USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 954 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 -162:sc= 0.787 USER MOD Set 1.2: B 74 HIS : no HD1:sc= 0.189 K(o=0.98,f=-2.9) USER MOD Set 2.1: A 24 MET CE :methyl -145:sc= -0.194 (180deg=-0.381) USER MOD Set 2.2: A 27 TYR OH : rot 150:sc= 0 USER MOD Set 2.3: A 60 HIS : no HE2:sc= -1.98 K(o=-2.2,f=-3.9!) USER MOD Set 3.1: A 14 THR OG1 : rot -41:sc= -0.0391 USER MOD Set 3.2: A 16 SER OG : rot -74:sc= 0.167 USER MOD Single : A 21 SER OG : rot 56:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= -0.17! (180deg=-1.28) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.749 K(o=0.75,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 101:sc= 1.25 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 -152:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.16) USER MOD Single : A 44 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.2!) USER MOD Single : A 45 MET CE :methyl 172:sc= -1.21 (180deg=-1.37) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.499 K(o=0.5,f=-0.46) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= 2.25 (180deg=2.09) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -150:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 2.55 (180deg=2.55) USER MOD Single : A 74 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0047) USER MOD Single : A 77 THR OG1 : rot 60:sc= 0.287 USER MOD Single : B 29 MET CE :methyl -164:sc= -0.912 (180deg=-1.28) USER MOD Single : B 30 SER OG : rot 180:sc= 0.19 USER MOD Single : B 47 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : B 48 ASN : amide:sc= 0.162 K(o=0.16,f=-2.1) USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot -78:sc= 1.33 USER MOD Single : B 70 GLN : amide:sc= 1.18 K(o=1.2,f=-1.5!) USER MOD Single : B 75 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.04) USER MOD Single : B 81 THR OG1 : rot 74:sc= -0.728! USER MOD Single : B 83 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.093 -6.050 8.815 1.00 0.00 N ATOM 2 CA THR A 14 -15.491 -4.631 8.828 1.00 0.00 C ATOM 3 C THR A 14 -14.489 -3.782 8.058 1.00 0.00 C ATOM 4 O THR A 14 -13.404 -4.252 7.708 1.00 0.00 O ATOM 5 CB THR A 14 -15.594 -4.107 10.271 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.432 -4.495 11.011 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.840 -4.646 10.952 1.00 0.00 C ATOM 0 HA THR A 14 -16.467 -4.558 8.348 1.00 0.00 H new ATOM 0 HB THR A 14 -15.660 -3.019 10.240 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.193 -5.418 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.892 -4.263 11.971 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.724 -4.328 10.399 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.799 -5.735 10.976 1.00 0.00 H new ATOM 15 N VAL A 15 -14.863 -2.533 7.797 1.00 0.00 N ATOM 16 CA VAL A 15 -14.009 -1.604 7.066 1.00 0.00 C ATOM 17 C VAL A 15 -12.687 -1.391 7.799 1.00 0.00 C ATOM 18 O VAL A 15 -11.623 -1.368 7.183 1.00 0.00 O ATOM 19 CB VAL A 15 -14.704 -0.241 6.857 1.00 0.00 C ATOM 20 CG1 VAL A 15 -13.818 0.710 6.066 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.038 -0.428 6.156 1.00 0.00 C ATOM 0 H VAL A 15 -15.759 -2.139 8.084 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.813 -2.048 6.090 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.882 0.200 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.333 1.662 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.886 0.874 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.600 0.277 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.515 0.542 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.876 -0.896 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.682 -1.065 6.763 1.00 0.00 H new ATOM 31 N SER A 16 -12.769 -1.261 9.117 1.00 0.00 N ATOM 32 CA SER A 16 -11.595 -1.052 9.951 1.00 0.00 C ATOM 33 C SER A 16 -10.575 -2.176 9.765 1.00 0.00 C ATOM 34 O SER A 16 -9.406 -1.915 9.477 1.00 0.00 O ATOM 35 CB SER A 16 -12.036 -0.958 11.410 1.00 0.00 C ATOM 36 OG SER A 16 -13.444 -1.122 11.509 1.00 0.00 O ATOM 0 H SER A 16 -13.647 -1.297 9.635 1.00 0.00 H new ATOM 0 HA SER A 16 -11.108 -0.123 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.531 -1.723 12.000 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.745 0.007 11.824 1.00 0.00 H new ATOM 0 HG SER A 16 -13.891 -0.310 11.191 1.00 0.00 H new ATOM 42 N GLU A 17 -11.035 -3.423 9.898 1.00 0.00 N ATOM 43 CA GLU A 17 -10.167 -4.595 9.747 1.00 0.00 C ATOM 44 C GLU A 17 -9.516 -4.625 8.370 1.00 0.00 C ATOM 45 O GLU A 17 -8.358 -5.007 8.228 1.00 0.00 O ATOM 46 CB GLU A 17 -10.965 -5.889 9.911 1.00 0.00 C ATOM 47 CG GLU A 17 -11.644 -6.062 11.254 1.00 0.00 C ATOM 48 CD GLU A 17 -12.501 -7.310 11.282 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.526 -7.344 10.571 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.142 -8.272 11.992 1.00 0.00 O ATOM 0 H GLU A 17 -12.007 -3.648 10.111 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.402 -4.521 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.724 -5.930 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.295 -6.733 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.891 -6.118 12.040 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.262 -5.189 11.466 1.00 0.00 H new ATOM 57 N TRP A 18 -10.284 -4.233 7.364 1.00 0.00 N ATOM 58 CA TRP A 18 -9.827 -4.233 5.982 1.00 0.00 C ATOM 59 C TRP A 18 -8.807 -3.124 5.705 1.00 0.00 C ATOM 60 O TRP A 18 -7.751 -3.369 5.118 1.00 0.00 O ATOM 61 CB TRP A 18 -11.038 -4.083 5.056 1.00 0.00 C ATOM 62 CG TRP A 18 -10.706 -4.181 3.603 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.293 -5.295 2.932 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.766 -3.126 2.638 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.091 -4.995 1.607 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.374 -3.670 1.403 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.114 -1.773 2.701 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.320 -2.908 0.241 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.058 -1.019 1.546 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.665 -1.589 0.329 1.00 0.00 C ATOM 0 H TRP A 18 -11.243 -3.906 7.483 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.321 -5.180 5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.770 -4.852 5.304 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.511 -3.120 5.246 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.147 -6.268 3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.781 -5.652 0.891 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.421 -1.327 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.016 -3.344 -0.