USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 41 TYR OH : rot -147:sc= 0.635 USER MOD Set 1.2: B 74 HIS : no HD1:sc= 0.502 K(o=1.1,f=-0.98) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-6.8!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ -179:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 61 GLN : amide:sc= 0.247 K(o=1.3,f=-7!) USER MOD Set 4.1: A 14 THR OG1 : rot -22:sc= 0.885 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.127 USER MOD Single : A 21 SER OG : rot 67:sc= 0.917 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 3.31 (180deg=3.21) USER MOD Single : A 24 MET CE :methyl 166:sc= -1.32 (180deg=-1.78) USER MOD Single : A 25 GLN : amide:sc= 1.05 K(o=1.1,f=-0.21) USER MOD Single : A 26 GLN : amide:sc= -0.311 K(o=-0.31,f=-5.1!) USER MOD Single : A 28 THR OG1 : rot 85:sc= 0.856 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -173:sc= 1.24 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= -0.875! (180deg=-1.22!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 45 MET CE :methyl -113:sc= -0.99 (180deg=-1.43) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00482 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 1.54 (180deg=1.22) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 76:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 2.21 (180deg=2.09) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 76 ASN : amide:sc= 1.21 K(o=1.2,f=-0.016) USER MOD Single : A 77 THR OG1 : rot 33:sc= 0.296 USER MOD Single : B 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot -82:sc= 1.38 USER MOD Single : B 47 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : B 48 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.2!) USER MOD Single : B 57 SER OG : rot 63:sc= 1.13 USER MOD Single : B 60 THR OG1 : rot -93:sc= 1.56 USER MOD Single : B 70 GLN : amide:sc= 1.16 K(o=1.2,f=-0.73) USER MOD Single : B 75 LYS NZ :NH3+ 156:sc= 1.31 (180deg=1.11) USER MOD Single : B 81 THR OG1 : rot 86:sc= 0.345 USER MOD Single : B 83 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.91) USER MOD Single : B 85 SER OG : rot 86:sc= 2.25 USER MOD Single : B 86 LYS NZ :NH3+ -135:sc= 1.01 (180deg=-1.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.371 -7.594 8.087 1.00 0.00 N ATOM 2 CA THR A 14 -14.991 -6.255 8.030 1.00 0.00 C ATOM 3 C THR A 14 -14.087 -5.261 7.299 1.00 0.00 C ATOM 4 O THR A 14 -12.951 -5.588 6.946 1.00 0.00 O ATOM 5 CB THR A 14 -15.288 -5.740 9.449 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.395 -6.362 10.380 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.730 -6.037 9.840 1.00 0.00 C ATOM 0 HA THR A 14 -15.926 -6.344 7.478 1.00 0.00 H new ATOM 0 HB THR A 14 -15.142 -4.660 9.466 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.052 -7.196 9.997 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.918 -5.664 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.405 -5.546 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.900 -7.113 9.814 1.00 0.00 H new ATOM 15 N VAL A 15 -14.601 -4.048 7.085 1.00 0.00 N ATOM 16 CA VAL A 15 -13.865 -2.997 6.379 1.00 0.00 C ATOM 17 C VAL A 15 -12.527 -2.691 7.056 1.00 0.00 C ATOM 18 O VAL A 15 -11.512 -2.497 6.385 1.00 0.00 O ATOM 19 CB VAL A 15 -14.691 -1.693 6.283 1.00 0.00 C ATOM 20 CG1 VAL A 15 -13.992 -0.671 5.396 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.094 -1.975 5.763 1.00 0.00 C ATOM 0 H VAL A 15 -15.532 -3.768 7.394 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.676 -3.376 5.375 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.774 -1.277 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.593 0.237 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.013 -0.436 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.869 -1.082 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.655 -1.042 5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.031 -2.423 4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.602 -2.662 6.440 1.00 0.00 H new ATOM 31 N SER A 16 -12.533 -2.674 8.382 1.00 0.00 N ATOM 32 CA SER A 16 -11.336 -2.384 9.163 1.00 0.00 C ATOM 33 C SER A 16 -10.195 -3.346 8.831 1.00 0.00 C ATOM 34 O SER A 16 -9.063 -2.924 8.601 1.00 0.00 O ATOM 35 CB SER A 16 -11.682 -2.473 10.646 1.00 0.00 C ATOM 36 OG SER A 16 -13.009 -2.951 10.818 1.00 0.00 O ATOM 0 H SER A 16 -13.363 -2.860 8.945 1.00 0.00 H new ATOM 0 HA SER A 16 -10.994 -1.379 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.981 -3.138 11.150 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.579 -1.492 11.109 1.00 0.00 H new ATOM 0 HG SER A 16 -13.216 -3.004 11.774 1.00 0.00 H new ATOM 42 N GLU A 17 -10.510 -4.634 8.789 1.00 0.00 N ATOM 43 CA GLU A 17 -9.517 -5.663 8.495 1.00 0.00 C ATOM 44 C GLU A 17 -8.966 -5.503 7.083 1.00 0.00 C ATOM 45 O GLU A 17 -7.773 -5.700 6.842 1.00 0.00 O ATOM 46 CB GLU A 17 -10.142 -7.046 8.648 1.00 0.00 C ATOM 47 CG GLU A 17 -10.779 -7.281 10.007 1.00 0.00 C ATOM 48 CD GLU A 17 -11.412 -8.649 10.110 1.00 0.00 C ATOM 49 OE1 GLU A 17 -10.703 -9.608 10.486 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.612 -8.781 9.797 1.00 0.00 O ATOM 0 H GLU A 17 -11.450 -4.994 8.956 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.694 -5.554 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.898 -7.181 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.375 -7.802 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.023 -7.173 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.535 -6.518 10.189 1.00 0.00 H new ATOM 57 N TRP A 18 -9.837 -5.109 6.166 1.00 0.00 N ATOM 58 CA TRP A 18 -9.461 -4.924 4.772 1.00 0.00 C ATOM 59 C TRP A 18 -8.505 -3.742 4.636 1.00 0.00 C ATOM 60 O TRP A 18 -7.481 -3.824 3.956 1.00 0.00 O ATOM 61 CB TRP A 18 -10.721 -4.696 3.932 1.00 0.00 C ATOM 62 CG TRP A 18 -10.457 -4.506 2.471 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.089 -5.463 1.571 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.550 -3.279 1.739 1.00 0.00 C ATOM 65 NE1 TRP A 18 -9.949 -4.907 0.324 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.223 -3.566 0.402 1.00 0.00 C ATOM 67 CE3 TRP A 18 -10.878 -1.965 2.086 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.215 -2.588 -0.588 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -10.869 -0.996 1.103 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.539 -1.311 -0.219 1.00 0.00 C ATOM 0 H TRP A 18 -10.817 -4.910 6.365 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.951 -5.818 4.413 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.390 -5.547 4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.244 -3.819 4.313 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.931 -6.505 1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.684 -5.410 -0.523 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.134 -1.713 3.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.962 -2.828 -1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.121 0.022 1.359 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.540 -0.530 -0.965 1.00 0.00 H new ATOM 81 N LEU A 19 -8.841 -2.653 5.312 1.00 0.00 N ATOM 82 CA LEU A 19 -8.026 -1.449 5.282 1.00 0.00 C ATOM 83 C LEU A 19 -6.705 -1.647 6.028 1.00 0.00 C ATOM 84 O LEU A 19 -5.723 -0.969 5.732 1.00 0.00 O ATOM 85 CB LEU A 19 -8.789 -0.270 5.881 1.00 0.00 C ATOM 86 CG LEU A 19 -9.856 0.336 4.970 1.00 0.00 C ATOM 87 CD1 LEU A 19 -10.740 1.289 5.749 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.210 1.054 3.795 1.00 0.00 C ATOM 0 H LEU A 19 -9.678 -2.579 5.891 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.798 -1.234 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.264 -0.596 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.074 0.509 6.147 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.475 -0.473 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.494 1.711 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.231 0.750 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.132 2.092 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.985 1.479 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.567 1.852 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.614 0.346 3.219 1.00 0.00 H new ATOM 100 N GLU A 20 -6.663 -2.614 6.942 1.00 0.00 N ATOM 101 CA GLU A 20 -5.462 -2.867 7.714 1.00 0.00 C ATOM 102 C GLU A 20 -4.500 -3.694 6.873 1.00 0.00 C ATOM 103 O GLU A 20 -3.293 -3.499 6.929 1.00 0.00 O ATOM 104 CB GLU A 20 -5.813 -3.596 9.019 1.00 0.00 C ATOM 105 CG GLU A 20 -4.621 -4.249 9.711 1.00 0.00 C ATOM 106 CD GLU A 20 -3.637 -3.246 10.289 1.00 0.00 C ATOM 107 OE1 GLU A 20 -3.806 -2.032 10.057 1.00 0.00 O ATOM 108 OE2 GLU A 20 -2.682 -3.675 10.975 1.00 0.00 O ATOM 0 H GLU A 20 -7.446 -3.230 7.161 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.986 -1.922 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.273 -2.886 9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.559 -4.362 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.983 -4.894 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.101 -4.888 8.997 1.00 0.00 H new ATOM 115 N SER A 21 -5.056 -4.609 6.073 1.00 0.00 N ATOM 116 CA SER A 21 -4.258 -5.476 5.211 1.00 0.00 C ATOM 117 C SER A 21 -3.317 -4.679 4.305 1.00 0.00 C ATOM 118 O SER A 21 -2.223 -5.137 3.986 1.00 0.00 O ATOM 119 CB SER A 21 -5.179 -6.348 4.358 1.00 0.00 C ATOM 120 OG SER A 21 -6.111 -7.047 5.167 1.00 0.00 O ATOM 0 H SER A 21 -6.062 -4.766 6.007 1.00 0.00 H new ATOM 0 HA SER A 21 -3.642 -6.103 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.711 -5.726 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.584 -7.059 3.785 1.00 0.00 H new ATOM 0 HG SER A 21 -6.727 -6.408 5.583 1.00 0.00 H new ATOM 126 N ILE A 22 -3.749 -3.490 3.909 1.00 0.00 N ATOM 127 CA ILE A 22 -2.951 -2.631 3.040 1.00 0.00 C ATOM 128 C ILE A 22 -2.355 -1.464 3.815 1.00 0.00 C ATOM 129 O ILE A 22 -1.655 -0.629 3.249 1.00 0.00 O ATOM 130 CB ILE A 22 -3.784 -2.090 1.865 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.223 -1.817 2.320 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.748 -3.075 0.704 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.118 -1.275 1.228 1.00 0.00 C ATOM 0 H ILE A 22 -4.651 -3.096 4.176 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.142 -3.246 2.644 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.355 -1.148 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.654 -2.742 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.204 -1.107 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.340 -2.684 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.717 -3.216 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.161 -4.031 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.118 -1.108 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.712 -0.333 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.169 -1.993 0.410 1.00 0.00 H new ATOM 145 N LYS A 23 -2.654 -1.420 5.114 1.00 0.00 N ATOM 146 CA LYS A 23 -2.160 -0.374 6.014 1.00 0.00 C ATOM 147 C LYS A 23 -2.686 1.010 5.641 1.00 0.00 C ATOM 148 O LYS A 23 -1.953 1.999 5.636 1.00 0.00 O ATOM 149 CB LYS A 23 -0.631 -0.392 6.076 1.00 0.00 C ATOM 150 CG LYS A 23 -0.090 -1.647 6.743 1.00 0.00 C ATOM 151 CD LYS A 23 -0.606 -1.787 8.170 1.00 0.00 C ATOM 152 CE LYS A 23 -0.141 -3.084 8.806 1.00 0.00 C ATOM 153 NZ LYS A 23 -0.169 -3.006 10.290 1.00 0.00 N ATOM 0 H LYS A 23 -3.247 -2.110 5.574 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.546 -0.594 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.229 -0.319 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.282 0.485 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.380 -2.523 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.000 -1.616 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.260 -0.943 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.695 -1.751 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.778 -3.903 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.871 -3.311 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.122 -3.920 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.484 -2.263 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.133 -2.780 10.608 1.00 0.00 H new ATOM 167 N MET A 24 -3.979 1.063 5.357 1.00 0.00 N ATOM 168 CA MET A 24 -4.660 2.305 5.015 1.00 0.00 C ATOM 169 C MET A 24 -5.778 2.526 6.022 1.00 0.00 C ATOM 170 O MET A 24 -6.752 3.230 5.759 1.00 0.00 O ATOM 171 CB MET A 24 -5.248 2.228 3.601 1.00 0.00 C ATOM 172 CG MET A 24 -4.237 1.838 2.539 1.00 0.00 C ATOM 173 SD MET A 24 -3.141 3.192 2.084 1.00 0.00 S ATOM 174 CE MET A 24 -1.892 2.296 1.166 1.00 0.00 C ATOM 0 H MET A 24 -4.588 0.245 5.357 1.00 0.00 H new ATOM 0 HA MET A 24 -3.949 3.131 5.043 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.064 1.505 3.596 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.678 3.196 3.343 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.641 1.001 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.766 1.491 1.651 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.277 3.000 0.606 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.264 1.735 1.858 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.374 1.606 0.474 1.00 0.00 H new ATOM 184 N GLN A 25 -5.602 1.920 7.188 1.00 0.00 N ATOM 185 CA GLN A 25 -6.589 1.972 8.260 1.00 0.00 C ATOM 186 C GLN A 25 -6.924 3.389 8.728 1.00 0.00 C ATOM 187 O GLN A 25 -7.998 3.612 9.285 1.00 0.00 O ATOM 188 CB GLN A 25 -6.138 1.126 9.450 1.00 0.00 C ATOM 189 CG GLN A 25 -4.790 1.529 10.016 1.00 0.00 C ATOM 190 CD GLN A 25 -4.653 1.178 11.483 1.00 0.00 C ATOM 191 OE1 GLN A 25 -4.947 1.991 12.358 1.00 0.00 O ATOM 192 NE2 GLN A 25 -4.221 -0.037 11.766 1.00 0.00 N ATOM 0 H GLN A 25 -4.770 1.377 7.419 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.505 1.562 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.888 1.197 10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.095 0.081 9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.999 1.035 9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.651 2.602 9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.987 -0.683 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.121 -0.329 12.738 1.00 0.00 H new ATOM 201 N GLN A 26 -6.041 4.359 8.520 1.00 0.00 N ATOM 202 CA GLN A 26 -6.337 5.724 8.947 1.00 0.00 C ATOM 203 C GLN A 26 -7.194 6.460 7.915 1.00 0.00 C ATOM 204 O GLN A 26 -7.566 7.613 8.113 1.00 0.00 O ATOM 205 CB GLN A 26 -5.050 6.508 9.242 1.00 0.00 C ATOM 206 CG GLN A 26 -3.958 6.399 8.176 1.00 0.00 C ATOM 207 CD GLN A 26 -2.894 5.364 8.519 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.196 4.313 9.078 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.636 5.663 8.202 1.00 0.00 N ATOM 0 H GLN A 26 -5.135 4.233 8.069 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.911 5.656 9.871 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.306 7.560 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.643 6.162 10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.415 6.140 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.483 7.372 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.423 6.546 7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.885 5.009 8.423 1.00 0.00 H new ATOM 218 N TYR A 27 -7.525 5.783 6.825 1.00 0.00 N ATOM 219 CA TYR A 27 -8.351 6.383 5.786 1.00 0.00 C ATOM 220 C TYR A 27 -9.815 5.968 5.951 1.00 0.00 C ATOM 221 O TYR A 27 -10.672 6.349 5.151 1.00 0.00 O ATOM 222 CB TYR A 27 -7.826 6.007 4.396 1.00 0.00 C ATOM 223 CG TYR A 27 -6.536 6.717 4.019 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.547 8.045 3.603 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.309 6.062 4.079 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.377 8.697 3.256 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.134 6.710 3.734 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.176 8.026 3.324 1.00 0.00 C ATOM 229 OH TYR A 27 -3.011 8.676 2.981 1.00 0.00 O ATOM 0 H TYR A 27 -7.236 4.823 6.637 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.296 7.467 5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.662 4.930 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.589 6.240 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.486 8.576 3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.272 5.031 4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.405 9.727 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.190 6.187 3.786 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.252 8.064 3.084 1.00 0.00 H new ATOM 239 N THR A 28 -10.094 5.206 7.007 1.00 0.00 N ATOM 240 CA THR A 28 -11.454 4.747 7.296 1.00 0.00 C ATOM 241 C THR A 28 -12.364 5.934 7.586 1.00 0.00 C ATOM 242 O THR A 28 -13.560 5.916 7.281 1.00 0.00 O ATOM 243 CB THR A 28 -11.480 3.794 8.506 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.440 2.824 8.377 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.826 3.089 8.628 1.00 0.00 C ATOM 0 H THR A 28 -9.395 4.892 7.680 1.00 0.00 H new ATOM 0 HA THR A 28 -11.810 4.211 6.416 1.00 0.00 H new ATOM 0 HB THR A 28 -11.324 4.387 9.