 0.469 2.361 -0.803 1.00 0.00 C HETATM 2491 CBB HEM A 154 0.740 1.050 -0.847 1.00 0.00 C HETATM 2492 NC HEM A 154 -3.982 5.450 -0.990 1.00 0.00 N HETATM 2493 C1C HEM A 154 -3.174 4.847 -0.049 1.00 0.00 C HETATM 2494 C2C HEM A 154 -3.714 5.056 1.280 1.00 0.00 C HETATM 2495 C3C HEM A 154 -4.933 5.636 1.124 1.00 0.00 C HETATM 2496 C4C HEM A 154 -5.104 5.859 -0.296 1.00 0.00 C HETATM 2497 CMC HEM A 154 -3.037 4.653 2.563 1.00 0.00 C HETATM 2498 CAC HEM A 154 -5.943 6.049 2.171 1.00 0.00 C HETATM 2499 CBC HEM A 154 -6.022 5.473 3.377 1.00 0.00 C HETATM 2500 ND HEM A 154 -5.486 6.434 -3.224 1.00 0.00 N HETATM 2501 C1D HEM A 154 -6.348 6.801 -2.214 1.00 0.00 C HETATM 2502 C2D HEM A 154 -7.429 7.588 -2.735 1.00 0.00 C HETATM 2503 C3D HEM A 154 -7.387 7.482 -4.088 1.00 0.00 C HETATM 2504 C4D HEM A 154 -6.140 6.773 -4.400 1.00 0.00 C HETATM 2505 CMD HEM A 154 -8.403 8.337 -1.868 1.00 0.00 C HETATM 2506 CAD HEM A 154 -8.386 8.060 -5.073 1.00 0.00 C HETATM 2507 CBD HEM A 154 -9.689 7.253 -5.247 1.00 0.00 C HETATM 2508 CGD HEM A 154 -10.793 7.590 -4.240 1.00 0.00 C HETATM 2509 O1D HEM A 154 -11.605 6.675 -3.981 1.00 0.00 O HETATM 2510 O2D HEM A 154 -11.059 8.800 -4.070 1.00 0.00 O HETATM 0 HMA1 HEM A 154 -2.261 4.313 -9.140 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -1.217 3.595 -7.890 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -1.032 5.310 -8.327 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 1.944 2.553 -3.295 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 1.267 3.162 -4.824 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 0.866 1.521 -4.264 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 -3.329 5.338 3.359 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 -1.956 4.690 2.431 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 -3.336 3.639 2.829 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -8.755 9.223 -2.397 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -7.910 8.639 -0.944 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -9.251 7.693 -1.634 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.348 0.593 -0.067 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.352 0.440 -1.663 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 -6.770 5.811 4.094 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 -5.338 4.667 3.642 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -4.182 7.974 -9.830 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -2.767 7.611 -8.862 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -5.499 6.311 -8.487 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -4.180 5.600 -9.394 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -9.456 6.191 -5.167 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -10.072 7.420 -6.254 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -7.902 8.149 -6.045 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -8.644 9.069 -4.752 1.00 0.00 H new HETATM 0 HHA HEM A 154 -6.182 6.900 -6.515 1.00 0.00 H new HETATM 0 HHB HEM A 154 -0.771 3.507 -5.845 1.00 0.00 H new HETATM 0 HHC HEM A 154 -1.596 3.547 0.474 1.00 0.00 H new HETATM 0 HHD HEM A 154 -7.032 6.724 -0.215 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.860 2.966 0.016 1.00 0.00 H new HETATM 0 HAC HEM A 154 -6.639 6.853 1.933 1.00 0.00 H new HETATM 2541 C CMO A 155 -4.746 3.930 -2.839 1.00 0.00 C HETATM 2542 O CMO A 155 -5.380 3.023 -2.664 1.00 0.00 O