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.322 0.028 1.582 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.634 -0.974 -0.558 1.00 0.00 H new ATOM 81 N LEU A 19 -9.119 -1.915 6.138 1.00 0.00 N ATOM 82 CA LEU A 19 -8.243 -0.771 5.902 1.00 0.00 C ATOM 83 C LEU A 19 -6.968 -0.813 6.746 1.00 0.00 C ATOM 84 O LEU A 19 -5.944 -0.250 6.347 1.00 0.00 O ATOM 85 CB LEU A 19 -8.992 0.541 6.144 1.00 0.00 C ATOM 86 CG LEU A 19 -9.842 1.027 4.966 1.00 0.00 C ATOM 87 CD1 LEU A 19 -10.587 2.297 5.334 1.00 0.00 C ATOM 88 CD2 LEU A 19 -8.974 1.259 3.737 1.00 0.00 C ATOM 0 H LEU A 19 -9.971 -1.696 6.655 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.936 -0.827 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.638 0.418 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.267 1.315 6.393 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.573 0.253 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.185 2.627 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.240 2.102 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.871 3.075 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.597 1.604 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.219 2.013 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.484 0.327 3.457 1.00 0.00 H new ATOM 100 N GLU A 20 -7.009 -1.474 7.901 1.00 0.00 N ATOM 101 CA GLU A 20 -5.830 -1.547 8.764 1.00 0.00 C ATOM 102 C GLU A 20 -4.794 -2.523 8.208 1.00 0.00 C ATOM 103 O GLU A 20 -3.595 -2.272 8.313 1.00 0.00 O ATOM 104 CB GLU A 20 -6.209 -1.928 10.202 1.00 0.00 C ATOM 105 CG GLU A 20 -6.762 -3.329 10.340 1.00 0.00 C ATOM 106 CD GLU A 20 -6.776 -3.808 11.772 1.00 0.00 C ATOM 107 OE1 GLU A 20 -7.450 -3.176 12.608 1.00 0.00 O ATOM 108 OE2 GLU A 20 -6.104 -4.818 12.066 1.00 0.00 O ATOM 0 H GLU A 20 -7.832 -1.960 8.258 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.385 -0.552 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.328 -1.832 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.948 -1.218 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.776 -3.356 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.164 -4.013 9.738 1.00 0.00 H new ATOM 115 N SER A 21 -5.251 -3.619 7.602 1.00 0.00 N ATOM 116 CA SER A 21 -4.344 -4.614 7.038 1.00 0.00 C ATOM 117 C SER A 21 -3.426 -4.011 5.981 1.00 0.00 C ATOM 118 O SER A 21 -2.277 -4.429 5.838 1.00 0.00 O ATOM 119 CB SER A 21 -5.130 -5.770 6.432 1.00 0.00 C ATOM 120 OG SER A 21 -6.506 -5.448 6.298 1.00 0.00 O ATOM 0 H SER A 21 -6.241 -3.838 7.490 1.00 0.00 H new ATOM 0 HA SER A 21 -3.724 -4.983 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.717 -6.020 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.021 -6.654 7.060 1.00 0.00 H new ATOM 0 HG SER A 21 -6.600 -4.632 5.764 1.00 0.00 H new ATOM 126 N ILE A 22 -3.924 -3.023 5.245 1.00 0.00 N ATOM 127 CA ILE A 22 -3.128 -2.381 4.213 1.00 0.00 C ATOM 128 C ILE A 22 -2.482 -1.106 4.734 1.00 0.00 C ATOM 129 O ILE A 22 -1.765 -0.428 3.999 1.00 0.00 O ATOM 130 CB ILE A 22 -3.957 -2.051 2.955 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.423 -1.789 3.316 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.844 -3.183 1.947 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.252 -1.281 2.156 1.00 0.00 C ATOM 0 H ILE A 22 -4.869 -2.653 5.345 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.354 -3.096 3.935 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.559 -1.141 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.866 -2.711 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.464 -1.062 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.432 -2.942 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.800 -3.315 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.219 -4.105 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.278 -1.118 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.834 -0.342 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.242 -2.017 1.352 1.00 0.00 H new ATOM 145 N LYS A 23 -2.766 -0.777 5.997 1.00 0.00 N ATOM 146 CA LYS A 23 -2.202 0.405 6.644 1.00 0.00 C ATOM 147 C LYS A 23 -2.734 1.700 6.031 1.00 0.00 C ATOM 148 O LYS A 23 -2.040 2.711 5.997 1.00 0.00 O ATOM 149 CB LYS A 23 -0.674 0.373 6.572 1.00 0.00 C ATOM 150 CG LYS A 23 -0.025 -0.100 7.854 1.00 0.00 C ATOM 151 CD LYS A 23 0.330 1.075 8.744 1.00 0.00 C ATOM 152 CE LYS A 23 1.145 0.632 9.942 1.00 0.00 C ATOM 153 NZ LYS A 23 2.347 -0.137 9.530 1.00 0.00 N ATOM 0 H LYS A 23 -3.389 -1.320 6.594 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.512 0.385 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.369 -0.282 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.307 1.371 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.702 -0.771 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.874 -0.671 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.893 1.811 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.582 1.565 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.451 1.505 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.526 0.018 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.014 -0.191 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.065 -1.098 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.805 0.339 8.726 1.00 0.00 H new ATOM 167 N MET A 24 -3.984 1.671 5.601 1.00 0.00 N ATOM 168 CA MET A 24 -4.619 2.838 4.995 1.00 0.00 C ATOM 169 C MET A 24 -5.794 3.260 5.864 1.00 0.00 C ATOM 170 O MET A 24 -6.742 3.899 5.402 1.00 0.00 O ATOM 171 CB MET A 24 -5.102 2.504 3.581 1.00 0.00 C ATOM 172 CG MET A 24 -4.023 1.921 2.683 1.00 0.00 C ATOM 173 SD MET A 24 -2.967 3.186 1.957 1.00 0.00 S ATOM 174 CE MET A 24 -1.371 2.729 2.631 1.00 0.00 C ATOM 0 H MET A 24 -4.585 0.849 5.659 1.00 0.00 H new ATOM 0 HA MET A 24 -3.899 3.654 4.926 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.927 1.795 3.648 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.496 