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.602 3.194 8.726 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.811 2.424 9.491 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.615 3.830 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.015 2.508 7.726 1.00 0.00 H new ATOM 253 N GLU A 29 -11.771 6.977 8.148 1.00 0.00 N ATOM 254 CA GLU A 29 -12.484 8.198 8.496 1.00 0.00 C ATOM 255 C GLU A 29 -12.950 8.958 7.263 1.00 0.00 C ATOM 256 O GLU A 29 -13.557 10.021 7.384 1.00 0.00 O ATOM 257 CB GLU A 29 -11.595 9.107 9.341 1.00 0.00 C ATOM 258 CG GLU A 29 -11.730 8.887 10.839 1.00 0.00 C ATOM 259 CD GLU A 29 -11.402 7.471 11.262 1.00 0.00 C ATOM 260 OE1 GLU A 29 -10.534 6.841 10.625 1.00 0.00 O ATOM 261 OE2 GLU A 29 -12.001 6.987 12.246 1.00 0.00 O ATOM 0 H GLU A 29 -10.777 7.001 8.377 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.365 7.903 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.555 8.950 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.835 10.146 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.070 9.579 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.749 9.125 11.145 1.00 0.00 H new ATOM 268 N HIS A 30 -12.736 8.400 6.074 1.00 0.00 N ATOM 269 CA HIS A 30 -13.143 9.047 4.848 1.00 0.00 C ATOM 270 C HIS A 30 -14.127 8.113 4.145 1.00 0.00 C ATOM 271 O HIS A 30 -15.165 8.538 3.639 1.00 0.00 O ATOM 272 CB HIS A 30 -11.952 9.307 3.940 1.00 0.00 C ATOM 273 CG HIS A 30 -11.146 10.500 4.345 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.898 10.430 4.923 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.443 11.819 4.254 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.487 11.682 5.164 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.389 12.562 4.774 1.00 0.00 N ATOM 0 H HIS A 30 -12.280 7.497 5.943 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.600 10.010 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.308 8.427 3.936 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.307 9.447 2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.354 12.228 3.843 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.541 11.937 5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.326 13.578 4.840 1.00 0.00 H new ATOM 285 N PHE A 31 -13.786 6.818 4.127 1.00 0.00 N ATOM 286 CA PHE A 31 -14.638 5.789 3.518 1.00 0.00 C ATOM 287 C PHE A 31 -16.033 5.831 4.133 1.00 0.00 C ATOM 288 O PHE A 31 -17.047 5.847 3.432 1.00 0.00 O ATOM 289 CB PHE A 31 -14.050 4.394 3.762 1.00 0.00 C ATOM 290 CG PHE A 31 -12.925 3.994 2.850 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.659 4.535 2.997 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.132 3.044 1.866 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.620 4.137 2.178 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.100 2.644 1.041 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.842 3.190 1.198 1.00 0.00 C ATOM 0 H PHE A 31 -12.921 6.457 4.530 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.692 5.988 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.694 4.344 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.850 3.660 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.482 5.277 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.113 2.610 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.637 4.565 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.277 1.905 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.033 2.877 0.555 1.00 0.00 H new ATOM 305 N MET A 32 -16.057 5.896 5.455 1.00 0.00 N ATOM 306 CA MET A 32 -17.299 5.916 6.214 1.00 0.00 C ATOM 307 C MET A 32 -18.111 7.172 5.916 1.00 0.00 C ATOM 308 O MET A 32 -19.331 7.108 5.781 1.00 0.00 O ATOM 309 CB MET A 32 -17.001 5.832 7.714 1.00 0.00 C ATOM 310 CG MET A 32 -16.351 4.524 8.147 1.00 0.00 C ATOM 311 SD MET A 32 -17.498 3.132 8.147 1.00 0.00 S ATOM 312 CE MET A 32 -16.425 1.815 8.719 1.00 0.00 C ATOM 0 H MET A 32 -15.217 5.936 6.032 1.00 0.00 H new ATOM 0 HA MET A 32 -17.890 5.051 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.347 6.659 7.990 1.00 0.00 H new ATOM 0 HB3 MET A 32 -17.932 5.963 8.266 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.518 4.301 7.481 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.935 4.645 9.147 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.989 0.884 8.773 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.593 1.696 8.025 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.039 2.063 9.708 1.00 0.00 H new ATOM 322 N ALA A 33 -17.432 8.308 5.789 1.00 0.00 N ATOM 323 CA ALA A 33 -18.099 9.579 5.524 1.00 0.00 C ATOM 324 C ALA A 33 -18.617 9.658 4.089 1.00 0.00 C ATOM 325 O ALA A 33 -19.561 10.396 3.800 1.00 0.00 O ATOM 326 CB ALA A 33 -17.141 10.727 5.800 1.00 0.00 C ATOM 0 H ALA A 33 -16.417 8.375 5.866 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.960 9.653 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.642 11.675 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.826 10.695 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.268 10.636 5.154 1.00 0.00 H new ATOM 332 N ALA A 34 -17.996 8.903 3.190 1.00 0.00 N ATOM 333 CA ALA A 34 -18.402 8.892 1.791 1.00 0.00 C ATOM 334 C ALA A 34 -19.618 7.994 1.580 1.00 0.00 C ATOM 335 O ALA A 34 -20.223 7.992 0.510 1.00 0.00 O ATOM 336 CB ALA A 34 -17.247 8.449 0.909 1.00 0.00 C ATOM 0 H ALA A 34 -17.209 8.291 3.406 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.684 9.907 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.566 8.446 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.411 9.138 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.934 7.445 1.196 1.00 0.00 H new ATOM 342 N GLY A 35 -19.972 7.240 2.613 1.00 0.00 N ATOM 343 CA GLY A 35 -21.121 6.355 2.527 1.00 0.00 C ATOM 344 C GLY A 35 -20.745 4.889 2.492 1.00 0.00 C ATOM 345 O GLY A 35 -21.616 4.021 2.503 1.00 0.00 O ATOM 0 H GLY A 35 -19.485 7.224 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.775 6.535 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.692 6.598 1.631 1.00 0.00 H new ATOM 349 N TYR A 36 -19.454 4.599 2.459 1.00 0.00 N ATOM 350 CA TYR A 36 -18.995 3.219 2.423 1.00 0.00 C ATOM 351 C TYR A 36 -18.825 2.694 3.840 1.00 0.00 C ATOM 352 O TYR A 36 -17.711 2.575 4.351 1.00 0.00 O ATOM 353 CB TYR A 36 -17.687 3.116 1.630 1.00 0.00 C ATOM 354 CG TYR A 36 -17.787 3.733 0.252 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.547 3.128 -0.738 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.147 4.928 -0.053 1.00 0.00 C ATOM 357 CE1 TYR A 36 -18.669 3.692 -1.991 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.262 5.498 -1.309 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.026 4.873 -2.273 1.00 0.00 C ATOM 360 OH TYR A 36 -18.162 5.436 -3.521 1.00 0.00 O ATOM 0 H TYR A 36 -18.709 5.296 2.456 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.740 2.604 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.890 3.609 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.407 2.067 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.053 2.198 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.551 5.420 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.268 3.207 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.757 6.426 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.561 6.206 -3.600 1.00 0.00 H new ATOM 370 N THR A 37 -19.952 2.391 4.475 1.00 0.00 N ATOM 371 CA THR A 37 -19.964 1.901 5.838 1.00 0.00 C ATOM 372 C THR A 37 -20.106 0.381 5.894 1.00 0.00 C ATOM 373 O THR A 37 -20.181 -0.203 6.977 1.00 0.00 O ATOM 374 CB THR A 37 -21.129 2.539 6.617 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.254 2.714 5.743 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.719 3.882 7.200 1.00 0.00 C ATOM 0 H THR A 37 -20.878 2.480 4.056 1.00 0.00 H new ATOM 0 HA THR A 37 -19.011 2.176 6.290 1.00 0.00 H new ATOM 0 HB THR A 37 -21.401 1.876 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.995 3.118 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.558 4.313 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.878 3.742 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.426 4.555 6.394 1.00 0.00 H new ATOM 384 N ALA A 38 -20.114 -0.257 4.730 1.00 0.00 N ATOM 385 CA ALA A 38 -20.258 -1.702 4.656 1.00 0.00 C ATOM 386 C ALA A 38 -19.603 -2.250 3.393 1.00 0.00 C ATOM 387 O ALA A 38 -19.352 -1.507 2.440 1.00 0.00 O ATOM 388 CB ALA A 38 -21.726 -2.100 4.729 1.00 0.00 C ATOM 0 H ALA A 38 -20.022 0.205 3.825 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.747 -2.140 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.812 -3.185 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -22.151 -1.751 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.267 -1.649 3.897 1.00 0.00 H new ATOM 394 N ILE A 39 -19.331 -3.549 3.405 1.00 0.00 N ATOM 395 CA ILE A 39 -18.661 -4.235 2.298 1.00 0.00 C ATOM 396 C ILE A 39 -19.358 -4.046 0.948 1.00 0.00 C ATOM 397 O ILE A 39 -18.691 -3.783 -0.054 1.00 0.00 O ATOM 398 CB ILE A 39 -18.527 -5.748 2.588 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.758 -5.978 3.895 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.840 -6.464 1.431 1.00 0.00 C ATOM 401 CD1 ILE A 39 -16.337 -5.449 3.877 1.00 0.00 C ATOM 0 H ILE A 39 -19.568 -4.162 4.185 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.676 -3.774 2.225 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.529 -6.163 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.301 -5.503 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.734 -7.047 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.757 -7.527 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.427 -6.332 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.844 -6.046 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.862 -5.651 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.775 -5.942 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.351 -4.374 3.698 1.00 0.00 H new ATOM 413 N GLU A 40 -20.685 -4.160 0.910 1.00 0.00 N ATOM 414 CA GLU A 40 -21.417 -4.027 -0.353 1.00 0.00 C ATOM 415 C GLU A 40 -21.184 -2.660 -0.991 1.00 0.00 C ATOM 416 O GLU A 40 -21.026 -2.554 -2.203 1.00 0.00 O ATOM 417 CB GLU A 40 -22.926 -4.297 -0.187 1.00 0.00 C ATOM 418 CG GLU A 40 -23.418 -4.360 1.254 1.00 0.00 C ATOM 419 CD GLU A 40 -23.716 -2.993 1.826 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.794 -2.163 1.896 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.879 -2.743 2.209 1.00 0.00 O ATOM 0 H GLU A 40 -21.270 -4.342 1.726 1.00 0.00 H new ATOM 0 HA GLU A 40 -21.021 -4.791 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.478 -3.516 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -23.167 -5.240 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -24.318 -4.973 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.665 -4.851 1.870 1.00 0.00 H new ATOM 428 N LYS A 41 -21.159 -1.619 -0.178 1.00 0.00 N ATOM 429 CA LYS A 41 -20.915 -0.275 -0.681 1.00 0.00 C ATOM 430 C LYS A 41 -19.468 -0.143 -1.152 1.00 0.00 C ATOM 431 O LYS A 41 -19.193 0.480 -2.180 1.00 0.00 O ATOM 432 CB LYS A 41 -21.227 0.763 0.398 1.00 0.00 C ATOM 433 CG LYS A 41 -22.713 1.010 0.578 1.00 0.00 C ATOM 434 CD LYS A 41 -23.114 0.981 2.043 1.00 0.00 C ATOM 435 CE LYS A 41 -24.624 0.950 2.196 1.00 0.00 C ATOM 436 NZ LYS A 41 -25.239 -0.156 1.413 1.00 0.00 N ATOM 0 H LYS A 41 -21.304 -1.676 0.830 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.574 -0.094 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.803 0.431 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.738 1.703 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.976 1.976 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.276 0.254 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.679 0.106 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.712 1.858 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.880 0.835 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.042 1.902 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -26.273 -0.122 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.988 -0.052 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.886 -1.069 1.765 1.00 0.00 H new ATOM 450 N VAL A 42 -18.556 -0.760 -0.409 1.00 0.00 N ATOM 451 CA VAL A 42 -17.134 -0.723 -0.733 1.00 0.00 C ATOM 452 C VAL A 42 -16.861 -1.353 -2.100 1.00 0.00 C ATOM 453 O VAL A 42 -15.993 -0.897 -2.839 1.00 0.00 O ATOM 454 CB VAL A 42 -16.292 -1.441 0.349 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.831 -1.558 -0.068 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.398 -0.710 1.680 1.00 0.00 C ATOM 0 H VAL A 42 -18.779 -1.297 0.429 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.840 0.326 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.693 -2.448 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.269 -2.067 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.762 -2.129 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.416 -0.562 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.800 -1.229 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.031 0.310 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.440 -0.687 2.000 1.00 0.00 H new ATOM 466 N VAL A 43 -17.607 -2.397 -2.449 1.00 0.00 N ATOM 467 CA VAL A 43 -17.408 -3.055 -3.738 1.00 