3.409 3.119 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.410 1.229 3.260 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.492 1.343 1.886 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.787 3.629 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.513 2.180 3.562 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.841 2.100 1.916 1.00 0.00 H new ATOM 184 N GLN A 25 -5.709 2.892 7.138 1.00 0.00 N ATOM 185 CA GLN A 25 -6.757 3.181 8.110 1.00 0.00 C ATOM 186 C GLN A 25 -7.018 4.675 8.282 1.00 0.00 C ATOM 187 O GLN A 25 -8.082 5.063 8.762 1.00 0.00 O ATOM 188 CB GLN A 25 -6.420 2.550 9.464 1.00 0.00 C ATOM 189 CG GLN A 25 -5.067 2.963 10.022 1.00 0.00 C ATOM 190 CD GLN A 25 -4.984 2.819 11.532 1.00 0.00 C ATOM 191 OE1 GLN A 25 -5.768 1.909 12.091 1.00 0.00 O flip ATOM 192 NE2 GLN A 25 -4.224 3.526 12.191 1.00 0.00 N flip ATOM 0 H GLN A 25 -4.913 2.386 7.525 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.673 2.741 7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.195 2.820 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.443 1.465 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.288 2.356 9.560 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.867 3.999 9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.636 4.216 11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.182 3.423 13.205 1.00 0.00 H new ATOM 201 N GLN A 26 -6.075 5.530 7.900 1.00 0.00 N ATOM 202 CA GLN A 26 -6.261 6.963 8.031 1.00 0.00 C ATOM 203 C GLN A 26 -7.155 7.527 6.924 1.00 0.00 C ATOM 204 O GLN A 26 -7.370 8.734 6.854 1.00 0.00 O ATOM 205 CB GLN A 26 -4.894 7.670 8.022 1.00 0.00 C ATOM 206 CG GLN A 26 -4.037 7.417 6.778 1.00 0.00 C ATOM 207 CD GLN A 26 -3.131 6.196 6.898 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.472 5.214 7.558 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.967 6.254 6.266 1.00 0.00 N ATOM 0 H GLN A 26 -5.179 5.253 7.499 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.762 7.148 8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.057 8.743 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.333 7.352 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.692 7.290 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.423 8.297 6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.719 7.085 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.319 5.468 6.317 1.00 0.00 H new ATOM 218 N TYR A 27 -7.670 6.661 6.059 1.00 0.00 N ATOM 219 CA TYR A 27 -8.536 7.102 4.969 1.00 0.00 C ATOM 220 C TYR A 27 -9.991 6.735 5.234 1.00 0.00 C ATOM 221 O TYR A 27 -10.881 7.095 4.461 1.00 0.00 O ATOM 222 CB TYR A 27 -8.067 6.506 3.639 1.00 0.00 C ATOM 223 CG TYR A 27 -6.748 7.078 3.166 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.711 8.242 2.406 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.541 6.472 3.494 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.510 8.781 1.986 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.338 7.006 3.075 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.328 8.159 2.324 1.00 0.00 C ATOM 229 OH TYR A 27 -3.133 8.694 1.914 1.00 0.00 O ATOM 0 H TYR A 27 -7.505 5.655 6.089 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.471 8.188 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.971 5.426 3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.828 6.685 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.636 8.732 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.544 5.569 4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.498 9.685 1.396 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.409 6.521 3.336 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.436 8.477 2.568 1.00 0.00 H new ATOM 239 N THR A 28 -10.230 6.041 6.343 1.00 0.00 N ATOM 240 CA THR A 28 -11.579 5.632 6.725 1.00 0.00 C ATOM 241 C THR A 28 -12.504 6.850 6.854 1.00 0.00 C ATOM 242 O THR A 28 -13.708 6.765 6.605 1.00 0.00 O ATOM 243 CB THR A 28 -11.548 4.863 8.059 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.402 4.003 8.085 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.814 4.039 8.251 1.00 0.00 C ATOM 0 H THR A 28 -9.503 5.749 6.996 1.00 0.00 H new ATOM 0 HA THR A 28 -11.967 4.980 5.943 1.00 0.00 H new ATOM 0 HB THR A 28 -11.490 5.586 8.872 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.695 4.416 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.762 3.508 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.681 4.699 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.906 3.319 7.438 1.00 0.00 H new ATOM 253 N GLU A 29 -11.909 7.983 7.220 1.00 0.00 N ATOM 254 CA GLU A 29 -12.636 9.242 7.378 1.00 0.00 C ATOM 255 C GLU A 29 -13.339 9.613 6.076 1.00 0.00 C ATOM 256 O GLU A 29 -14.528 9.934 6.062 1.00 0.00 O ATOM 257 CB GLU A 29 -11.675 10.372 7.766 1.00 0.00 C ATOM 258 CG GLU A 29 -10.625 9.977 8.790 1.00 0.00 C ATOM 259 CD GLU A 29 -9.521 11.010 8.899 1.00 0.00 C ATOM 260 OE1 GLU A 29 -9.043 11.490 7.847 1.00 0.00 O ATOM 261 OE2 GLU A 29 -9.127 11.350 10.032 1.00 0.00 O ATOM 0 H GLU A 29 -10.910 8.055 7.415 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.375 9.109 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.172 10.730 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.255 11.206 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.098 9.848 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.195 9.014 8.515 1.00 0.00 H new ATOM 268 N HIS A 30 -12.594 9.537 4.980 1.00 0.00 N ATOM 269 CA HIS A 30 -13.122 9.878 3.666 1.00 0.00 C ATOM 270 C HIS A 30 -13.976 8.748 3.115 1.00 0.00 C ATOM 271 O HIS A 30 -14.983 8.992 2.452 1.00 0.00 O ATOM 272 CB HIS A 30 -11.992 10.191 2.689 1.00 0.00 C ATOM 273 CG HIS A 30 -11.343 11.516 2.932 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.298 11.712 3.809 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.619 12.735 2.399 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.980 13.012 3.784 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.751 13.678 2.944 1.00 0.00 N ATOM 0 H HIS A 30 -11.618 9.241 4.976 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.744 10.766 3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.237 9.408 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.385 10.169 1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.388 