0.00 C ATOM 468 C VAL A 43 -18.133 -2.325 -4.871 1.00 0.00 C ATOM 469 O VAL A 43 -17.882 -2.592 -6.048 1.00 0.00 O ATOM 470 CB VAL A 43 -17.841 -4.537 -3.711 1.00 0.00 C ATOM 471 CG1 VAL A 43 -17.108 -5.279 -2.605 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.347 -4.682 -3.545 1.00 0.00 C ATOM 0 H VAL A 43 -18.343 -2.801 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.336 -3.016 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.575 -4.978 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.422 -6.323 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -16.034 -5.225 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.342 -4.822 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.611 -5.739 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.656 -4.218 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.854 -4.193 -4.377 1.00 0.00 H new ATOM 482 N GLN A 44 -19.010 -1.399 -4.514 1.00 0.00 N ATOM 483 CA GLN A 44 -19.757 -0.633 -5.502 1.00 0.00 C ATOM 484 C GLN A 44 -18.928 0.535 -6.025 1.00 0.00 C ATOM 485 O GLN A 44 -19.109 0.970 -7.162 1.00 0.00 O ATOM 486 CB GLN A 44 -21.063 -0.118 -4.898 1.00 0.00 C ATOM 487 CG GLN A 44 -22.133 -1.188 -4.758 1.00 0.00 C ATOM 488 CD GLN A 44 -23.352 -0.697 -4.005 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.692 0.486 -4.055 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.017 -1.598 -3.299 1.00 0.00 N ATOM 0 H GLN A 44 -19.223 -1.159 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.988 -1.293 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.856 0.308 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.448 0.689 -5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.435 -1.527 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.714 -2.051 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.702 -2.568 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.844 -1.322 -2.770 1.00 0.00 H new ATOM 499 N MET A 45 -18.030 1.044 -5.181 1.00 0.00 N ATOM 500 CA MET A 45 -17.162 2.162 -5.557 1.00 0.00 C ATOM 501 C MET A 45 -16.305 1.825 -6.780 1.00 0.00 C ATOM 502 O MET A 45 -16.169 0.656 -7.165 1.00 0.00 O ATOM 503 CB MET A 45 -16.261 2.571 -4.384 1.00 0.00 C ATOM 504 CG MET A 45 -14.979 1.757 -4.264 1.00 0.00 C ATOM 505 SD MET A 45 -13.835 2.434 -3.044 1.00 0.00 S ATOM 506 CE MET A 45 -14.769 2.199 -1.535 1.00 0.00 C ATOM 0 H MET A 45 -17.884 0.700 -4.232 1.00 0.00 H new ATOM 0 HA MET A 45 -17.809 3.000 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.000 3.624 -4.492 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.826 2.476 -3.457 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.229 0.732 -3.992 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.486 1.718 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.049 3.170 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.669 1.622 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.159 1.662 -0.809 1.00 0.00 H new ATOM 516 N THR A 46 -15.688 2.846 -7.353 1.00 0.00 N ATOM 517 CA THR A 46 -14.862 2.670 -8.531 1.00 0.00 C ATOM 518 C THR A 46 -13.423 3.101 -8.238 1.00 0.00 C ATOM 519 O THR A 46 -13.130 3.595 -7.150 1.00 0.00 O ATOM 520 CB THR A 46 -15.431 3.454 -9.738 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.785 3.035 -10.947 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.259 4.957 -9.562 1.00 0.00 C ATOM 0 H THR A 46 -15.746 3.808 -7.018 1.00 0.00 H new ATOM 0 HA THR A 46 -14.865 1.612 -8.792 1.00 0.00 H new ATOM 0 HB THR A 46 -16.498 3.239 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.153 3.535 -11.705 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.670 5.474 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.784 5.281 -8.663 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.199 5.193 -9.468 1.00 0.00 H new ATOM 530 N ASN A 47 -12.535 2.898 -9.203 1.00 0.00 N ATOM 531 CA ASN A 47 -11.123 3.250 -9.046 1.00 0.00 C ATOM 532 C ASN A 47 -10.926 4.726 -8.718 1.00 0.00 C ATOM 533 O ASN A 47 -10.135 5.072 -7.840 1.00 0.00 O ATOM 534 CB ASN A 47 -10.332 2.894 -10.309 1.00 0.00 C ATOM 535 CG ASN A 47 -9.917 1.434 -10.344 1.00 0.00 C ATOM 536 OD1 ASN A 47 -10.684 0.547 -9.966 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.698 1.173 -10.795 1.00 0.00 N ATOM 0 H ASN A 47 -12.766 2.489 -10.109 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.748 2.668 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.937 3.117 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.443 3.522 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.366 0.210 -10.838 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.093 1.936 -11.099 1.00 0.00 H new ATOM 544 N ASP A 48 -11.641 5.601 -9.417 1.00 0.00 N ATOM 545 CA ASP A 48 -11.517 7.040 -9.188 1.00 0.00 C ATOM 546 C ASP A 48 -12.100 7.447 -7.838 1.00 0.00 C ATOM 547 O ASP A 48 -11.721 8.474 -7.271 1.00 0.00 O ATOM 548 CB ASP A 48 -12.205 7.824 -10.305 1.00 0.00 C ATOM 549 CG ASP A 48 -11.522 9.148 -10.578 1.00 0.00 C ATOM 550 OD1 ASP A 48 -10.496 9.150 -11.287 1.00 0.00 O ATOM 551 OD2 ASP A 48 -12.007 10.190 -10.092 1.00 0.00 O ATOM 0 H ASP A 48 -12.309 5.343 -10.143 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.453 7.277 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.211 7.226 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.245 8.003 -10.034 1.00 0.00 H new ATOM 556 N ASP A 49 -13.004 6.623 -7.317 1.00 0.00 N ATOM 557 CA ASP A 49 -13.646 6.889 -6.032 1.00 0.00 C ATOM 558 C ASP A 49 -12.612 6.946 -4.921 1.00 0.00 C ATOM 559 O ASP A 49 -12.737 7.730 -3.987 1.00 0.00 O ATOM 560 CB ASP A 49 -14.675 5.810 -5.709 1.00 0.00 C ATOM 561 CG ASP A 49 -16.087 6.347 -5.666 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.435 7.048 -4.690 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.858 6.052 -6.601 1.00 0.00 O ATOM 0 H ASP A 49 -13.310 5.761 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.150 7.853 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.614 5.019 -6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.433 5.358 -4.747 1.00 0.00 H new ATOM 568 N ILE A 50 -11.586 6.128 -5.041 1.00 0.00 N ATOM 569 CA ILE A 50 -10.489 6.075 -4.079 1.00 0.00 C ATOM 570 C ILE A 50 -9.849 7.432 -3.913 1.00 0.00 C ATOM 571 O ILE A 50 -9.366 7.796 -2.839 1.00 0.00 O ATOM 572 CB ILE A 50 -9.428 4.968 -4.475 1.00 0.00 C ATOM 573 CG1 ILE A 50 -9.943 3.498 -4.354 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.100 5.085 -3.665 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.038 2.414 -4.974 1.00 0.00 C ATOM 0 H ILE A 50 -11.484 5.472 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.904 5.789 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.243 5.176 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.081 3.268 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.924 3.437 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.412 4.301 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.647 6.060 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.312 4.977 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.494 1.434 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.918 2.606 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.062 2.434 -4.489 1.00 0.00 H new ATOM 587 N LYS A 51 -9.798 8.163 -5.009 1.00 0.00 N ATOM 588 CA LYS A 51 -9.196 9.481 -5.022 1.00 0.00 C ATOM 589 C LYS A 51 -10.211 10.508 -4.544 1.00 0.00 C ATOM 590 O LYS A 51 -9.884 11.438 -3.810 1.00 0.00 O ATOM 591 CB LYS A 51 -8.728 9.819 -6.435 1.00 0.00 C ATOM 592 CG LYS A 51 -8.192 8.613 -7.196 1.00 0.00 C ATOM 593 CD LYS A 51 -8.145 8.872 -8.690 1.00 0.00 C ATOM 594 CE LYS A 51 -7.012 9.813 -9.049 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.781 9.076 -9.439 1.00 0.00 N ATOM 0 H LYS A 51 -10.170 7.863 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.335 9.495 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.559 10.251 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.950 10.581 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.192 8.370 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.822 7.746 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.020 7.929 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.093 9.299 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.323 10.459 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.794 10.460 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.025 9.755 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.478 8.465 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.977 8.491 -10.276 1.00 0.00 H new ATOM 609 N ARG A 52 -11.452 10.306 -4.960 1.00 0.00 N ATOM 610 CA ARG A 52 -12.554 11.189 -4.600 1.00 0.00 C ATOM 611 C ARG A 52 -12.784 11.189 -3.086 1.00 0.00 C ATOM 612 O ARG A 52 -13.122 12.218 -2.500 1.00 0.00 O ATOM 613 CB ARG A 52 -13.816 10.745 -5.358 1.00 0.00 C ATOM 614 CG ARG A 52 -15.118 10.909 -4.590 1.00 0.00 C ATOM 615 CD ARG A 52 -15.639 12.332 -4.665 1.00 0.00 C ATOM 616 NE ARG A 52 -16.881 12.495 -3.910 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.415 13.677 -3.606 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.821 14.800 -3.996 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.546 13.739 -2.912 1.00 0.00 N ATOM 0 H ARG A 52 -11.725 9.525 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.308 12.212 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.884 11.315 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.705 9.697 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.866 10.226 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.962 10.633 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.885 13.016 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.809 12.603 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.367 11.654 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.953 14.759 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.233 15.703 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.007 12.881 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.953 14.645 -2.680 1.00 0.00 H new ATOM 633 N ILE A 53 -12.599 10.036 -2.459 1.00 0.00 N ATOM 634 CA ILE A 53 -12.788 9.915 -1.016 1.00 0.00 C ATOM 635 C ILE A 53 -11.598 10.471 -0.230 1.00 0.00 C ATOM 636 O ILE A 53 -11.594 10.441 0.999 1.00 0.00 O ATOM 637 CB ILE A 53 -13.049 8.454 -0.586 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.853 7.566 -0.935 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.323 7.929 -1.234 1.00 0.00 C ATOM 640 CD1 ILE A 53 -12.064 6.100 -0.624 1.00 0.00 C ATOM 0 H ILE A 53 -12.319 9.172 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.670 10.512 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.181 8.430 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.631 7.673 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.979 7.921 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.493 6.899 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.168 8.545 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.222 7.967 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.172 5.538 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.255 5.978 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.917 5.727 -1.190 1.00 0.00 H new ATOM 652 N GLY A 54 -10.587 10.970 -0.930 1.00 0.00 N ATOM 653 CA GLY A 54 -9.440 11.532 -0.247 1.00 0.00 C ATOM 654 C GLY A 54 -8.116 11.195 -0.904 1.00 0.00 C ATOM 655 O GLY A 54 -7.558 12.023 -1.623 1.00 0.00 O ATOM 0 H GLY A 54 -10.541 10.995 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.549 12.616 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.428 11.171 0.782 1.00 0.00 H new ATOM 659 N VAL A 55 -7.617 9.990 -0.613 1.00 0.00 N ATOM 660 CA VAL A 55 -6.338 9.466 -1.128 1.00 0.00 C ATOM 661 C VAL A 55 -5.928 10.026 -2.496 1.00 0.00 C ATOM 662 O VAL A 55 -6.368 9.542 -3.539 1.00 0.00 O ATOM 663 CB VAL A 55 -6.384 7.925 -1.223 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.013 7.363 -1.555 1.00 0.00 C ATOM 665 CG2 VAL A 55 -6.913 7.316 0.067 1.00 0.00 C ATOM 0 H VAL A 55 -8.098 9.333 0.001 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.588 9.796 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.067 7.660 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.070 6.276 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.678 7.763 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.306 7.645 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.936 6.230 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.262 7.596 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.921 7.685 0.257 1.00 0.00 H new ATOM 675 N ARG A 56 -5.066 11.042 -2.485 1.00 0.00 N ATOM 676 CA ARG A 56 -4.587 11.651 -3.722 1.00 0.00 C ATOM 677 C ARG A 56 -3.208 11.102 -4.102 1.00 0.00 C ATOM 678 O ARG A 56 -2.668 11.439 -5.154 1.00 0.00 O ATOM 679 CB ARG A 56 -4.539 13.181 -3.595 1.00 0.00 C ATOM 680 CG ARG A 56 -3.559 13.694 -2.548 1.00 0.00 C ATOM 681 CD ARG A 56 -2.303 14.271 -3.187 1.00 0.00 C ATOM 682 NE ARG A 56 -1.282 14.603 -2.192 1.00 0.00 N ATOM 683 CZ ARG A 56 -0.021 14.922 -2.494 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.379 14.947 -3.760 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.842 15.207 -1.526 1.00 0.00 N ATOM 0 H ARG A 56 -4.687 11.459 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.289 11.394 -4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.273 13.606 -4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.537 13.545 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.043 14.459 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.285 12.880 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.896 13.552 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.563 15.166 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.550 14.590 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.278 14.722 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.343 15.191 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.542 15.182 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.805 15.451 -1.757 1.00 0.00 H new ATOM 699 N LEU A 57 -2.649 10.261 -3.243 1.00 0.00 N ATOM 700 CA LEU A 57 -1.340 9.666 -3.506 1.00 0.00 C ATOM 701 C LEU A 57 -1.509 8.443 -4.408 1.00 0.00 C ATOM 702 O LEU A 57 -2.194 7.490 -4.038 1.00 0.00 O ATOM 703 CB LEU A 57 -0.639 9.286 -2.195 1.00 0.00 C ATOM 704 CG LEU A 57 -0.365 10.452 -1.231 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.384 9.977 0.008 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.420 11.547 -1.928 1.00 0.00 C ATOM 0 H LEU A 57 -3.076 9.975 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.712 10.398 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.249 8.545 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.309 8.806 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.327 10.855 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.564 10.823 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.212 9.228 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.337 9.540 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.604 12.363 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.372 11.146 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.151 11.919 -2.779 1.00 0.00 H new ATOM 718 N PRO A 58 -0.883 8.458 -5.603 1.00 0.00 N ATOM 719 CA PRO A 58 -0.989 7.370 -6.594 1.00 0.00 C ATOM 720 C PRO A 58 -0.652 5.988 -6.041 1.00 0.00 C ATOM 721 O PRO A 58 -1.394 5.025 -6.253 1.00 0.00 O ATOM 722 CB PRO A 58 0.021 7.763 -7.684 1.00 0.00 C ATOM 723 CG PRO A 58 0.873 8.824 -7.073 1.00 0.00 C ATOM 724 CD PRO A 58 -0.008 9.537 -6.091 1.00 0.00 C ATOM 0 HA PRO A 58 -2.016 7.275 -6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.621 6.906 -7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.487 8.132 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.742 8.391 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.248 9.510 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.568 9.989 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.577 10.338 -6.564 1.00 0.00 H new ATOM 732 N GLY A 59 0.464 5.883 -5.337 1.00 0.00 N ATOM 733 CA GLY A 59 0.863 4.609 -4.781 1.00 0.00 C ATOM 734 C GLY A 59 -0.101 4.114 -3.721 1.00 0.00 C ATOM 735 O GLY A 59 -0.375 2.916 -3.642 1.00 0.00 O ATOM 0 H GLY A 59 1.100 6.656 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.929 3.871 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.859 4.700 -4.348 1.00 0.00 H new ATOM 739 N HIS A 60 -0.627 5.036 -2.913 1.00 0.00 N ATOM 740 CA HIS A 60 -1.586 4.689 -1.864 1.00 0.00 C ATOM 741 C HIS A 60 -2.865 4.185 -2.507 1.00 0.00 C ATOM 742 O HIS A 60 -3.598 3.375 -1.939 1.00 0.00 O ATOM 743 CB HIS A 60 -1.927 5.918 -1.018 1.00 0.00 C ATOM 744 CG HIS A 60 -1.092 6.108 0.209 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.489 5.731 1.473 1.00 0.00 N ATOM 746 CD2 HIS A 60 0.117 6.700 0.359 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.536 6.105 2.333 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.461 6.698 1.708 1.00 0.00 N ATOM 0 H HIS A 60 -0.404 6.030 -2.965 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.142 3.923 -1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.830 6.806 -1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.973 5.852 -0.718 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.357 5.251 1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.718 7.108 -0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.578 5.942 3.400 1.00 0.00 H new ATOM 756 N GLN A 61 -3.098 4.667 -3.720 1.00 0.00 N ATOM 757 CA GLN A 61 -4.287 4.312 -4.481 1.00 0.00 C ATOM 758 C GLN A 61 -4.217 2.854 -4.911 1.00 0.00 C ATOM 759 O GLN A 61 -5.067 2.054 -4.530 1.00 0.00 O ATOM 760 CB GLN A 61 -4.445 5.224 -5.702 1.00 0.00 C ATOM 761 CG GLN A 61 -5.161 6.529 -5.394 1.00 0.00 C ATOM 762 CD GLN A 61 -4.839 7.629 -6.387 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.542 7.369 -7.553 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.919 8.872 -5.937 1.00 0.00 N ATOM 0 H GLN A 61 -2.472 5.312 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.159 4.449 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.459 5.447 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.996 4.690 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.237 6.355 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.887 6.860 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.168 9.047 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.731 9.654 -6.564 1.00 0.00 H new ATOM 773 N LYS A 62 -3.226 2.540 -5.751 1.00 0.00 N ATOM 774 CA LYS A 62 -2.990 1.170 -6.231 1.00 0.00 C ATOM 775 C LYS A 62 -3.237 0.110 -5.150 1.00 0.00 C ATOM 776 O LYS A 62 -3.873 -0.906 -5.416 1.00 0.00 O ATOM 777 CB LYS A 62 -1.560 1.024 -6.759 1.00 0.00 C ATOM 778 CG LYS A 62 -1.285 -0.348 -7.359 1.00 0.00 C ATOM 779 CD LYS A 62 0.178 -0.743 -7.240 1.00 0.00 C ATOM 780 CE LYS A 62 0.356 -2.253 -7.370 1.00 0.00 C ATOM 781 NZ LYS A 62 1.789 -2.657 -7.367 1.00 0.00 N ATOM 0 H LYS A 62 -2.565 3.225 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.707 1.000 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.378 1.788 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.858 1.206 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.903 -1.093 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.576 -0.348 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.757 -0.238 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.570 -0.410 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.160 -2.749 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.113 -2.593 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.873 -3.642 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.326 -2.036 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.170 -2.576 -6.403 1.00 0.00 H new ATOM 795 N ARG A 63 -2.746 0.354 -3.938 1.00 0.00 N ATOM 796 CA ARG A 63 -2.908 -0.605 -2.846 1.00 0.00 C ATOM 797 C ARG A 63 -4.389 -0.861 -2.559 1.00 0.00 C ATOM 798 O ARG A 63 -4.820 -2.008 -2.423 1.00 0.00 O ATOM 799 CB ARG A 63 -2.185 -0.117 -1.586 1.00 0.00 C ATOM 800 CG ARG A 63 -0.739 -0.595 -1.482 1.00 0.00 C ATOM 801 CD ARG A 63 0.206 0.281 -2.290 1.00 0.00 C ATOM 802 NE ARG A 63 1.177 -0.502 -3.059 1.00 0.00 N ATOM 803 CZ ARG A 63 1.804 -0.047 -4.146 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.557 1.178 -4.596 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.666 -0.815 -4.793 1.00 0.00 N ATOM 0 H ARG A 63 -2.236 1.201 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.457 -1.549 -3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.200 0.973 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.734 -0.457 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.430 -0.594 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.670 -1.624 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.374 0.904 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.738 0.954 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 63 1.386 -1.450 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.887 1.774 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.038 1.523 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.855 -1.761 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.142 -0.461 -5.623 1.00 0.00 H new ATOM 819 N ILE A 64 -5.158 0.215 -2.487 1.00 0.00 N ATOM 820 CA ILE A 64 -6.592 0.127 -2.237 1.00 0.00 C ATOM 821 C ILE A 64 -7.322 -0.453 -3.450 1.00 0.00 C ATOM 822 O ILE A 64 -8.092 -1.404 -3.325 1.00 0.00 O ATOM 823 CB ILE A 64 -7.188 1.511 -1.891 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.474 2.093 -0.670 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.688 1.408 -1.636 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.858 3.521 -0.355 1.00 0.00 C ATOM 0 H ILE A 64 -4.811 1.168 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.731 -0.537 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.038 2.178 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.692 1.469 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.398 2.045 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.085 2.394 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.183 1.026 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.870 0.730 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.309 3.860 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.614 4.159 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.928 3.575 -0.157 1.00 0.00 H new ATOM 838 N ALA A 65 -7.051 0.114 -4.622 1.00 0.00 N ATOM 839 CA ALA A 65 -7.686 -0.323 -5.868 1.00 0.00 C ATOM 840 C ALA A 65 -7.446 -1.809 -6.159 1.00 0.00 C ATOM 841 O ALA A 65 -8.348 -2.516 -6.614 1.00 0.00 O ATOM 842 CB ALA A 65 -7.190 0.531 -7.028 1.00 0.00 C ATOM 0 H ALA A 65 -6.391 0.883 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.762 -0.193 -5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.666 0.201 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.440 1.576 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.109 0.428 -7.120 1.00 0.00 H new ATOM 848 N TYR A 66 -6.229 -2.279 -5.893 1.00 0.00 N ATOM 849 CA TYR A 66 -5.873 -3.676 -6.127 1.00 0.00 C ATOM 850 C TYR A 66 -6.685 -4.588 -5.215 1.00 0.00 C ATOM 851 O TYR A 66 -7.221 -5.608 -5.647 1.00 0.00 O ATOM 852 CB TYR A 66 -4.378 -3.892 -5.883 1.00 0.00 C ATOM 853 CG TYR A 66 -3.878 -5.240 -6.340 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.907 -5.586 -7.683 1.00 0.00 C ATOM 855 CD2 TYR A 66 -3.375 -6.164 -5.433 1.00 0.00 C ATOM 856 CE1 TYR A 66 -3.449 -6.816 -8.115 1.00 0.00 C ATOM 857 CE2 TYR A 66 -2.913 -7.397 -5.856 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.952 -7.718 -7.196 1.00 0.00 C ATOM 859 OH TYR A 66 -2.496 -8.947 -7.614 1.00 0.00 O ATOM 0 H TYR A 66 -5.471 -1.711 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.100 -3.921 -7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.818 -3.112 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.173 -3.780 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.295 -4.881 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.344 -5.916 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.480 -7.070 -9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.523 -8.105 -5.140 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.179 -9.459 -6.841 1.00 0.00 H new ATOM 869 N SER A 67 -6.760 -4.205 -3.948 1.00 0.00 N ATOM 870 CA SER A 67 -7.513 -4.960 -2.955 1.00 0.00 C ATOM 871 C SER A 67 -9.021 -4.953 -3.244 1.00 0.00 C ATOM 872 O SER A 67 -9.737 -5.887 -2.875 1.00 0.00 O ATOM 873 CB SER A 67 -7.245 -4.387 -1.565 1.00 0.00 C ATOM 874 OG SER A 67 -5.850 -4.305 -1.310 1.00 0.00 O ATOM 0 H SER A 67 -6.305 -3.369 -3.581 1.00 0.00 H new ATOM 0 HA SER A 67 -7.178 -5.996 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.692 -3.396 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.720 -5.014 -0.811 1.00 0.00 H new ATOM 0 HG SER A 67 -5.471 -3.548 -1.803 1.00 0.00 H new ATOM 880 N LEU A 68 -9.504 -3.897 -3.888 1.00 0.00 N ATOM 881 CA LEU A 68 -10.913 -3.780 -4.235 1.00 0.00 C ATOM 882 C LEU A 68 -11.320 -4.885 -5.204 1.00 0.00 C ATOM 883 O LEU A 68 -12.372 -5.504 -5.035 1.00 0.00 O ATOM 884 CB LEU A 68 -11.183 -2.414 -4.855 1.00 0.00 C ATOM 885 CG LEU A 68 -11.505 -1.304 -3.857 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.498 0.044 -4.552 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.851 -1.557 -3.199 1.00 0.00 C ATOM 0 H LEU A 68 -8.934 -3.104 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.505 -3.883 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.310 -2.117 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.015 -2.507 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.739 -1.299 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.729 0.827 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.513 0.226 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.247 0.049 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.066 -0.757 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.629 -1.585 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.825 -2.511 -2.672 1.00 0.00 H new ATOM 899 N LEU A 69 -10.456 -5.153 -6.194 1.00 0.00 N ATOM 900 CA LEU A 69 -10.708 -6.193 -7.193 1.00 0.00 C ATOM 901 C LEU A 69 -11.003 -7.530 -6.514 1.00 0.00 C ATOM 902 O LEU A 69 -11.860 -8.290 -6.961 1.00 0.00 O ATOM 903 CB LEU A 69 -9.488 -6.355 -8.100 1.00 0.00 C ATOM 904 CG LEU A 69 -9.036 -5.100 -8.848 1.00 0.00 C ATOM 905 CD1 LEU A 69 -7.774 -5.392 -9.650 1.00 0.00 C ATOM 906 CD2 LEU A 69 -10.143 -4.597 -9.759 1.00 0.00 C ATOM 0 H LEU A 69 -9.573 -4.659 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.572 -5.892 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.655 -6.712 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.706 -7.132 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.812 -4.321 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.462 -4.491 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.980 -5.711 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.976 -6.184 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.805 -3.703 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.396 -5.370 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.023 -4.356 -9.163 1.00 0.00 H new ATOM 918 N GLY A 70 -10.280 -7.806 -5.426 1.00 0.00 N ATOM 919 CA GLY A 70 -10.469 -9.055 -4.702 1.00 0.00 C ATOM 920 C GLY A 70 -11.854 -9.174 -4.104 1.00 0.00 C ATOM 921 O GLY A 70 -12.500 -10.213 -4.219 1.00 0.00 O ATOM 0 H GLY A 70 -9.569 -7.188 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.295 -9.893 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.726 -9.127 -3.907 1.00 0.00 H new ATOM 925 N LEU A 71 -12.314 -8.103 -3.474 1.00 0.00 N ATOM 926 CA LEU A 71 -13.633 -8.081 -2.854 1.00 0.00 C ATOM 927 C LEU A 71 -14.728 -8.266 -3.893 1.00 0.00 C ATOM 928 O LEU A 71 -15.661 -9.044 -3.694 1.00 0.00 O ATOM 929 CB LEU A 71 -13.854 -6.761 -2.117 1.00 0.00 C ATOM 930 CG LEU A 71 -12.980 -6.539 -0.885 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.359 -5.234 -0.205 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.108 -7.707 0.084 1.00 0.00 C ATOM 0 H LEU A 71 -11.791 -7.233 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.679 -8.906 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.681 -5.942 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.899 -6.706 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.939 -6.478 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.730 -5.085 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.215 -4.406 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.405 -5.273 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.477 -7.528 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.146 -7.804 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.793 -8.626 -0.410 1.00 0.00 H new ATOM 944 N LYS A 72 -14.600 -7.548 -5.001 1.00 0.00 N ATOM 945 CA LYS A 72 -15.580 -7.615 -6.079 1.00 0.00 C ATOM 946 C LYS A 72 -15.716 -9.044 -6.617 1.00 0.00 C ATOM 947 O LYS A 72 -16.820 -9.527 -6.869 1.00 0.00 O ATOM 948 CB LYS A 72 -15.189 -6.650 -7.209 1.00 0.00 C ATOM 949 CG LYS A 72 -15.266 -5.177 -6.820 1.00 0.00 C ATOM 950 CD LYS A 72 -14.563 -4.295 -7.844 1.00 0.00 C ATOM 951 CE LYS A 72 -14.486 -2.841 -7.391 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.761 -2.110 -7.625 1.00 0.00 N ATOM 0 H LYS A 72 -13.824 -6.910 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.548 -7.316 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.173 -6.877 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.842 -6.824 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.310 -4.876 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.811 -5.033 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.556 -4.674 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.093 -4.351 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.239 -2.806 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.678 -2.339 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.617 -1.096 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.065 -2.248 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.493 -2.475 -6.983 1.00 0.00 H new ATOM 966 N ASP A 73 -14.589 -9.704 -6.786 1.00 0.00 N ATOM 967 CA ASP A 73 -14.577 -11.081 -7.293 1.00 0.00 C ATOM 968 C ASP A 73 -15.041 -12.081 -6.235 1.00 0.00 C ATOM 969 O ASP A 73 -15.831 -12.983 -6.527 1.00 0.00 O ATOM 970 CB ASP A 73 -13.185 -11.469 -7.788 1.00 0.00 C ATOM 971 CG ASP A 73 -13.102 -12.934 -8.173 1.00 0.00 C ATOM 972 OD1 ASP A 73 -13.585 -13.293 -9.267 1.00 0.00 O ATOM 973 OD2 ASP A 73 -12.562 -13.732 -7.382 1.00 0.00 O ATOM 0 H ASP A 73 -13.666 -9.320 -6.583 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.278 -11.116 -8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.922 -10.853 -8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.452 -11.258 -7.009 1.00 0.00 H new ATOM 978 N GLN A 74 -14.601 -11.882 -5.000 1.00 0.00 N ATOM 979 CA GLN A 74 -14.941 -12.792 -3.910 1.00 0.00 C ATOM 980 C GLN A 74 -16.433 -12.778 -3.606 1.00 0.00 C ATOM 981 O GLN A 74 -17.023 -13.820 -3.322 1.00 0.00 O ATOM 982 CB GLN A 74 -14.139 -12.457 -2.651 1.00 0.00 C ATOM 983 CG GLN A 74 -12.787 -13.153 -2.601 1.00 0.00 C ATOM 984 CD GLN A 74 -12.067 -12.958 -1.280 1.00 0.00 C ATOM 985 OE1 GLN A 74 -12.693 -12.772 -0.238 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.746 -13.012 -1.315 1.00 0.00 N ATOM 0 H GLN A 74 -14.008 -11.099 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.678 -13.798 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.988 -11.379 -2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.719 -12.739 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.927 -14.219 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.160 -12.775 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.265 -13.168 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.208 -12.897 -0.456 1.00 0.00 H new ATOM 995 N VAL A 75 -17.056 -11.606 -3.677 1.00 0.00 N ATOM 996 CA VAL A 75 -18.486 -11.496 -3.407 1.00 0.00 C ATOM 997 C VAL A 75 -19.304 -12.152 -4.527 1.00 0.00 C ATOM 998 O VAL A 75 -20.484 -12.457 -4.356 1.00 0.00 O ATOM 999 CB VAL A 75 -18.924 -10.022 -3.217 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -19.002 -9.288 -4.548 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.256 -9.946 -2.482 1.00 0.00 C ATOM 0 H VAL A 75 -16.599 -10.726 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.679 -12.024 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.166 -9.528 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.312 -8.257 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -18.023 -9.298 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.727 -9.783 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.545 -8.902 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -21.020 -10.468 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.158 -10.413 -1.502 1.00 0.00 H new ATOM 1011 N ASN A 76 -18.658 -12.393 -5.662 1.00 0.00 N ATOM 1012 CA ASN A 76 -19.322 -13.017 -6.799 1.00 0.00 C ATOM 1013 C ASN A 76 -18.994 -14.501 -6.862 1.00 0.00 C ATOM 1014 O ASN A 76 -19.442 -15.208 -7.764 1.00 0.00 O ATOM 1015 CB ASN A 76 -18.916 -12.339 -8.111 1.00 0.00 C ATOM 1016 CG ASN A 76 -19.763 -11.120 -8.421 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -20.848 -11.230 -8.989 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -19.272 -9.945 -8.059 1.00 0.00 N ATOM 0 H ASN A 76 -17.676 -12.166 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 76 -20.397 -12.897 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.868 -12.045 -8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -19.003 -13.055 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -19.798 -9.092 -8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -18.368 -9.893 -7.589 1.00 0.00 H new ATOM 1025 N THR A 77 -18.216 -14.970 -5.899 1.00 0.00 N ATOM 1026 CA THR A 77 -17.832 -16.368 -5.848 1.00 0.00 C ATOM 1027 C THR A 77 -18.884 -17.182 -5.097 1.00 0.00 C ATOM 1028 O THR A 77 -19.559 -16.669 -4.202 1.00 0.00 O ATOM 1029 CB THR A 77 -16.458 -16.543 -5.165 1.00 0.00 C ATOM 1030 OG1 THR A 77 -15.522 -15.591 -5.690 1.00 0.00 O ATOM 1031 CG2 THR A 77 -15.913 -17.948 -5.376 1.00 0.00 C ATOM 0 H THR A 77 -17.839 -14.400 -5.142 1.00 0.00 H new ATOM 0 HA THR A 77 -17.759 -16.730 -6.873 1.00 0.00 H new ATOM 0 HB THR A 77 -16.594 -16.378 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.994 -14.766 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.945 -18.040 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.606 -18.675 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.797 -18.137 -6.443 1.00 0.00 H new ATOM 1039 N VAL A 78 -19.036 -18.437 -5.483 1.00 0.00 N ATOM 1040 CA VAL A 78 -19.995 -19.315 -4.839 1.00 0.00 C ATOM 1041 C VAL A 78 -19.307 -20.121 -3.745 1.00 0.00 C ATOM 1042 O VAL A 78 -19.961 -20.422 -2.727 1.00 0.00 O ATOM 1043 CB VAL A 78 -20.676 -20.271 -5.843 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -21.610 -19.502 -6.763 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -19.643 -21.042 -6.654 1.00 0.00 C ATOM 1046 OXT VAL A 78 -18.109 -20.432 -3.901 1.00 0.00 O ATOM 0 H VAL A 78 -18.507 -18.870 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 78 -20.772 -18.687 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 78 -21.264 -20.992 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -22.081 -20.192 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.379 -19.007 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -21.041 -18.755 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -20.151 -21.707 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.019 -20.341 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -19.018 -21.630 -5.982 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 8.231 6.376 10.900 1.00 0.00 N ATOM 1058 CA GLY B 28 9.050 6.294 9.669 1.00 0.00 C ATOM 1059 C GLY B 28 10.008 5.123 9.700 1.00 0.00 C ATOM 1060 O GLY B 28 10.140 4.449 10.721 1.00 0.00 O ATOM 0 HA2 GLY B 28 8.394 6.203 8.803 1.00 0.00 H new ATOM 0 HA3 GLY B 28 9.613 7.219 9.546 1.00 0.00 H new ATOM 1064 N MET B 29 10.685 4.888 8.587 1.00 0.00 N ATOM 1065 CA MET B 29 11.629 3.788 8.478 1.00 0.00 C ATOM 1066 C MET B 29 12.991 4.293 8.016 1.00 0.00 C ATOM 1067 O MET B 29 13.819 3.520 7.536 1.00 0.00 O ATOM 1068 CB MET B 29 11.102 2.729 7.505 1.00 0.00 C ATOM 1069 CG MET B 29 10.820 3.269 6.113 1.00 0.00 C ATOM 1070 SD MET B 29 10.265 1.993 4.970 1.00 0.00 S ATOM 1071 CE MET B 29 9.759 3.001 3.579 1.00 0.00 C ATOM 0 H MET B 29 10.597 5.450 7.740 1.00 0.00 H new ATOM 0 HA MET B 29 11.743 3.335 9.463 1.00 0.00 H new ATOM 0 HB2 MET B 29 11.830 1.921 7.432 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.187 2.298 7.911 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.061 4.048 6.177 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.723 3.736 5.719 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.388 2.359 2.780 1.00 0.00 H new ATOM 0 HE2 MET B 29 8.969 3.684 3.893 1.00 0.00 H new ATOM 0 HE3 MET B 29 10.612 3.575 3.216 1.00 0.00 H new ATOM 1081 N SER B 30 13.216 5.595 8.160 1.00 0.00 N ATOM 1082 CA SER B 30 14.479 6.207 7.772 1.00 0.00 C ATOM 1083 C SER B 30 15.637 5.532 8.507 1.00 0.00 C ATOM 1084 O SER B 30 16.599 5.069 7.890 1.00 0.00 O ATOM 1085 CB SER B 30 14.439 7.703 8.085 1.00 0.00 C ATOM 1086 OG SER B 30 13.098 8.145 8.250 1.00 0.00 O ATOM 0 H SER B 30 12.535 6.249 8.545 1.00 0.00 H new ATOM 0 HA SER B 30 14.632 6.076 6.701 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.008 7.905 8.992 1.00 0.00 H new ATOM 0 HB3 SER B 30 14.915 8.261 7.279 1.00 0.00 H new ATOM 0 HG SER B 30 12.700 8.317 7.371 1.00 0.00 H new ATOM 1092 N ALA B 31 15.529 5.491 9.835 1.00 0.00 N ATOM 1093 CA ALA B 31 16.533 4.848 10.677 1.00 0.00 C ATOM 1094 C ALA B 31 16.733 3.387 10.275 1.00 0.00 C ATOM 1095 O ALA B 31 17.832 2.846 10.384 1.00 0.00 O ATOM 1096 CB ALA B 31 16.131 4.940 12.141 1.00 0.00 C ATOM 0 H ALA B 31 14.750 5.899 10.352 1.00 0.00 H new ATOM 0 HA ALA B 31 17.478 5.372 10.536 1.00 0.00 H new ATOM 0 HB1 ALA B 31 16.889 4.456 12.757 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.043 5.988 12.429 1.00 0.00 H new ATOM 0 HB3 ALA B 31 15.172 4.442 12.287 1.00 0.00 H new ATOM 1102 N TRP B 32 15.665 2.763 9.797 1.00 0.00 N ATOM 1103 CA TRP B 32 15.714 1.373 9.366 1.00 0.00 C ATOM 1104 C TRP B 32 16.507 1.248 8.068 1.00 0.00 C ATOM 1105 O TRP B 32 17.456 0.474 7.983 1.00 0.00 O ATOM 1106 CB TRP B 32 14.293 0.830 9.176 1.00 0.00 C ATOM 1107 CG TRP B 32 14.251 -0.531 8.552 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.587 -1.712 9.143 1.00 0.00 C ATOM 1109 CD2 TRP B 32 13.856 -0.849 7.212 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.428 -2.742 8.253 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.980 -2.241 7.062 1.00 0.00 C ATOM 1112 CE3 TRP B 32 13.410 -0.094 6.126 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.675 -2.893 5.871 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 13.106 -0.741 4.943 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.241 -2.129 4.824 1.00 0.00 C ATOM 0 H TRP B 32 14.749 3.201 9.698 1.00 0.00 H new ATOM 0 HA TRP B 32 16.214 0.785 10.135 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.795 0.792 10.145 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.728 1.524 8.554 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.928 -1.820 10.162 1.00 0.00 H new ATOM 0 HE1 TRP B 32 14.614 -3.726 8.448 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.304 0.978 6.209 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.778 -3.964 5.777 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 12.759 -0.166 4.097 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.997 -2.606 3.886 1.00 0.00 H new ATOM 1126 N LEU B 33 16.118 2.031 7.066 1.00 0.00 N ATOM 1127 CA LEU B 33 16.790 2.018 5.768 1.00 0.00 C ATOM 1128 C LEU B 33 18.278 2.338 5.907 1.00 0.00 C ATOM 1129 O LEU B 33 19.093 1.904 5.089 1.00 0.00 O ATOM 1130 CB LEU B 33 16.117 3.001 4.813 1.00 0.00 C ATOM 1131 CG LEU B 33 14.888 2.457 4.083 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.050 3.596 3.532 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.303 1.516 2.962 1.00 0.00 C ATOM 0 H LEU B 33 15.338 2.685 7.127 1.00 0.00 H new ATOM 0 HA LEU B 33 16.705 1.013 5.356 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.824 3.887 5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.849 3.322 4.071 1.00 0.00 H new ATOM 0 HG LEU B 33 14.286 1.897 4.798 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.180 3.191 3.016 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.721 4.235 4.351 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.647 4.181 2.833 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.414 1.140 2.455 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.928 2.053 2.248 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.865 0.680 3.378 1.00 0.00 H new ATOM 1145 N ARG B 34 18.624 3.128 6.927 1.00 0.00 N ATOM 1146 CA ARG B 34 20.017 3.482 7.210 1.00 0.00 C ATOM 1147 C ARG B 34 20.892 2.230 7.369 1.00 0.00 C ATOM 1148 O ARG B 34 22.104 2.282 7.157 1.00 0.00 O ATOM 1149 CB ARG B 34 20.090 4.330 8.484 1.00 0.00 C ATOM 1150 CG ARG B 34 21.479 4.871 8.783 1.00 0.00 C ATOM 1151 CD ARG B 34 21.767 6.134 7.990 1.00 0.00 C ATOM 1152 NE ARG B 34 21.266 7.328 8.668 1.00 0.00 N ATOM 1153 CZ ARG B 34 21.080 8.502 8.070 1.00 0.00 C ATOM 1154 NH1 ARG B 34 21.299 8.635 6.768 1.00 0.00 N ATOM 1155 NH2 ARG B 34 20.655 9.544 8.774 1.00 0.00 N ATOM 0 H ARG B 34 17.952 3.538 7.576 1.00 0.00 H new ATOM 0 HA ARG B 34 20.397 4.056 6.365 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.397 5.166 8.393 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.755 3.729 9.329 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.567 5.081 9.849 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.225 4.113 8.545 1.00 0.00 H new ATOM 0 HD2 ARG B 34 22.842 6.228 7.835 1.00 0.00 H new ATOM 0 HD3 ARG B 34 21.308 6.057 7.004 1.00 0.00 H new ATOM 0 HE ARG B 34 21.045 7.257 9.661 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.612 7.834 6.219 1.00 0.00 H new ATOM 0 HH12 ARG B 34 21.154 9.538 6.316 1.00 0.00 H new ATOM 0 HH21 ARG B 34 20.471 9.444 9.772 1.00 0.00 H new ATOM 0 HH22 ARG B 34 20.512 10.444 8.317 1.00 0.00 H new ATOM 1169 N ALA B 35 20.257 1.118 7.740 1.00 0.00 N ATOM 1170 CA ALA B 35 20.952 -0.160 7.918 1.00 0.00 C ATOM 1171 C ALA B 35 21.766 -0.510 6.672 1.00 0.00 C ATOM 1172 O ALA B 35 22.858 -1.065 6.764 1.00 0.00 O ATOM 1173 CB ALA B 35 19.964 -1.274 8.234 1.00 0.00 C ATOM 0 H ALA B 35 19.255 1.076 7.925 1.00 0.00 H new ATOM 0 HA ALA B 35 21.635 -0.057 8.761 1.00 0.00 H new ATOM 0 HB1 ALA B 35 20.503 -2.213 8.362 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.428 -1.035 9.153 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.253 -1.373 7.414 1.00 0.00 H new ATOM 1179 N ILE B 36 21.223 -0.169 5.509 1.00 0.00 N ATOM 1180 CA ILE B 36 21.896 -0.422 4.241 1.00 0.00 C ATOM 1181 C ILE B 36 22.125 0.890 3.502 1.00 0.00 C ATOM 1182 O ILE B 36 22.308 0.913 2.286 1.00 0.00 O ATOM 1183 CB ILE B 36 21.086 -1.382 3.345 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.626 -0.928 3.250 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.175 -2.803 3.884 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.879 -1.522 2.076 1.00 0.00 C ATOM 0 H ILE B 36 20.314 0.285 5.418 1.00 0.00 H new ATOM 0 HA ILE B 36 22.853 -0.894 4.465 1.00 0.00 H new ATOM 0 HB ILE B 36 21.511 -1.365 2.341 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.110 -1.198 4.172 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.597 0.159 3.175 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.600 -3.472 3.244 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.217 -3.122 3.898 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.772 -2.834 4.896 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.853 -1.155 2.074 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.370 -1.231 1.147 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.876 -2.609 2.159 1.00 0.00 H new ATOM 1198 N GLY B 37 22.143 1.976 4.273 1.00 0.00 N ATOM 1199 CA GLY B 37 22.337 3.311 3.728 1.00 0.00 C ATOM 1200 C GLY B 37 21.400 3.642 2.578 1.00 0.00 C ATOM 1201 O GLY B 37 21.775 4.372 1.662 1.00 0.00 O ATOM 0 H GLY B 37 22.024 1.952 5.286 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.195 4.043 4.523 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.367 3.408 3.385 1.00 0.00 H new ATOM 1205 N LEU B 38 20.178 3.125 2.627 1.00 0.00 N ATOM 1206 CA LEU B 38 19.212 3.369 1.563 1.00 0.00 C ATOM 1207 C LEU B 38 18.102 4.302 2.042 1.00 0.00 C ATOM 1208 O LEU B 38 17.053 4.419 1.407 1.00 0.00 O ATOM 1209 CB LEU B 38 18.624 2.040 1.076 1.00 0.00 C ATOM 1210 CG LEU B 38 18.154 2.029 -0.380 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.345 2.055 -1.326 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.283 0.811 -0.650 1.00 0.00 C ATOM 0 H LEU B 38 19.834 2.538 3.387 1.00 0.00 H new ATOM 0 HA LEU B 38 19.725 3.854 0.732 1.00 0.00 H new ATOM 0 HB2 LEU B 38 19.375 1.260 1.204 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.781 1.779 1.715 1.00 0.00 H new ATOM 0 HG LEU B 38 17.557 2.924 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU B 38 18.991 2.047 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU B 38 19.930 2.958 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU B 38 19.969 1.179 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.958 0.820 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.856 -0.096 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.411 0.836 0.003 1.00 0.00 H new ATOM 1224 N GLU B 39 18.342 4.947 3.180 1.00 0.00 N ATOM 1225 CA GLU B 39 17.392 5.888 3.786 1.00 0.00 C ATOM 1226 C GLU B 39 16.889 6.937 2.791 1.00 0.00 C ATOM 1227 O GLU B 39 15.747 7.388 2.879 1.00 0.00 O ATOM 1228 CB GLU B 39 18.037 6.586 4.993 1.00 0.00 C ATOM 1229 CG GLU B 39 19.077 7.638 4.627 1.00 0.00 C ATOM 1230 CD GLU B 39 20.331 7.052 4.007 1.00 0.00 C ATOM 1231 OE1 GLU B 39 21.267 6.713 4.762 1.00 0.00 O ATOM 1232 OE2 GLU B 39 20.388 6.928 2.763 1.00 0.00 O ATOM 0 H GLU B 39 19.204 4.834 3.714 1.00 0.00 H new ATOM 0 HA GLU B 39 16.529 5.306 4.110 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.254 7.057 5.587 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.506 5.833 5.626 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.634 8.350 3.930 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.350 8.196 5.523 1.00 0.00 H new ATOM 1239 N ARG B 40 17.734 7.294 1.831 1.00 0.00 N ATOM 1240 CA ARG B 40 17.391 8.293 0.827 1.00 0.00 C ATOM 1241 C ARG B 40 16.270 7.821 -0.101 1.00 0.00 C ATOM 1242 O ARG B 40 15.754 8.596 -0.903 1.00 0.00 O ATOM 1243 CB ARG B 40 18.635 8.662 0.017 1.00 0.00 C ATOM 1244 CG ARG B 40 19.637 9.493 0.804 1.00 0.00 C ATOM 1245 CD ARG B 40 21.051 9.320 0.279 1.00 0.00 C ATOM 1246 NE ARG B 40 21.553 7.964 0.495 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.637 7.464 -0.101 1.00 0.00 C ATOM 1248 NH1 ARG B 40 23.386 8.235 -0.885 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.981 6.198 0.103 1.00 0.00 N ATOM 0 H ARG B 40 18.670 6.902 1.727 1.00 0.00 H new ATOM 0 HA ARG B 40 17.021 9.175 1.351 1.00 0.00 H new ATOM 0 HB2 ARG B 40 19.121 7.749 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.331 9.216 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.357 10.545 0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.602 9.205 1.855 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.073 9.549 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.711 10.034 0.772 1.00 0.00 H new ATOM 0 HE ARG B 40 21.043 7.363 1.142 1.00 0.00 H new ATOM 0 HH11 ARG B 40 23.132 9.212 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.214 7.849 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG B 40 22.417 5.608 0.715 1.00 0.00 H new ATOM 0 HH22 ARG B 40 23.810 5.815 -0.352 1.00 0.00 H new ATOM 1263 N TYR B 41 15.888 6.555 0.011 1.00 0.00 N ATOM 1264 CA TYR B 41 14.826 6.012 -0.824 1.00 0.00 C ATOM 1265 C TYR B 41 13.453 6.183 -0.173 1.00 0.00 C ATOM 1266 O TYR B 41 12.437 6.163 -0.867 1.00 0.00 O ATOM 1267 CB TYR B 41 15.084 4.538 -1.137 1.00 0.00 C ATOM 1268 CG TYR B 41 15.463 4.288 -2.582 1.00 0.00 C ATOM 1269 CD1 TYR B 41 14.486 4.122 -3.555 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.794 4.215 -2.970 1.00 0.00 C ATOM 1271 CE1 TYR B 41 14.826 3.889 -4.875 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.141 3.985 -4.289 1.00 0.00 C ATOM 1273 CZ TYR B 41 16.153 3.820 -5.237 1.00 0.00 C ATOM 1274 OH TYR B 41 16.495 3.583 -6.552 1.00 0.00 O ATOM 0 H TYR B 41 16.295 5.889 0.668 1.00 0.00 H new ATOM 0 HA TYR B 41 14.826 6.575 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.882 4.171 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR B 41 14.190 3.962 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR B 41 13.444 4.176 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR B 41 17.571 4.340 -2.230 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.054 3.762 -5.619 1.00 0.00 H new ATOM 0 HE2 TYR B 41 18.181 3.935 -4.575 1.00 0.00 H new ATOM 0 HH TYR B 41 17.327 3.066 -6.586 1.00 0.00 H new ATOM 1284 N GLU B 42 13.421 6.345 1.158 1.00 0.00 N ATOM 1285 CA GLU B 42 12.155 6.534 1.885 1.00 0.00 C ATOM 1286 C GLU B 42 11.377 7.724 1.328 1.00 0.00 C ATOM 1287 O GLU B 42 10.152 7.782 1.417 1.00 0.00 O ATOM 1288 CB GLU B 42 12.405 6.753 3.382 1.00 0.00 C ATOM 1289 CG GLU B 42 11.125 6.756 4.207 1.00 0.00 C ATOM 1290 CD GLU B 42 11.337 7.201 5.639 1.00 0.00 C ATOM 1291 OE1 GLU B 42 11.959 8.260 5.858 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.870 6.501 6.557 1.00 0.00 O ATOM 0 H GLU B 42 14.251 6.349 1.751 1.00 0.00 H new ATOM 0 HA GLU B 42 11.567 5.626 1.750 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.067 5.970 3.752 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.923 7.702 3.523 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.397 7.414 3.733 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.697 5.754 4.205 1.00 0.00 H new ATOM 1299 N GLU B 43 12.114 8.642 0.724 1.00 0.00 N ATOM 1300 CA GLU B 43 11.538 9.844 0.145 1.00 0.00 C ATOM 1301 C GLU B 43 10.464 9.470 -0.881 1.00 0.00 C ATOM 1302 O GLU B 43 9.340 9.973 -0.837 1.00 0.00 O ATOM 1303 CB GLU B 43 12.640 10.682 -0.504 1.00 0.00 C ATOM 1304 CG GLU B 43 12.254 12.132 -0.728 1.00 0.00 C ATOM 1305 CD GLU B 43 13.450 13.002 -1.047 1.00 0.00 C ATOM 1306 OE1 GLU B 43 13.809 13.113 -2.238 1.00 0.00 O ATOM 1307 OE2 GLU B 43 14.035 13.584 -0.107 1.00 0.00 O ATOM 0 H GLU B 43 13.127 8.575 0.622 1.00 0.00 H new ATOM 0 HA GLU B 43 11.068 10.435 0.931 1.00 0.00 H new ATOM 0 HB2 GLU B 43 13.530 10.645 0.125 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.908 10.235 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU B 43 11.535 12.192 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU B 43 11.756 12.515 0.163 1.00 0.00 H new ATOM 1314 N GLY B 44 10.819 8.569 -1.789 1.00 0.00 N ATOM 1315 CA GLY B 44 9.883 8.129 -2.807 1.00 0.00 C ATOM 1316 C GLY B 44 9.009 6.975 -2.352 1.00 0.00 C ATOM 1317 O GLY B 44 8.093 6.564 -3.063 1.00 0.00 O ATOM 0 H GLY B 44 11.740 8.134 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.248 8.967 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.437 7.829 -3.696 1.00 0.00 H new ATOM 1321 N LEU B 45 9.274 6.458 -1.159 1.00 0.00 N ATOM 1322 CA LEU B 45 8.507 5.337 -0.621 1.00 0.00 C ATOM 1323 C LEU B 45 7.374 5.821 0.286 1.00 0.00 C ATOM 1324 O LEU B 45 6.802 5.043 1.043 1.00 0.00 O ATOM 1325 CB LEU B 45 9.424 4.389 0.163 1.00 0.00 C ATOM 1326 CG LEU B 45 10.390 3.547 -0.679 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.557 3.064 0.170 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.668 2.358 -1.294 1.00 0.00 C ATOM 0 H LEU B 45 10.014 6.796 -0.544 1.00 0.00 H new ATOM 0 HA LEU B 45 8.069 4.803 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU B 45 10.008 4.980 0.869 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.801 3.714 0.750 1.00 0.00 H new ATOM 0 HG LEU B 45 10.776 4.175 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU B 45 12.232 2.468 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU B 45 12.095 3.923 0.572 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.181 2.455 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.371 1.773 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.255 1.734 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.861 2.714 -1.934 1.00 0.00 H new ATOM 1340 N VAL B 46 7.027 7.096 0.193 1.00 0.00 N ATOM 1341 CA VAL B 46 5.970 7.650 1.032 1.00 0.00 C ATOM 1342 C VAL B 46 4.625 7.669 0.306 1.00 0.00 C ATOM 1343 O VAL B 46 3.594 7.310 0.876 1.00 0.00 O ATOM 1344 CB VAL B 46 6.313 9.085 1.499 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.108 9.757 2.147 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.490 9.066 2.463 1.00 0.00 C ATOM 0 H VAL B 46 7.456 7.763 -0.448 1.00 0.00 H new ATOM 0 HA VAL B 46 5.893 6.999 1.903 1.00 0.00 H new ATOM 0 HB VAL B 46 6.590 9.665 0.619 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.380 10.764 2.465 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.291 9.812 1.427 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.790 9.177 3.013 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.717 10.084 2.781 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.237 8.462 3.334 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.361 8.639 1.966 1.00 0.00 H new ATOM 1356 N HIS B 47 4.648 8.043 -0.966 1.00 0.00 N ATOM 1357 CA HIS B 47 3.426 8.158 -1.763 1.00 0.00 C ATOM 1358 C HIS B 47 2.769 6.814 -2.079 1.00 0.00 C ATOM 1359 O HIS B 47 1.731 6.786 -2.742 1.00 0.00 O ATOM 1360 CB HIS B 47 3.713 8.891 -3.076 1.00 0.00 C ATOM 1361 CG HIS B 47 3.811 10.382 -2.936 1.00 0.00 C ATOM 1362 ND1 HIS B 47 3.203 11.275 -3.792 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.468 11.135 -2.017 1.00 0.00 C ATOM 1364 CE1 HIS B 47 3.501 12.513 -3.377 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.267 12.483 -2.302 1.00 0.00 N ATOM 0 H HIS B 47 5.502 8.274 -1.474 1.00 0.00 H new ATOM 0 HA HIS B 47 2.725 8.724 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS B 47 4.646 8.514 -3.494 1.00 0.00 H new ATOM 0 HB3 HIS B 47 2.925 8.655 -3.791 1.00 0.00 H new ATOM 0 HD2 HIS B 47 5.054 10.750 -1.195 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.159 13.417 -3.859 1.00 0.00 H new ATOM 0 HE2 HIS B 47 4.635 13.282 -1.787 1.00 0.00 H new ATOM 1373 N ASN B 48 3.337 5.708 -1.613 1.00 0.00 N ATOM 1374 CA ASN B 48 2.751 4.403 -1.915 1.00 0.00 C ATOM 1375 C ASN B 48 2.169 3.711 -0.693 1.00 0.00 C ATOM 1376 O ASN B 48 1.671 2.592 -0.797 1.00 0.00 O ATOM 1377 CB ASN B 48 3.758 3.476 -2.595 1.00 0.00 C ATOM 1378 CG ASN B 48 4.069 3.864 -4.031 1.00 0.00 C ATOM 1379 OD1 ASN B 48 3.991 5.030 -4.409 1.00 0.00 O ATOM 1380 ND2 ASN B 48 4.424 2.879 -4.844 1.00 0.00 N ATOM 0 H ASN B 48 4.180 5.683 -1.039 1.00 0.00 H new ATOM 0 HA ASN B 48 1.930 4.608 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.684 3.474 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.370 2.457 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN B 48 4.644 3.077 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN B 48 4.478 1.923 -4.493 1.00 0.00 H new ATOM 1387 N GLY B 49 2.219 4.358 0.455 1.00 0.00 N ATOM 1388 CA GLY B 49 1.650 3.758 1.647 1.00 0.00 C ATOM 1389 C GLY B 49 2.617 2.889 2.413 1.00 0.00 C ATOM 1390 O GLY B 49 2.201 2.027 3.185 1.00 0.00 O ATOM 0 H GLY B 49 2.638 5.279 0.588 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.289 4.549 2.304 1.00 0.00 H new ATOM 0 HA3 GLY B 49 0.784 3.159 1.363 1.00 0.00 H new ATOM 1394 N TRP B 50 3.906 3.118 2.227 1.00 0.00 N ATOM 1395 CA TRP B 50 4.917 2.346 2.936 1.00 0.00 C ATOM 1396 C TRP B 50 5.172 2.981 4.302 1.00 0.00 C ATOM 1397 O TRP B 50 6.305 3.079 4.768 1.00 0.00 O ATOM 1398 CB TRP B 50 6.207 2.264 2.117 1.00 0.00 C ATOM 1399 CG TRP B 50 6.006 1.702 0.736 1.00 0.00 C ATOM 1400 CD1 TRP B 50 6.330 2.304 -0.445 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.431 0.433 0.391 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.999 1.491 -1.500 1.00 0.00 N ATOM 1403 CE2 TRP B 50 5.443 0.338 -1.015 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.908 -0.632 1.131 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.952 -0.775 -1.691 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.423 -1.736 0.456 1.00 0.00 C ATOM 1407 CH2 TRP B 50 4.448 -1.800 -0.942 1.00 0.00 C ATOM 0 H TRP B 50 4.277 3.827 1.595 1.00 0.00 H new ATOM 0 HA TRP B 50 4.557 1.328 3.082 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.640 3.261 2.036 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.928 1.646 2.651 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.782 3.281 -0.536 1.00 0.00 H new ATOM 0 HE1 TRP B 50 6.144 1.710 -2.486 1.00 0.00 H new ATOM 0 HE3 TRP B 50 4.884 -0.592 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.969 -0.826 -2.770 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.017 -2.565 1.017 1.00 0.00 H new ATOM 0 HH2 TRP B 50 4.061 -2.678 -1.438 1.00 0.00 H new ATOM 1418 N ASP B 51 4.080 3.405 4.931 1.00 0.00 N ATOM 1419 CA ASP B 51 4.110 4.044 6.242 1.00 0.00 C ATOM 1420 C ASP B 51 4.353 3.006 7.332 1.00 0.00 C ATOM 1421 O ASP B 51 4.948 3.296 8.369 1.00 0.00 O ATOM 1422 CB ASP B 51 2.780 4.785 6.470 1.00 0.00 C ATOM 1423 CG ASP B 51 2.475 5.074 7.930 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.188 5.902 8.543 1.00 0.00 O ATOM 1425 OD2 ASP B 51 1.505 4.492 8.464 1.00 0.00 O ATOM 0 H ASP B 51 3.142 3.314 4.542 1.00 0.00 H new ATOM 0 HA ASP B 51 4.928 4.763 6.282 1.00 0.00 H new ATOM 0 HB2 ASP B 51 2.802 5.726 5.921 1.00 0.00 H new ATOM 0 HB3 ASP B 51 1.968 4.190 6.051 1.00 0.00 H new ATOM 1430 N ASP B 52 3.907 1.788 7.076 1.00 0.00 N ATOM 1431 CA ASP B 52 4.076 0.700 8.025 1.00 0.00 C ATOM 1432 C ASP B 52 4.996 -0.363 7.436 1.00 0.00 C ATOM 1433 O ASP B 52 4.763 -0.859 6.330 1.00 0.00 O ATOM 1434 CB ASP B 52 2.718 0.089 8.385 1.00 0.00 C ATOM 1435 CG ASP B 52 2.783 -0.840 9.586 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.850 -1.438 9.831 1.00 0.00 O ATOM 1437 OD2 ASP B 52 1.761 -0.982 10.289 1.00 0.00 O ATOM 0 H ASP B 52 3.424 1.527 6.217 1.00 0.00 H new ATOM 0 HA ASP B 52 4.528 1.094 8.936 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.009 0.891 8.591 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.335 -0.463 7.526 1.00 0.00 H new ATOM 1442 N LEU B 53 6.030 -0.718 8.187 1.00 0.00 N ATOM 1443 CA LEU B 53 6.999 -1.711 7.747 1.00 0.00 C ATOM 1444 C LEU B 53 6.374 -3.098 7.650 1.00 0.00 C ATOM 1445 O LEU B 53 6.881 -3.962 6.933 1.00 0.00 O ATOM 1446 CB LEU B 53 8.202 -1.734 8.689 1.00 0.00 C ATOM 1447 CG LEU B 53 9.231 -0.630 8.444 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.229 -0.562 9.588 1.00 0.00 C ATOM 1449 CD2 LEU B 53 9.951 -0.861 7.125 1.00 0.00 C ATOM 0 H LEU B 53 6.219 -0.329 9.111 1.00 0.00 H new ATOM 0 HA LEU B 53 7.335 -1.428 6.750 1.00 0.00 H new ATOM 0 HB2 LEU B 53 7.843 -1.655 9.715 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.698 -2.700 8.598 1.00 0.00 H new ATOM 0 HG LEU B 53 8.705 0.323 8.392 1.00 0.00 H new ATOM 0 HD11 LEU B 53 10.952 0.230 9.393 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.702 -0.352 10.519 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.750 -1.516 9.674 1.00 0.00 H new ATOM 0 HD21 LEU B 53 10.680 -0.067 6.965 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.462 -1.823 7.153 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.227 -0.859 6.310 1.00 0.00 H new ATOM 1461 N GLU B 54 5.261 -3.303 8.350 1.00 0.00 N ATOM 1462 CA GLU B 54 4.574 -4.588 8.321 1.00 0.00 C ATOM 1463 C GLU B 54 4.133 -4.914 6.899 1.00 0.00 C ATOM 1464 O GLU B 54 4.261 -6.048 6.442 1.00 0.00 O ATOM 1465 CB GLU B 54 3.354 -4.578 9.240 1.00 0.00 C ATOM 1466 CG GLU B 54 3.689 -4.682 10.718 1.00 0.00 C ATOM 1467 CD GLU B 54 2.492 -5.108 11.542 1.00 0.00 C ATOM 1468 OE1 GLU B 54 1.355 -5.025 11.032 1.00 0.00 O ATOM 1469 OE2 GLU B 54 2.680 -5.545 12.693 1.00 0.00 O ATOM 0 H GLU B 54 4.819 -2.599 8.941 1.00 0.00 H new ATOM 0 HA GLU B 54 5.270 -5.349 8.673 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.792 -3.660 9.070 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.701 -5.407 8.967 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.498 -5.399 10.857 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.052 -3.719 11.076 1.00 0.00 H new ATOM 1476 N PHE B 55 3.634 -3.904 6.197 1.00 0.00 N ATOM 1477 CA PHE B 55 