12.940 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.194 13.459 4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -10.718 14.676 2.737 1.00 0.00 H new ATOM 285 N PHE A 31 -13.569 7.515 3.399 1.00 0.00 N ATOM 286 CA PHE A 31 -14.296 6.335 2.940 1.00 0.00 C ATOM 287 C PHE A 31 -15.759 6.402 3.363 1.00 0.00 C ATOM 288 O PHE A 31 -16.665 6.226 2.547 1.00 0.00 O ATOM 289 CB PHE A 31 -13.663 5.066 3.513 1.00 0.00 C ATOM 290 CG PHE A 31 -12.712 4.370 2.582 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.382 4.752 2.512 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.147 3.323 1.788 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.504 4.102 1.667 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.274 2.671 0.939 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.950 3.060 0.879 1.00 0.00 C ATOM 0 H PHE A 31 -12.735 7.306 3.948 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.242 6.310 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.132 5.322 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.457 4.371 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.028 5.567 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.180 3.012 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.469 4.409 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.627 1.857 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.265 2.550 0.217 1.00 0.00 H new ATOM 305 N MET A 32 -15.980 6.689 4.640 1.00 0.00 N ATOM 306 CA MET A 32 -17.327 6.770 5.186 1.00 0.00 C ATOM 307 C MET A 32 -18.042 8.040 4.742 1.00 0.00 C ATOM 308 O MET A 32 -19.260 8.040 4.570 1.00 0.00 O ATOM 309 CB MET A 32 -17.283 6.716 6.715 1.00 0.00 C ATOM 310 CG MET A 32 -16.969 5.339 7.275 1.00 0.00 C ATOM 311 SD MET A 32 -17.019 5.305 9.075 1.00 0.00 S ATOM 312 CE MET A 32 -16.664 3.577 9.379 1.00 0.00 C ATOM 0 H MET A 32 -15.240 6.870 5.318 1.00 0.00 H new ATOM 0 HA MET A 32 -17.885 5.915 4.803 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.533 7.422 7.072 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.245 7.046 7.108 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.684 4.617 6.880 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.981 5.028 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.659 3.390 10.453 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.429 2.960 8.907 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.688 3.327 8.962 1.00 0.00 H new ATOM 322 N ALA A 33 -17.291 9.112 4.522 1.00 0.00 N ATOM 323 CA ALA A 33 -17.882 10.378 4.119 1.00 0.00 C ATOM 324 C ALA A 33 -18.388 10.304 2.686 1.00 0.00 C ATOM 325 O ALA A 33 -19.335 10.995 2.312 1.00 0.00 O ATOM 326 CB ALA A 33 -16.865 11.497 4.263 1.00 0.00 C ATOM 0 H ALA A 33 -16.275 9.129 4.616 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.731 10.587 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.317 12.441 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.545 11.566 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.002 11.288 3.631 1.00 0.00 H new ATOM 332 N ALA A 34 -17.750 9.449 1.893 1.00 0.00 N ATOM 333 CA ALA A 34 -18.123 9.266 0.497 1.00 0.00 C ATOM 334 C ALA A 34 -19.371 8.399 0.364 1.00 0.00 C ATOM 335 O ALA A 34 -19.893 8.211 -0.734 1.00 0.00 O ATOM 336 CB ALA A 34 -16.967 8.656 -0.279 1.00 0.00 C ATOM 0 H ALA A 34 -16.968 8.869 2.197 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.353 10.246 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.258 8.524 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.103 9.318 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.710 7.688 0.151 1.00 0.00 H new ATOM 342 N GLY A 35 -19.838 7.864 1.485 1.00 0.00 N ATOM 343 CA GLY A 35 -21.030 7.041 1.473 1.00 0.00 C ATOM 344 C GLY A 35 -20.732 5.558 1.536 1.00 0.00 C ATOM 345 O GLY A 35 -21.650 4.737 1.555 1.00 0.00 O ATOM 0 H GLY A 35 -19.411 7.986 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.661 7.314 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.600 7.252 0.568 1.00 0.00 H new ATOM 349 N TYR A 36 -19.459 5.200 1.575 1.00 0.00 N ATOM 350 CA TYR A 36 -19.079 3.800 1.635 1.00 0.00 C ATOM 351 C TYR A 36 -18.870 3.371 3.080 1.00 0.00 C ATOM 352 O TYR A 36 -17.742 3.227 3.549 1.00 0.00 O ATOM 353 CB TYR A 36 -17.823 3.553 0.796 1.00 0.00 C ATOM 354 CG TYR A 36 -18.009 3.920 -0.660 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.840 3.169 -1.478 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.369 5.023 -1.210 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.032 3.506 -2.803 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.552 5.364 -2.537 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.387 4.602 -3.329 1.00 0.00 C ATOM 360 OH TYR A 36 -18.586 4.940 -4.647 1.00 0.00 O ATOM 0 H TYR A 36 -18.677 5.855 1.566 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.885 3.197 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.996 4.131 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.544 2.502 0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.346 2.306 -1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.718 5.623 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.686 2.912 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.044 6.222 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.793 5.403 -4.989 1.00 0.00 H new ATOM 370 N THR A 37 -19.981 3.196 3.785 1.00 0.00 N ATOM 371 CA THR A 37 -19.954 2.786 5.175 1.00 0.00 C ATOM 372 C THR A 37 -19.855 1.267 5.286 1.00 0.00 C ATOM 373 O THR A 37 -18.819 0.730 5.666 1.00 0.00 O ATOM 374 CB THR A 37 -21.218 3.273 5.904 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.335 3.250 4.999 1.00 0.00 O ATOM 376 CG2 THR A 37 -21.025 4.680 6.445 1.00 0.00 C ATOM 0 H THR A 37 -20.919 3.334 3.408 1.00 0.00 H new ATOM 0 HA THR A 37 -19.077 3.234 5.642 1.00 0.00 H new ATOM 0 HB THR A 37 -21.411 2.606 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 37 -23.140 3.559 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.933 5.001 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.191 4.689 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.812 5.361 5.621 1.00 0.00 H new ATOM 384 N ALA A 38 -20.947 0.583 4.970 1.00 0.00 N ATOM 385 CA ALA A 38 -20.983 -0.872 5.025 1.00 0.00 C ATOM 386 C ALA A 38 -20.100 -1.495 3.946 1.00 0.00 C ATOM 387 O ALA A 38 -19.898 -0.913 2.876 1.00 0.00 O ATOM 388 CB ALA A 38 -22.414 -1.363 4.889 1.00 0.00 C ATOM 0 H ALA A 38 -21.822 1.014 4.672 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.589 -1.183 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -22.431 -2.452 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -23.016 -0.959 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.824 -1.031 3.935 1.00 0.00 H new ATOM 394 N ILE A 39 -19.607 -2.696 4.230 1.00 0.00 N ATOM 395 CA ILE A 39 -18.730 -3.428 3.317 1.00 0.00 C ATOM 396 C ILE A 39 -19.381 -3.639 1.949 1.00 0.00 C ATOM 397 O ILE A 39 -18.709 -3.567 0.919 1.00 0.00 O ATOM 398 CB ILE A 39 -18.331 -4.798 3.921 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.431 -4.601 5.146 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.637 -5.680 2.889 1.00 0.00 C ATOM 401 CD1 ILE A 39 -16.085 -3.982 4.824 1.00 0.00 C ATOM 0 H ILE A 39 -19.803 -3.191 5.100 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.836 -2.821 3.177 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.245 -5.304 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.948 -3.968 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.271 -5.566 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.370 -6.633 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.309 -5.855 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.734 -5.183 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.505 -3.874 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.546 -4.624 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.234 -3.001 4.372 1.00 0.00 H new ATOM 413 N GLU A 40 -20.695 -3.855 1.938 1.00 0.00 N ATOM 414 CA GLU A 40 -21.426 -4.087 0.692 1.00 0.00 C ATOM 415 C GLU A 40 -21.297 -2.897 -0.253 1.00 0.00 C ATOM 416 O GLU A 40 -21.361 -3.051 -1.468 1.00 0.00 O ATOM 417 CB GLU A 40 -22.909 -4.349 0.963 1.00 0.00 C ATOM 418 CG GLU A 40 -23.187 -5.063 2.273 1.00 0.00 C ATOM 419 CD GLU A 40 -24.225 -4.338 3.102 1.00 0.00 C ATOM 420 OE1 GLU A 40 -24.381 -3.112 2.922 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.886 -4.988 3.935 1.00 0.00 O ATOM 0 H GLU A 40 -21.276 -3.874 2.776 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.985 -4.967 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.440 -3.397 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -23.317 -4.943 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.530 -6.077 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.262 -5.148 2.843 1.00 0.00 H new ATOM 428 N LYS A 41 -21.124 -1.711 0.311 1.00 0.00 N ATOM 429 CA LYS A 41 -20.984 -0.507 -0.491 1.00 0.00 C ATOM 430 C LYS A 41 -19.533 -0.334 -0.915 1.00 0.00 C ATOM 431 O LYS A 41 -19.246 0.092 -2.035 1.00 0.00 O ATOM 432 CB LYS A 41 -21.467 0.725 0.286 1.00 0.00 C ATOM 433 CG LYS A 41 -22.982 0.870 0.324 1.00 0.00 C ATOM 434 CD LYS A 41 -23.618 -0.051 1.355 1.00 0.00 C ATOM 435 CE LYS A 41 -25.100 -0.251 1.081 1.00 0.00 C ATOM 436 NZ LYS A 41 -25.773 -1.013 2.167 1.00 0.00 N ATOM 0 H LYS A 41 -21.077 -1.558 1.318 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.604 -0.608 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -21.091 0.670 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.037 1.619 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.241 1.904 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.392 0.649 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -23.111 -1.016 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.484 0.369 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.582 0.720 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.225 -0.780 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -26.799 -1.024 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.414 -1.989 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.577 -0.560 3.082 1.00 0.00 H new ATOM 450 N VAL A 42 -18.623 -0.694 -0.019 1.00 0.00 N ATOM 451 CA VAL A 42 -17.193 -0.589 -0.279 1.00 0.00 C ATOM 452 C VAL A 42 -16.782 -1.486 -1.446 1.00 0.00 C ATOM 453 O VAL A 42 -15.992 -1.087 -2.298 1.00 0.00 O ATOM 454 CB VAL A 42 -16.366 -0.966 0.972 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.872 -0.867 0.693 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.746 -0.084 2.151 1.00 0.00 C ATOM 0 H VAL A 42 -18.853 -1.065 0.903 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.989 0.450 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.595 -2.001 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.316 -1.138 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.607 -1.547 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.622 0.154 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.153 -0.365 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.553 0.959 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.805 -0.213 2.376 1.00 0.00 H new ATOM 466 N VAL A 43 -17.347 -2.685 -1.501 1.00 0.00 N ATOM 467 CA VAL A 43 -17.017 -3.631 -2.562 1.00 0.00 C ATOM 468 C VAL A 43 -17.626 -3.224 -3.904 1.00 0.00 C ATOM 469 O VAL A 43 -17.254 -3.761 -4.945 1.00 0.00 O ATOM 470 CB VAL A 43 -17.477 -5.067 -2.221 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.895 -5.515 -0.892 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.996 -5.168 -2.201 1.00 0.00 C ATOM 0 H VAL A 43 -18.033 -3.026 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.930 -3.614 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.106 -5.731 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.231 -6.528 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.807 -5.498 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.229 -4.841 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.290 -6.189 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.396 -4.487 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.391 -4.900 -3.181 1.00 0.00 H new ATOM 482 N GLN A 44 -18.546 -2.267 -3.883 1.00 0.00 N ATOM 483 CA GLN A 44 -19.198 -1.824 -5.109 1.00 0.00 C ATOM 484 C GLN A 44 -18.392 -0.747 -5.824 1.00 0.00 C ATOM 485 O GLN A 44 -18.602 -0.497 -7.011 1.00 0.00 O ATOM 486 CB GLN A 44 -20.612 -1.316 -4.818 1.00 0.00 C ATOM 487 CG GLN A 44 -21.612 -2.426 -4.531 1.00 0.00 C ATOM 488 CD GLN A 44 -21.836 -3.353 -5.716 1.00 0.00 C ATOM 489 OE1 GLN A 44 -20.943 -3.579 -6.533 