3.178 -4.085 4.826 1.00 0.00 C ATOM 1478 C PHE B 55 4.366 -4.138 3.876 1.00 0.00 C ATOM 1479 O PHE B 55 4.312 -4.779 2.828 1.00 0.00 O ATOM 1480 CB PHE B 55 2.229 -2.955 4.421 1.00 0.00 C ATOM 1481 CG PHE B 55 1.458 -3.243 3.163 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.586 -4.317 3.104 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.610 -2.448 2.041 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.121 -4.591 1.949 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.907 -2.718 0.882 1.00 0.00 C ATOM 1486 CZ PHE B 55 0.040 -3.791 0.836 1.00 0.00 C ATOM 0 H PHE B 55 3.535 -2.954 6.554 1.00 0.00 H new ATOM 0 HA PHE B 55 2.638 -5.030 4.766 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.527 -2.772 5.234 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.804 -2.039 4.284 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.457 -4.948 3.971 1.00 0.00 H new ATOM 0 HD2 PHE B 55 2.286 -1.606 2.071 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.799 -5.431 1.917 1.00 0.00 H new ATOM 0 HE2 PHE B 55 1.036 -2.090 0.013 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.511 -4.004 -0.068 1.00 0.00 H new ATOM 1496 N LEU B 56 5.451 -3.477 4.259 1.00 0.00 N ATOM 1497 CA LEU B 56 6.655 -3.450 3.441 1.00 0.00 C ATOM 1498 C LEU B 56 7.357 -4.805 3.474 1.00 0.00 C ATOM 1499 O LEU B 56 8.203 -5.099 2.635 1.00 0.00 O ATOM 1500 CB LEU B 56 7.603 -2.347 3.915 1.00 0.00 C ATOM 1501 CG LEU B 56 8.659 -1.923 2.893 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.600 -0.425 2.658 1.00 0.00 C ATOM 1503 CD2 LEU B 56 10.045 -2.335 3.353 1.00 0.00 C ATOM 0 H LEU B 56 5.521 -2.953 5.131 1.00 0.00 H new ATOM 0 HA LEU B 56 6.364 -3.237 2.412 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.012 -1.473 4.189 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.109 -2.686 4.819 1.00 0.00 H new ATOM 0 HG LEU B 56 8.447 -2.429 1.951 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.358 -0.141 1.928 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.614 -0.154 2.281 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.786 0.098 3.596 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.782 -2.024 2.612 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.268 -1.859 4.308 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.083 -3.418 3.470 1.00 0.00 H new ATOM 1515 N SER B 57 6.987 -5.635 4.440 1.00 0.00 N ATOM 1516 CA SER B 57 7.573 -6.961 4.568 1.00 0.00 C ATOM 1517 C SER B 57 6.929 -7.918 3.564 1.00 0.00 C ATOM 1518 O SER B 57 7.378 -9.053 3.382 1.00 0.00 O ATOM 1519 CB SER B 57 7.392 -7.479 5.997 1.00 0.00 C ATOM 1520 OG SER B 57 7.845 -6.523 6.944 1.00 0.00 O ATOM 0 H SER B 57 6.284 -5.413 5.145 1.00 0.00 H new ATOM 0 HA SER B 57 8.640 -6.901 4.354 1.00 0.00 H new ATOM 0 HB2 SER B 57 6.341 -7.704 6.176 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.943 -8.411 6.123 1.00 0.00 H new ATOM 0 HG SER B 57 7.305 -5.708 6.870 1.00 0.00 H new ATOM 1526 N ASP B 58 5.875 -7.437 2.912 1.00 0.00 N ATOM 1527 CA ASP B 58 5.150 -8.216 1.917 1.00 0.00 C ATOM 1528 C ASP B 58 5.322 -7.587 0.541 1.00 0.00 C ATOM 1529 O ASP B 58 4.556 -7.862 -0.383 1.00 0.00 O ATOM 1530 CB ASP B 58 3.661 -8.280 2.276 1.00 0.00 C ATOM 1531 CG ASP B 58 3.219 -9.663 2.709 1.00 0.00 C ATOM 1532 OD1 ASP B 58 4.090 -10.501 3.027 1.00 0.00 O ATOM 1533 OD2 ASP B 58 1.995 -9.918 2.748 1.00 0.00 O ATOM 0 H ASP B 58 5.501 -6.499 3.059 1.00 0.00 H new ATOM 0 HA ASP B 58 5.553 -9.229 1.902 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.455 -7.570 3.077 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.071 -7.968 1.414 1.00 0.00 H new ATOM 1538 N ILE B 59 6.337 -6.741 0.415 1.00 0.00 N ATOM 1539 CA ILE B 59 6.613 -6.052 -0.837 1.00 0.00 C ATOM 1540 C ILE B 59 7.259 -6.991 -1.858 1.00 0.00 C ATOM 1541 O ILE B 59 7.945 -7.950 -1.497 1.00 0.00 O ATOM 1542 CB ILE B 59 7.518 -4.813 -0.608 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.362 -3.814 -1.756 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.980 -5.220 -0.452 1.00 0.00 C ATOM 1545 CD1 ILE B 59 8.081 -2.504 -1.522 1.00 0.00 C ATOM 0 H ILE B 59 6.985 -6.516 1.170 1.00 0.00 H new ATOM 0 HA ILE B 59 5.657 -5.714 -1.236 1.00 0.00 H new ATOM 0 HB ILE B 59 7.200 -4.333 0.318 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.738 -4.266 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.302 -3.614 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.590 -4.331 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE B 59 9.082 -5.888 0.403 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.313 -5.732 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.926 -1.846 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.689 -2.029 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE B 59 9.147 -2.692 -1.397 1.00 0.00 H new ATOM 1557 N THR B 60 7.017 -6.719 -3.131 1.00 0.00 N ATOM 1558 CA THR B 60 7.576 -7.519 -4.205 1.00 0.00 C ATOM 1559 C THR B 60 8.586 -6.698 -4.997 1.00 0.00 C ATOM 1560 O THR B 60 8.739 -5.497 -4.761 1.00 0.00 O ATOM 1561 CB THR B 60 6.474 -8.012 -5.166 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.899 -6.896 -5.862 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.383 -8.763 -4.415 1.00 0.00 C ATOM 0 H THR B 60 6.433 -5.944 -3.445 1.00 0.00 H new ATOM 0 HA THR B 60 8.065 -8.382 -3.754 1.00 0.00 H new ATOM 0 HB THR B 60 6.931 -8.696 -5.881 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.110 -6.578 -5.375 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.621 -9.098 -5.119 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.817 -9.627 -3.912 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.929 -8.103 -3.676 1.00 0.00 H new ATOM 1571 N GLU B 61 9.271 -7.342 -5.936 1.00 0.00 N ATOM 1572 CA GLU B 61 10.237 -6.651 -6.778 1.00 0.00 C ATOM 1573 C GLU B 61 9.508 -5.673 -7.689 1.00 0.00 C ATOM 1574 O GLU B 61 10.067 -4.664 -8.122 1.00 0.00 O ATOM 1575 CB GLU B 61 11.028 -7.646 -7.625 1.00 0.00 C ATOM 1576 CG GLU B 61 12.271 -8.188 -6.943 1.00 0.00 C ATOM 1577 CD GLU B 61 13.256 -8.759 -7.940 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.637 -8.032 -8.884 1.00 0.00 O ATOM 1579 OE2 GLU B 61 13.648 -9.933 -7.795 1.00 0.00 O ATOM 0 H GLU B 61 9.175 -8.338 -6.132 1.00 0.00 H new ATOM 0 HA GLU B 61 10.934 -6.111 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.378 -8.480 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU B 61 11.320 -7.162 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.750 -7.391 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU B 61 11.986 -8.962 -6.230 1.00 0.00 H new ATOM 1586 N GLU B 62 8.245 -5.989 -7.958 1.00 0.00 N ATOM 1587 CA GLU B 62 7.403 -5.165 -8.809 1.00 0.00 C ATOM 1588 C GLU B 62 7.035 -3.879 -8.089 1.00 0.00 C ATOM 1589 O GLU B 62 7.264 -2.784 -8.594 1.00 0.00 O ATOM 1590 CB GLU B 62 6.125 -5.918 -9.193 1.00 0.00 C ATOM 1591 CG GLU B 62 6.322 -7.412 -9.412 1.00 0.00 C ATOM 1592 CD GLU B 62 7.348 -7.717 -10.481 1.00 0.00 C ATOM 1593 OE1 GLU B 62 7.064 -7.470 -11.670 1.00 0.00 O ATOM 1594 OE2 GLU B 62 8.443 -8.204 -10.133 1.00 0.00 O ATOM 0 H GLU B 62 7.781 -6.820 -7.592 1.00 0.00 H new ATOM 0 HA GLU B 62 7.960 -4.928 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.382 -5.772 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU B 62 5.718 -5.479 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU B 62 6.632 -7.874 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU B 62 5.369 -7.863 -9.690 1.00 0.00 H new ATOM 1601 N ASP B 63 6.445 -4.029 -6.906 1.00 0.00 N ATOM 1602 CA ASP B 63 6.038 -2.885 -6.093 1.00 0.00 C ATOM 1603 C ASP B 63 7.193 -1.915 -5.877 1.00 0.00 C ATOM 1604 O ASP B 63 7.004 -0.700 -5.925 1.00 0.00 O ATOM 1605 CB ASP B 63 5.488 -3.353 -4.744 1.00 0.00 C ATOM 1606 CG ASP B 63 4.149 -4.051 -4.868 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.118 -3.354 -5.028 1.00 0.00 O ATOM 1608 OD2 ASP B 63 4.125 -5.296 -4.812 1.00 0.00 O ATOM 0 H ASP B 63 6.237 -4.935 -6.487 1.00 0.00 H new ATOM 0 HA ASP B 63 5.252 -2.360 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.205 -4.031 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.385 -2.494 -4.081 1.00 0.00 H new ATOM 1613 N LEU B 64 8.381 -2.453 -5.611 1.00 0.00 N ATOM 1614 CA LEU B 64 9.571 -1.633 -5.403 1.00 0.00 C ATOM 1615 C LEU B 64 9.822 -0.678 -6.571 1.00 0.00 C ATOM 1616 O LEU B 64 9.876 0.537 -6.380 1.00 0.00 O ATOM 1617 CB LEU B 64 10.795 -2.533 -5.204 1.00 0.00 C ATOM 1618 CG LEU B 64 10.986 -3.080 -3.790 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.065 -4.152 -3.776 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.344 -1.956 -2.831 1.00 0.00 C ATOM 0 H LEU B 64 8.545 -3.457 -5.534 1.00 0.00 H new ATOM 0 HA LEU B 64 9.401 -1.030 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.722 -3.374 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.687 -1.971 -5.481 1.00 0.00 H new ATOM 0 HG LEU B 64 10.048 -3.529 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.188 -4.531 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.774 -4.969 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.007 -3.725 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.477 -2.362 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.270 -1.482 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.542 -1.218 -2.820 1.00 0.00 H new ATOM 1632 N GLU B 65 10.016 -1.248 -7.760 1.00 0.00 N ATOM 1633 CA GLU B 65 10.273 -0.473 -8.981 1.00 0.00 C ATOM 1634 C GLU B 65 9.361 0.759 -9.116 1.00 0.00 C ATOM 1635 O GLU B 65 9.813 1.811 -9.571 1.00 0.00 O ATOM 1636 CB GLU B 65 10.171 -1.378 -10.225 1.00 0.00 C ATOM 1637 CG GLU B 65 8.799 -1.419 -10.889 1.00 0.00 C ATOM 1638 CD GLU B 65 8.717 -0.549 -12.129 1.00 0.00 C ATOM 1639 OE1 GLU B 65 9.538 -0.742 -13.053 1.00 0.00 O ATOM 1640 OE2 GLU B 65 7.828 0.326 -12.196 1.00 0.00 O ATOM 0 H GLU B 65 10.000 -2.257 -7.907 1.00 0.00 H new ATOM 0 HA GLU B 65 11.291 -0.090 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU B 65 10.902 -1.042 -10.960 1.00 0.00 H new ATOM 0 HB3 GLU B 65 10.449 -2.393 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU B 65 8.561 -2.448 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU B 65 8.044 -1.094 -10.173 1.00 0.00 H new ATOM 1647 N GLU B 66 8.096 0.637 -8.707 1.00 0.00 N ATOM 1648 CA GLU B 66 7.144 1.747 -8.794 1.00 0.00 C ATOM 1649 C GLU B 66 7.610 2.967 -8.000 1.00 0.00 C ATOM 1650 O GLU B 66 7.376 4.106 -8.405 1.00 0.00 O ATOM 1651 CB GLU B 66 5.773 1.317 -8.273 1.00 0.00 C ATOM 1652 CG GLU B 66 5.297 -0.014 -8.823 1.00 0.00 C ATOM 1653 CD GLU B 66 3.960 -0.430 -8.248 1.00 0.00 C ATOM 1654 OE1 GLU B 66 3.661 -0.072 -7.089 1.00 0.00 O ATOM 1655 OE2 GLU B 66 3.201 -1.125 -8.951 1.00 0.00 O ATOM 0 H GLU B 66 7.707 -0.219 -8.312 1.00 0.00 H new ATOM 0 HA GLU B 66 7.078 2.023 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.811 1.257 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.042 2.085 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.218 0.051 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU B 66 6.039 -0.782 -8.603 1.00 0.00 H new ATOM 1662 N ALA B 67 8.273 2.727 -6.879 1.00 0.00 N ATOM 1663 CA ALA B 67 8.750 3.809 -6.026 1.00 0.00 C ATOM 1664 C ALA B 67 10.061 4.393 -6.543 1.00 0.00 C ATOM 1665 O ALA B 67 10.608 5.328 -5.961 1.00 0.00 O ATOM 1666 CB ALA B 67 8.914 3.319 -4.596 1.00 0.00 C ATOM 0 H ALA B 67 8.494 1.792 -6.537 1.00 0.00 H new ATOM 0 HA ALA B 67 8.004 4.603 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.271 4.137 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.954 2.966 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.635 2.502 -4.572 1.00 0.00 H new ATOM 1672 N GLY B 68 10.560 3.842 -7.640 1.00 0.00 N ATOM 1673 CA GLY B 68 11.798 4.330 -8.211 1.00 0.00 C ATOM 1674 C GLY B 68 12.952 3.379 -7.978 1.00 0.00 C ATOM 1675 O GLY B 68 14.095 3.677 -8.329 1.00 0.00 O ATOM 0 H GLY B 68 10.130 3.067 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.666 4.482 -9.282 1.00 0.00 H new ATOM 0 HA3 GLY B 68 12.037 5.301 -7.778 1.00 0.00 H new ATOM 1679 N VAL B 69 12.660 2.230 -7.386 1.00 0.00 N ATOM 1680 CA VAL B 69 13.687 1.234 -7.115 1.00 0.00 C ATOM 1681 C VAL B 69 13.887 0.342 -8.337 1.00 0.00 C ATOM 1682 O VAL B 69 13.636 -0.862 -8.297 1.00 0.00 O ATOM 1683 CB VAL B 69 13.335 0.359 -5.889 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.582 -0.317 -5.336 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.651 1.182 -4.806 1.00 0.00 C ATOM 0 H VAL B 69 11.722 1.964 -7.085 1.00 0.00 H new ATOM 0 HA VAL B 69 14.609 1.770 -6.892 1.00 0.00 H new ATOM 0 HB VAL B 69 12.639 -0.413 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.313 -0.928 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.024 -0.950 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.303 0.442 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.415 0.541 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.316 1.983 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.731 1.612 -5.202 1.00 0.00 H new ATOM 1695 N GLN B 70 14.329 0.946 -9.429 1.00 0.00 N ATOM 1696 CA GLN B 70 14.560 0.217 -10.668 1.00 0.00 C ATOM 1697 C GLN B 70 16.037 -0.120 -10.822 1.00 0.00 C ATOM 1698 O GLN B 70 16.642 0.113 -11.870 1.00 0.00 O ATOM 1699 CB GLN B 70 14.065 1.031 -11.862 1.00 0.00 C ATOM 1700 CG GLN B 70 12.556 0.995 -12.027 1.00 0.00 C ATOM 1701 CD GLN B 70 12.071 1.855 -13.174 1.00 0.00 C ATOM 1702 OE1 GLN B 70 12.663 2.887 -13.487 1.00 0.00 O ATOM 1703 NE2 GLN B 70 10.987 1.438 -13.806 1.00 0.00 N ATOM 0 H GLN B 70 14.536 1.943 -9.483 1.00 0.00 H new ATOM 0 HA GLN B 70 14.000 -0.717 -10.631 1.00 0.00 H new ATOM 0 HB2 GLN B 70 14.387 2.066 -11.746 1.00 0.00 H new ATOM 0 HB3 GLN B 70 14.532 0.652 -12.771 1.00 0.00 H new ATOM 0 HG2 GLN B 70 12.237 -0.034 -12.191 1.00 0.00 H new ATOM 0 HG3 GLN B 70 12.086 1.331 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN B 70 10.526 0.576 -13.514 1.00 0.00 H new ATOM 0 HE22 GLN B 70 10.611 1.978 -14.585 1.00 0.00 H new ATOM 1712 N ASP B 71 16.606 -0.672 -9.764 1.00 0.00 N ATOM 1713 CA ASP B 71 18.009 -1.055 -9.749 1.00 0.00 C ATOM 1714 C ASP B 71 18.154 -2.432 -9.107 1.00 0.00 C ATOM 1715 O ASP B 71 17.572 -2.688 -8.051 1.00 0.00 O ATOM 1716 CB ASP B 71 18.832 -0.012 -8.985 1.00 0.00 C ATOM 1717 CG ASP B 71 20.289 -0.404 -8.837 1.00 0.00 C ATOM 1718 OD1 ASP B 71 20.609 -1.193 -7.928 1.00 0.00 O ATOM 1719 OD2 ASP B 71 21.118 0.074 -9.634 1.00 0.00 O ATOM 0 H ASP B 71 16.111 -0.867 -8.894 1.00 0.00 H new ATOM 0 HA ASP B 71 18.383 -1.102 -10.772 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.769 0.944 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP B 71 18.398 0.133 -7.996 1.00 0.00 H new ATOM 1724 N PRO B 72 18.904 -3.343 -9.752 1.00 0.00 N ATOM 1725 CA PRO B 72 19.113 -4.706 -9.249 1.00 0.00 C ATOM 1726 C PRO B 72 19.673 -4.744 -7.826 1.00 0.00 C ATOM 1727 O PRO B 72 19.095 -5.390 -6.951 1.00 0.00 O ATOM 1728 CB PRO B 72 20.111 -5.324 -10.239 1.00 0.00 C ATOM 1729 CG PRO B 72 20.665 -4.180 -11.022 1.00 0.00 C ATOM 1730 CD PRO B 72 19.599 -3.123 -11.028 1.00 0.00 C ATOM 0 HA PRO B 72 18.169 -5.248 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO B 72 20.903 -5.859 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO B 72 19.619 -6.044 -10.893 1.00 0.00 H new ATOM 0 HG2 PRO B 72 21.582 -3.805 -10.568 1.00 0.00 H new ATOM 0 HG3 PRO B 72 20.914 -4.488 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO B 72 20.025 -2.121 -11.088 1.00 0.00 H new ATOM 0 HD3 PRO B 72 18.926 -3.234 -11.878 1.00 0.00 H new ATOM 1738 N ALA B 73 20.785 -4.049 -7.597 1.00 0.00 N ATOM 1739 CA ALA B 73 21.414 -4.019 -6.280 1.00 0.00 C ATOM 1740 C ALA B 73 20.484 -3.426 -5.229 1.00 0.00 C ATOM 1741 O ALA B 73 20.349 -3.974 -4.137 1.00 0.00 O ATOM 1742 CB ALA B 73 22.719 -3.238 -6.333 1.00 0.00 C ATOM 0 H ALA B 73 21.269 -3.499 -8.307 1.00 0.00 H new ATOM 0 HA ALA B 73 21.628 -5.048 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA B 73 23.176 -3.225 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA B 73 23.399 -3.713 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA B 73 22.518 -2.216 -6.654 1.00 0.00 H new ATOM 1748 N HIS B 74 19.847 -2.308 -5.562 1.00 0.00 N ATOM 1749 CA HIS B 74 18.928 -1.643 -4.640 1.00 0.00 C ATOM 1750 C HIS B 74 17.802 -2.583 -4.220 1.00 0.00 C ATOM 1751 O HIS B 74 17.472 -2.682 -3.036 1.00 0.00 O ATOM 1752 CB HIS B 74 18.339 -0.376 -5.269 1.00 0.00 C ATOM 1753 CG HIS B 74 19.306 0.768 -5.361 1.00 0.00 C ATOM 1754 ND1 HIS B 74 19.045 1.944 -6.032 1.00 0.00 N ATOM 1755 CD2 HIS B 74 20.557 0.904 -4.846 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.117 2.736 -5.909 1.00 0.00 C ATOM 1757 NE2 HIS B 74 21.062 2.153 -5.197 1.00 0.00 N ATOM 0 H HIS B 74 19.949 -1.842 -6.464 1.00 0.00 H new ATOM 0 HA HIS B 74 19.498 -1.361 -3.755 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.978 -0.614 -6.270 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.475 -0.061 -4.685 1.00 0.00 H new ATOM 0 HD2 HIS B 74 21.076 0.161 -4.258 1.00 0.00 H new ATOM 0 HE1 HIS B 74 20.198 3.724 -6.337 1.00 0.00 H new ATOM 0 HE2 HIS B 74 21.975 2.538 -4.954 1.00 0.00 H new ATOM 1765 N LYS B 75 17.219 -3.278 -5.192 1.00 0.00 N ATOM 1766 CA LYS B 75 16.137 -4.217 -4.916 1.00 0.00 C ATOM 1767 C LYS B 75 16.647 -5.380 -4.076 1.00 0.00 C ATOM 1768 O LYS B 75 16.047 -5.738 -3.060 1.00 0.00 O ATOM 1769 CB LYS B 75 15.531 -4.749 -6.217 1.00 0.00 C ATOM 1770 CG LYS B 75 14.645 -3.747 -6.941 1.00 0.00 C ATOM 1771 CD LYS B 75 13.878 -4.402 -8.080 1.00 0.00 C ATOM 1772 CE LYS B 75 14.806 -4.857 -9.197 1.00 0.00 C ATOM 1773 NZ LYS B 75 14.121 -5.768 -10.151 1.00 0.00 N ATOM 0 H LYS B 75 17.477 -3.209 -6.176 1.00 0.00 H new ATOM 0 HA LYS B 75 15.363 -3.685 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.338 -5.054 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.946 -5.642 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.942 -3.304 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.257 -2.935 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS B 75 13.321 -5.258 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS B 75 13.147 -3.698 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS B 75 15.182 -3.986 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS B 75 15.670 -5.364 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 14.605 -5.735 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 14.146 -6.740 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 13.132 -5.468 -10.269 1.00 0.00 H new ATOM 1787 N ARG B 76 17.763 -5.963 -4.510 1.00 0.00 N ATOM 1788 CA ARG B 76 18.371 -7.087 -3.812 1.00 0.00 C ATOM 1789 C ARG B 76 18.674 -6.726 -2.358 1.00 0.00 C ATOM 1790 O ARG B 76 18.272 -7.442 -1.441 1.00 0.00 O ATOM 1791 CB ARG B 76 19.658 -7.523 -4.527 1.00 0.00 C ATOM 1792 CG ARG B 76 20.390 -8.665 -3.839 1.00 0.00 C ATOM 1793 CD ARG B 76 19.580 -9.952 -3.862 1.00 0.00 C ATOM 1794 NE ARG B 76 19.545 -10.597 -2.550 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.097 -11.832 -2.333 1.00 0.00 C ATOM 1796 NH1 ARG B 76 18.648 -12.569 -3.341 1.00 0.00 N ATOM 1797 NH2 ARG B 76 19.102 -12.331 -1.105 1.00 0.00 N ATOM 0 H ARG B 76 18.265 -5.671 -5.348 1.00 0.00 H new ATOM 0 HA ARG B 76 17.663 -7.916 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG B 76 19.412 -7.824 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG B 76 20.329 -6.667 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG B 76 21.349 -8.830 -4.331 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.605 -8.389 -2.807 1.00 0.00 H new ATOM 0 HD2 ARG B 76 18.563 -9.735 -4.187 1.00 0.00 H new ATOM 0 HD3 ARG B 76 20.009 -10.638 -4.593 1.00 0.00 H new ATOM 0 HE ARG B 76 19.886 -10.066 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG B 76 18.645 -12.190 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG B 76 18.306 -13.514 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG B 76 19.449 -11.769 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG B 76 18.759 -13.277 -0.937 1.00 0.00 H new ATOM 1811 N LEU B 77 19.365 -5.607 -2.160 1.00 0.00 N ATOM 1812 CA LEU B 77 19.722 -5.145 -0.823 1.00 0.00 C ATOM 1813 C LEU B 77 18.490 -4.978 0.059 1.00 0.00 C ATOM 1814 O LEU B 77 18.494 -5.386 1.221 1.00 0.00 O ATOM 1815 CB LEU B 77 20.494 -3.824 -0.900 1.00 0.00 C ATOM 1816 CG LEU B 77 22.015 -3.939 -0.737 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.369 -4.450 0.651 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.607 -4.849 -1.806 1.00 0.00 C ATOM 0 H LEU B 77 19.690 -5.001 -2.913 1.00 0.00 H new ATOM 0 HA LEU B 77 20.359 -5.906 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.283 -3.355 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU B 77 20.113 -3.155 -0.129 1.00 0.00 H new ATOM 0 HG LEU B 77 22.444 -2.944 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.452 -4.524 0.746 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.985 -3.759 1.402 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.923 -5.433 0.801 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.686 -4.915 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU B 77 22.169 -5.843 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.390 -4.440 -2.793 1.00 0.00 H new ATOM 1830 N LEU B 78 17.434 -4.387 -0.490 1.00 0.00 N ATOM 1831 CA LEU B 78 16.205 -4.188 0.268 1.00 0.00 C ATOM 1832 C LEU B 78 15.623 -5.534 0.688 1.00 0.00 C ATOM 1833 O LEU B 78 15.244 -5.722 1.846 1.00 0.00 O ATOM 1834 CB LEU B 78 15.183 -3.394 -0.549 1.00 0.00 C ATOM 1835 CG LEU B 78 14.073 -2.730 0.272 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.818 -1.313 -0.219 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.793 -3.553 0.213 1.00 0.00 C ATOM 0 H LEU B 78 17.404 -4.040 -1.449 1.00 0.00 H new ATOM 0 HA LEU B 78 16.442 -3.613 1.163 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.710 -2.623 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.725 -4.062 -1.278 1.00 0.00 H new ATOM 0 HG LEU B 78 14.401 -2.681 1.310 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.026 -0.858 0.377 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.730 -0.724 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.515 -1.340 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.018 -3.063 0.803 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.462 -3.638 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.981 -4.548 0.616 1.00 0.00 H new ATOM 1849 N LEU B 79 15.576 -6.472 -0.255 1.00 0.00 N ATOM 1850 CA LEU B 79 15.057 -7.811 0.012 1.00 0.00 C ATOM 1851 C LEU B 79 15.857 -8.489 1.124 1.00 0.00 C ATOM 1852 O LEU B 79 15.291 -9.152 1.995 1.00 0.00 O ATOM 1853 CB LEU B 79 15.096 -8.667 -1.258 1.00 0.00 C ATOM 1854 CG LEU B 79 13.754 -8.844 -1.975 1.00 0.00 C ATOM 1855 CD1 LEU B 79 13.228 -7.509 -2.480 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.891 -9.831 -3.125 1.00 0.00 C ATOM 0 H LEU B 79 15.892 -6.329 -1.214 1.00 0.00 H new ATOM 0 HA LEU B 79 14.021 -7.713 0.338 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.804 -8.220 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.483 -9.653 -0.999 1.00 0.00 H new ATOM 0 HG LEU B 79 13.036 -9.243 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU B 79 12.274 -7.661 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU B 79 13.088 -6.831 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.944 -7.077 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.928 -9.945 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU B 79 14.627 -9.459 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU B 79 14.216 -10.797 -2.739 1.00 0.00 H new ATOM 1868 N ASP B 80 17.176 -8.314 1.094 1.00 0.00 N ATOM 1869 CA ASP B 80 18.052 -8.896 2.104 1.00 0.00 C ATOM 1870 C ASP B 80 17.790 -8.262 3.464 1.00 0.00 C ATOM 1871 O ASP B 80 17.801 -8.940 4.496 1.00 0.00 O ATOM 1872 CB ASP B 80 19.522 -8.697 1.725 1.00 0.00 C ATOM 1873 CG ASP B 80 20.003 -9.689 0.687 1.00 0.00 C ATOM 1874 OD1 ASP B 80 19.995 -10.907 0.968 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.396 -9.262 -0.414 1.00 0.00 O ATOM 0 H ASP B 80 17.661 -7.772 0.379 1.00 0.00 H new ATOM 0 HA ASP B 80 17.840 -9.964 2.157 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.660 -7.685 1.344 1.00 0.00 H new ATOM 0 HB3 ASP B 80 20.138 -8.788 2.620 1.00 0.00 H new ATOM 1880 N THR B 81 17.550 -6.958 3.454 1.00 0.00 N ATOM 1881 CA THR B 81 17.283 -6.215 4.676 1.00 0.00 C ATOM 1882 C THR B 81 15.975 -6.672 5.317 1.00 0.00 C ATOM 1883 O THR B 81 15.864 -6.723 6.543 1.00 0.00 O ATOM 1884 CB THR B 81 17.229 -4.700 4.400 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.374 -4.310 3.636 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.197 -3.904 5.697 1.00 0.00 C ATOM 0 H THR B 81 17.535 -6.390 2.607 1.00 0.00 H new ATOM 0 HA THR B 81 18.101 -6.415 5.368 1.00 0.00 H new ATOM 0 HB THR B 81 16.316 -4.490 3.843 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.191 -4.442 2.682 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.159 -2.839 5.469 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.315 -4.183 6.274 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.094 -4.119 6.278 1.00 0.00 H new ATOM 1894 N LEU B 82 14.997 -7.021 4.482 1.00 0.00 N ATOM 1895 CA LEU B 82 13.701 -7.487 4.968 1.00 0.00 C ATOM 1896 C LEU B 82 13.880 -8.683 5.896 1.00 0.00 C ATOM 1897 O LEU B 82 13.302 -8.733 6.980 1.00 0.00 O ATOM 1898 CB LEU B 82 12.790 -7.881 3.801 1.00 0.00 C ATOM 1899 CG LEU B 82 12.436 -6.755 2.825 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.563 -7.287 1.699 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.733 -5.618 3.549 1.00 0.00 C ATOM 0 H LEU B 82 15.079 -6.989 3.466 1.00 0.00 H new ATOM 0 HA LEU B 82 13.237 -6.669 5.518 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.273 -8.683 3.242 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.865 -8.288 4.208 1.00 0.00 H new ATOM 0 HG LEU B 82 13.361 -6.368 2.397 1.00 0.00 H new ATOM 0 HD11 LEU B 82 11.319 -6.476 1.013 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.100 -8.068 1.161 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.644 -7.699 2.115 1.00 0.00 H new ATOM 0 HD21 LEU B 82 11.490 -4.829 2.838 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.816 -5.990 4.006 1.00 0.00 H new ATOM 0 HD23 LEU B 82 12.388 -5.220 4.324 1.00 0.00 H new ATOM 1913 N GLN B 83 14.709 -9.626 5.471 1.00 0.00 N ATOM 1914 CA GLN B 83 14.969 -10.826 6.254 1.00 0.00 C ATOM 1915 C GLN B 83 15.726 -10.492 7.536 1.00 0.00 C ATOM 1916 O GLN B 83 15.405 -11.011 8.604 1.00 0.00 O ATOM 1917 CB GLN B 83 15.756 -11.837 5.424 1.00 0.00 C ATOM 1918 CG GLN B 83 14.950 -12.434 4.283 1.00 0.00 C ATOM 1919 CD GLN B 83 15.807 -13.212 3.306 1.00 0.00 C ATOM 1920 OE1 GLN B 83 16.966 -12.873 3.069 1.00 0.00 O ATOM 1921 NE2 GLN B 83 15.246 -14.264 2.737 1.00 0.00 N ATOM 0 H GLN B 83 15.214 -9.583 4.586 1.00 0.00 H new ATOM 0 HA GLN B 83 14.010 -11.264 6.532 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.643 -11.351 5.018 1.00 0.00 H new ATOM 0 HB3 GLN B 83 16.102 -12.640 6.075 1.00 0.00 H new ATOM 0 HG2 GLN B 83 14.183 -13.092 4.691 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.434 -11.635 3.751 1.00 0.00 H new ATOM 0 HE21 GLN B 83 14.282 -14.511 2.961 1.00 0.00 H new ATOM 0 HE22 GLN B 83 15.777 -14.829 2.074 1.00 0.00 H new ATOM 1930 N LEU B 84 16.746 -9.650 7.420 1.00 0.00 N ATOM 1931 CA LEU B 84 17.548 -9.238 8.572 1.00 0.00 C ATOM 1932 C LEU B 84 16.720 -8.490 9.624 1.00 0.00 C ATOM 1933 O LEU B 84 17.079 -8.468 10.801 1.00 0.00 O ATOM 1934 CB LEU B 84 18.708 -8.353 8.100 1.00 0.00 C ATOM 1935 CG LEU B 84 19.742 -7.994 9.170 1.00 0.00 C ATOM 1936 CD1 LEU B 84 20.531 -9.224 9.588 1.00 0.00 C ATOM 1937 CD2 LEU B 84 20.677 -6.907 8.660 1.00 0.00 C ATOM 0 H LEU B 84 17.041 -9.236 6.536 1.00 0.00 H new ATOM 0 HA LEU B 84 17.931 -10.142 9.045 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.219 -8.860 7.282 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.295 -7.429 7.694 1.00 0.00 H new ATOM 0 HG LEU B 84 19.214 -7.614 10.045 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.260 -8.947 10.349 1.00 0.00 H new ATOM 0 HD12 LEU B 84 19.850 -9.973 9.993 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.049 -9.636 8.722 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.406 -6.663 9.432 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.196 -7.262 7.770 1.00 0.00 H new ATOM 0 HD23 LEU B 84 20.099 -6.017 8.412 1.00 0.00 H new ATOM 1949 N SER B 85 15.620 -7.883 9.204 1.00 0.00 N ATOM 1950 CA SER B 85 14.772 -7.132 10.122 1.00 0.00 C ATOM 1951 C SER B 85 13.630 -7.985 10.664 1.00 0.00 C ATOM 1952 O SER B 85 13.402 -8.019 11.876 1.00 0.00 O ATOM 1953 CB SER B 85 14.213 -5.900 9.417 1.00 0.00 C ATOM 1954 OG SER B 85 15.227 -5.248 8.672 1.00 0.00 O ATOM 0 H SER B 85 15.293 -7.895 8.238 1.00 0.00 H new ATOM 0 HA SER B 85 15.386 -6.825 10.969 1.00 0.00 H new ATOM 0 HB2 SER B 85 13.398 -6.192 8.754 1.00 0.00 H new ATOM 0 HB3 SER B 85 13.795 -5.212 10.152 1.00 0.00 H new ATOM 0 HG SER B 85 15.293 -5.656 7.783 1.00 0.00 H new ATOM 1960 N LYS B 86 12.928 -8.666 9.752 1.00 0.00 N ATOM 1961 CA LYS B 86 11.793 -9.526 10.093 1.00 0.00 C ATOM 1962 C LYS B 86 10.561 -8.683 10.442 1.00 0.00 C ATOM 1963 O LYS B 86 9.453 -9.254 10.539 1.00 0.00 O ATOM 1964 CB LYS B 86 12.151 -10.486 11.242 1.00 0.00 C ATOM 1965 CG LYS B 86 11.116 -11.573 11.492 1.00 0.00 C ATOM 1966 CD LYS B 86 10.318 -11.300 12.758 1.00 0.00 C ATOM 1967 CE LYS B 86 8.924 -11.898 12.675 1.00 0.00 C ATOM 1968 NZ LYS B 86 8.179 -11.402 11.490 1.00 0.00 N ATOM 1969 OXT LYS B 86 10.700 -7.452 10.594 1.00 0.00 O ATOM 0 H LYS B 86 13.133 -8.635 8.753 1.00 0.00 H new ATOM 0 HA LYS B 86 11.552 -10.132 9.219 1.00 0.00 H new ATOM 0 HB2 LYS B 86 13.109 -10.956 11.022 1.00 0.00 H new ATOM 0 HB3 LYS B 86 12.282 -9.907 12.156 1.00 0.00 H new ATOM 0 HG2 LYS B 86 10.439 -11.636 10.640 1.00 0.00 H new ATOM 0 HG3 LYS B 86 11.614 -12.539 11.575 1.00 0.00 H new ATOM 0 HD2 LYS B 86 10.843 -11.716 13.618 1.00 0.00 H new ATOM 0 HD3 LYS B 86 10.245 -10.224 12.919 1.00 0.00 H new ATOM 0 HE2 LYS B 86 8.997 -12.985 12.629 1.00 0.00 H new ATOM 0 HE3 LYS B 86 8.369 -11.654 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 7.211 -11.146 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 8.660 -10.565 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 8.144 -12.147 10.765 1.00 0.00 H new TER 1983 LYS B 86