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.032 -3.903 -5.814 1.00 0.00 N ATOM 0 H GLN A 44 -18.855 -1.786 -3.038 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.260 -2.689 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.577 -0.640 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.963 -0.734 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.261 -3.012 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -22.564 -1.982 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.748 -3.693 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.240 -4.538 -6.585 1.00 0.00 H new ATOM 499 N MET A 45 -17.479 -0.105 -5.104 1.00 0.00 N ATOM 500 CA MET A 45 -16.645 0.943 -5.689 1.00 0.00 C ATOM 501 C MET A 45 -15.687 0.372 -6.744 1.00 0.00 C ATOM 502 O MET A 45 -15.697 -0.830 -7.032 1.00 0.00 O ATOM 503 CB MET A 45 -15.857 1.679 -4.598 1.00 0.00 C ATOM 504 CG MET A 45 -14.631 0.928 -4.100 1.00 0.00 C ATOM 505 SD MET A 45 -13.609 1.917 -2.991 1.00 0.00 S ATOM 506 CE MET A 45 -14.781 2.292 -1.690 1.00 0.00 C ATOM 0 H MET A 45 -17.296 -0.290 -4.118 1.00 0.00 H new ATOM 0 HA MET A 45 -17.307 1.654 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.543 2.649 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.519 1.871 -3.754 1.00 0.00 H new ATOM 0 HG2 MET A 45 -14.950 0.023 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.032 0.612 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.263 2.777 -0.862 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.552 2.959 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.242 1.369 -1.339 1.00 0.00 H new ATOM 516 N THR A 46 -14.840 1.231 -7.288 1.00 0.00 N ATOM 517 CA THR A 46 -13.891 0.831 -8.310 1.00 0.00 C ATOM 518 C THR A 46 -12.585 1.603 -8.130 1.00 0.00 C ATOM 519 O THR A 46 -12.440 2.360 -7.169 1.00 0.00 O ATOM 520 CB THR A 46 -14.461 1.067 -9.730 1.00 0.00 C ATOM 521 OG1 THR A 46 -13.615 0.455 -10.713 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.596 2.554 -10.032 1.00 0.00 C ATOM 0 H THR A 46 -14.792 2.218 -7.035 1.00 0.00 H new ATOM 0 HA THR A 46 -13.700 -0.237 -8.201 1.00 0.00 H new ATOM 0 HB THR A 46 -15.452 0.615 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.987 0.610 -11.606 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.999 2.686 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.269 3.013 -9.308 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.617 3.029 -9.968 1.00 0.00 H new ATOM 530 N ASN A 47 -11.648 1.412 -9.053 1.00 0.00 N ATOM 531 CA ASN A 47 -10.354 2.086 -9.001 1.00 0.00 C ATOM 532 C ASN A 47 -10.536 3.599 -8.961 1.00 0.00 C ATOM 533 O ASN A 47 -9.895 4.292 -8.173 1.00 0.00 O ATOM 534 CB ASN A 47 -9.505 1.703 -10.216 1.00 0.00 C ATOM 535 CG ASN A 47 -8.739 0.408 -10.015 1.00 0.00 C ATOM 536 OD1 ASN A 47 -9.297 -0.682 -10.131 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.449 0.518 -9.731 1.00 0.00 N ATOM 0 H ASN A 47 -11.762 0.790 -9.853 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.843 1.768 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.151 1.606 -11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.800 2.507 -10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.882 -0.320 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.023 1.441 -9.643 1.00 0.00 H new ATOM 544 N ASP A 48 -11.407 4.097 -9.834 1.00 0.00 N ATOM 545 CA ASP A 48 -11.708 5.525 -9.917 1.00 0.00 C ATOM 546 C ASP A 48 -12.163 6.083 -8.572 1.00 0.00 C ATOM 547 O ASP A 48 -11.739 7.166 -8.163 1.00 0.00 O ATOM 548 CB ASP A 48 -12.799 5.766 -10.958 1.00 0.00 C ATOM 549 CG ASP A 48 -12.762 7.170 -11.522 1.00 0.00 C ATOM 550 OD1 ASP A 48 -11.966 7.414 -12.451 1.00 0.00 O ATOM 551 OD2 ASP A 48 -13.540 8.027 -11.053 1.00 0.00 O ATOM 0 H ASP A 48 -11.923 3.525 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.792 6.040 -10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.686 5.048 -11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.774 5.585 -10.506 1.00 0.00 H new ATOM 556 N ASP A 49 -13.026 5.332 -7.891 1.00 0.00 N ATOM 557 CA ASP A 49 -13.555 5.737 -6.591 1.00 0.00 C ATOM 558 C ASP A 49 -12.437 5.971 -5.590 1.00 0.00 C ATOM 559 O ASP A 49 -12.485 6.920 -4.816 1.00 0.00 O ATOM 560 CB ASP A 49 -14.509 4.678 -6.035 1.00 0.00 C ATOM 561 CG ASP A 49 -15.894 4.752 -6.641 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.655 5.676 -6.283 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.233 3.880 -7.470 1.00 0.00 O ATOM 0 H ASP A 49 -13.376 4.433 -8.222 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.098 6.670 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.091 3.688 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.585 4.797 -4.954 1.00 0.00 H new ATOM 568 N ILE A 50 -11.422 5.130 -5.629 1.00 0.00 N ATOM 569 CA ILE A 50 -10.274 5.223 -4.731 1.00 0.00 C ATOM 570 C ILE A 50 -9.623 6.581 -4.825 1.00 0.00 C ATOM 571 O ILE A 50 -9.049 7.077 -3.846 1.00 0.00 O ATOM 572 CB ILE A 50 -9.240 4.054 -4.994 1.00 0.00 C ATOM 573 CG1 ILE A 50 -9.752 2.630 -4.605 1.00 0.00 C ATOM 574 CG2 ILE A 50 -7.870 4.287 -4.286 1.00 0.00 C ATOM 575 CD1 ILE A 50 -8.885 1.448 -5.084 1.00 0.00 C ATOM 0 H ILE A 50 -11.365 4.354 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.636 5.105 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.112 4.083 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.834 2.579 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.757 2.504 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.202 3.453 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.425 5.213 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.024 4.358 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.335 0.511 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.822 1.461 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.884 1.536 -4.661 1.00 0.00 H new ATOM 587 N LYS A 51 -9.645 7.169 -6.008 1.00 0.00 N ATOM 588 CA LYS A 51 -9.032 8.474 -6.233 1.00 0.00 C ATOM 589 C LYS A 51 -10.027 9.580 -5.904 1.00 0.00 C ATOM 590 O LYS A 51 -9.671 10.618 -5.350 1.00 0.00 O ATOM 591 CB LYS A 51 -8.576 8.604 -7.686 1.00 0.00 C ATOM 592 CG LYS A 51 -7.942 7.341 -8.247 1.00 0.00 C ATOM 593 CD LYS A 51 -7.664 7.473 -9.735 1.00 0.00 C ATOM 594 CE LYS A 51 -6.437 8.328 -10.002 1.00 0.00 C ATOM 595 NZ LYS A 51 -6.227 8.555 -11.455 1.00 0.00 N ATOM 0 H LYS A 51 -10.083 6.763 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.163 8.567 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.433 8.874 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.860 9.422 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.011 7.134 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.603 6.492 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.519 6.483 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.530 7.914 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.546 9.288 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.557 7.843 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.380 9.142 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.098 7.641 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.056 9.041 -11.854 1.00 0.00 H new ATOM 609 N ARG A 52 -11.282 9.344 -6.252 1.00 0.00 N ATOM 610 CA ARG A 52 -12.351 10.304 -6.003 1.00 0.00 C ATOM 611 C ARG A 52 -12.539 10.546 -4.503 1.00 0.00 C ATOM 612 O ARG A 52 -12.853 11.659 -4.079 1.00 0.00 O ATOM 613 CB ARG A 52 -13.651 9.793 -6.633 1.00 0.00 C ATOM 614 CG ARG A 52 -14.826 10.755 -6.513 1.00 0.00 C ATOM 615 CD ARG A 52 -15.975 10.347 -7.426 1.00 0.00 C ATOM 616 NE ARG A 52 -17.240 10.953 -7.008 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.665 12.153 -7.403 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.937 12.880 -8.240 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.827 12.624 -6.963 1.00 0.00 N ATOM 0 H ARG A 52 -11.589 8.487 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.079 11.257 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.473 9.586 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.921 8.847 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.172 10.781 -5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.499 11.764 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.750 10.645 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.073 9.261 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.836 10.422 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.047 12.522 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.268 13.798 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.394 12.067 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.152 13.542 -7.265 1.00 0.00 H new ATOM 633 N ILE A 53 -12.337 9.501 -3.709 1.00 0.00 N ATOM 634 CA ILE A 53 -12.480 9.598 -2.255 1.00 0.00 C ATOM 635 C ILE A 53 -11.285 10.306 -1.607 1.00 0.00 C ATOM 636 O ILE A 53 -11.221 10.426 -0.385 1.00 0.00 O ATOM 637 CB ILE A 53 -12.669 8.214 -1.595 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.456 7.318 -1.856 1.00 0.00 C ATOM 639 CG2 ILE A 53 -13.947 7.554 -2.097 1.00 0.00 C ATOM 640 CD1 ILE A 53 -11.549 5.961 -1.192 1.00 0.00 C ATOM 0 H ILE A 53 -12.073 8.575 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.378 10.193 -2.085 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.757 8.357 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.342 7.180 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.558 7.825 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.064 6.580 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.802 8.183 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.890 7.426 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.655 5.382 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.632 6.089 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.428 5.434 -1.563 1.00 0.00 H new ATOM 652 N GLY A 54 -10.339 10.766 -2.418 1.00 0.00 N ATOM 653 CA GLY A 54 -9.190 11.463 -1.879 1.00 0.00 C ATOM 654 C GLY A 54 -7.868 10.953 -2.417 1.00 0.00 C ATOM 655 O GLY A 54 -7.230 11.628 -3.223 1.00 0.00 O ATOM 0 H GLY A 54 -10.348 10.669 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.280 12.525 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.193 11.367 -0.793 1.00 0.00 H new ATOM 659 N VAL A 55 -7.456 9.780 -1.920 1.00 0.00 N ATOM 660 CA VAL A 55 -6.201 9.109 -2.300 1.00 0.00 C ATOM 661 C VAL A 55 -5.723 9.425 -3.720 1.00 0.00 C ATOM 662 O VAL A 55 -6.181 8.825 -4.691 1.00 0.00 O ATOM 663 CB VAL A 55 -6.338 7.577 -2.176 1.00 0.00 C ATOM 664 CG1 VAL A 55 -4.973 6.912 -2.220 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.080 7.195 -0.903 1.00 0.00 C ATOM 0 H VAL A 55 -7.995 9.258 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.458 9.500 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.922 7.222 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.091 5.832 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.484 7.147 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.363 7.279 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.162 6.110 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.532 7.567 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.078 7.634 -0.918 1.00 0.00 H new ATOM 675 N ARG A 56 -4.786 10.361 -3.829 1.00 0.00 N ATOM 676 CA ARG A 56 -4.232 10.740 -5.124 1.00 0.00 C ATOM 677 C ARG A 56 -2.857 10.104 -5.321 1.00 0.00 C ATOM 678 O ARG A 56 -2.228 10.266 -6.366 1.00 0.00 O ATOM 679 CB ARG A 56 -4.140 12.270 -5.252 1.00 0.00 C ATOM 680 CG ARG A 56 -3.340 12.956 -4.144 1.00 0.00 C ATOM 681 CD ARG A 56 -1.903 13.240 -4.567 1.00 0.00 C ATOM 682 NE ARG A 56 -1.484 14.601 -4.220 1.00 0.00 N ATOM 683 CZ ARG A 56 -0.220 14.961 -3.971 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.760 14.064 -4.019 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.060 16.226 -3.680 1.00 0.00 N ATOM 0 H ARG A 56 -4.395 10.871 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.901 10.373 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.687 12.514 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.149 12.682 -5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.829 13.891 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.338 12.325 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.236 12.523 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.807 13.095 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.204 15.321 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.551 13.092 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.721 14.348 -3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.688 16.919 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.023 16.504 -3.489 1.00 0.00 H new ATOM 699 N LEU A 57 -2.404 9.376 -4.308 1.00 0.00 N ATOM 700 CA LEU A 57 -1.105 8.716 -4.351 1.00 0.00 C ATOM 701 C LEU A 57 -1.246 7.305 -4.933 1.00 0.00 C ATOM 702 O LEU A 57 -2.062 6.515 -4.462 1.00 0.00 O ATOM 703 CB LEU A 57 -0.499 8.681 -2.942 1.00 0.00 C ATOM 704 CG LEU A 57 -0.342 10.054 -2.279 1.00 0.00 C ATOM 705 CD1 LEU A 57 -0.079 9.910 -0.787 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.779 10.840 -2.939 1.00 0.00 C ATOM 0 H LEU A 57 -2.921 9.227 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.433 9.277 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.126 8.055 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.479 8.203 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.276 10.601 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.029 10.898 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.914 9.389 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.837 9.340 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.876 11.812 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.715 10.291 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.551 10.982 -3.995 1.00 0.00 H new ATOM 718 N PRO A 58 -0.447 6.982 -5.968 1.00 0.00 N ATOM 719 CA PRO A 58 -0.498 5.682 -6.663 1.00 0.00 C ATOM 720 C PRO A 58 -0.268 4.473 -5.756 1.00 0.00 C ATOM 721 O PRO A 58 -1.049 3.524 -5.776 1.00 0.00 O ATOM 722 CB PRO A 58 0.621 5.778 -7.709 1.00 0.00 C ATOM 723 CG PRO A 58 1.490 6.901 -7.253 1.00 0.00 C ATOM 724 CD PRO A 58 0.580 7.863 -6.550 1.00 0.00 C ATOM 0 HA PRO A 58 -1.492 5.516 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.183 4.846 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.216 5.972 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.272 6.543 -6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.987 7.379 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.107 8.430 -5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.147 8.587 -7.240 1.00 0.00 H new ATOM 732 N GLY A 59 0.801 4.506 -4.972 1.00 0.00 N ATOM 733 CA GLY A 59 1.102 3.396 -4.080 1.00 0.00 C ATOM 734 C GLY A 59 0.015 3.194 -3.039 1.00 0.00 C ATOM 735 O GLY A 59 -0.331 2.062 -2.693 1.00 0.00 O ATOM 0 H GLY A 59 1.466 5.279 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.220 2.483 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.053 3.580 -3.580 1.00 0.00 H new ATOM 739 N HIS A 60 -0.524 4.305 -2.544 1.00 0.00 N ATOM 740 CA HIS A 60 -1.596 4.270 -1.554 1.00 0.00 C ATOM 741 C HIS A 60 -2.840 3.670 -2.193 1.00 0.00 C ATOM 742 O HIS A 60 -3.670 3.051 -1.530 1.00 0.00 O ATOM 743 CB HIS A 60 -1.901 5.683 -1.046 1.00 0.00 C ATOM 744 CG HIS A 60 -1.056 6.123 0.112 1.00 0.00 C ATOM 745 ND1 HIS A 60 0.197 6.688 -0.008 1.00 0.00 N ATOM 746 CD2 HIS A 60 -1.323 6.096 1.440 1.00 0.00 C ATOM 747 CE1 HIS A 60 0.635 6.982 1.224 1.00 0.00 C ATOM 748 NE2 HIS A 60 -0.250 6.642 2.137 1.00 0.00 N ATOM 0 H HIS A 60 -0.234 5.245 -2.814 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.284 3.660 -0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.766 6.388 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.950 5.732 -0.753 1.00 0.00 H new ATOM 0 HD1 HIS A 60 0.701 6.853 -0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.227 5.711 1.887 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.590 7.438 1.440 1.00 0.00 H new ATOM 756 N GLN A 61 -2.938 3.849 -3.506 1.00 0.00 N ATOM 757 CA GLN A 61 -4.057 3.316 -4.270 1.00 0.00 C ATOM 758 C GLN A 61 -3.885 1.811 -4.419 1.00 0.00 C ATOM 759 O GLN A 61 -4.765 1.040 -4.046 1.00 0.00 O ATOM 760 CB GLN A 61 -4.145 3.974 -5.648 1.00 0.00 C ATOM 761 CG GLN A 61 -4.935 5.270 -5.662 1.00 0.00 C ATOM 762 CD GLN A 61 -4.581 6.153 -6.844 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.169 5.669 -7.897 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.753 7.455 -6.685 1.00 0.00 N ATOM 0 H GLN A 61 -2.254 4.361 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.983 3.532 -3.737 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.136 4.171 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.603 3.273 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.001 5.042 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.749 5.815 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.097 7.819 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.542 8.095 -7.451 1.00 0.00 H new ATOM 773 N LYS A 62 -2.758 1.434 -5.034 1.00 0.00 N ATOM 774 CA LYS A 62 -2.369 0.030 -5.239 1.00 0.00 C ATOM 775 C LYS A 62 -2.815 -0.875 -4.092 1.00 0.00 C ATOM 776 O LYS A 62 -3.443 -1.908 -4.322 1.00 0.00 O ATOM 777 CB LYS A 62 -0.850 -0.081 -5.399 1.00 0.00 C ATOM 778 CG LYS A 62 -0.350 0.235 -6.796 1.00 0.00 C ATOM 779 CD LYS A 62 1.154 0.043 -6.894 1.00 0.00 C ATOM 780 CE LYS A 62 1.602 -0.111 -8.336 1.00 0.00 C ATOM 781 NZ LYS A 62 3.075 -0.252 -8.442 1.00 0.00 N ATOM 0 H LYS A 62 -2.082 2.100 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.872 -0.304 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.370 0.595 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.540 -1.092 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.850 -0.409 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.606 1.263 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.661 0.896 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.447 -0.839 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.120 -0.985 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.277 0.755 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.310 -0.818 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.509 0.689 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.440 -0.726 -7.592 1.00 0.00 H new ATOM 795 N ARG A 63 -2.472 -0.489 -2.866 1.00 0.00 N ATOM 796 CA ARG A 63 -2.845 -1.262 -1.680 1.00 0.00 C ATOM 797 C ARG A 63 -4.353 -1.488 -1.623 1.00 0.00 C ATOM 798 O ARG A 63 -4.819 -2.627 -1.554 1.00 0.00 O ATOM 799 CB ARG A 63 -2.384 -0.547 -0.407 1.00 0.00 C ATOM 800 CG ARG A 63 -1.178 -1.194 0.254 1.00 0.00 C ATOM 801 CD ARG A 63 0.110 -0.855 -0.477 1.00 0.00 C ATOM 802 NE ARG A 63 1.248 -1.618 0.037 1.00 0.00 N ATOM 803 CZ ARG A 63 1.873 -1.346 1.184 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.489 -0.331 1.944 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.897 -2.088 1.574 1.00 0.00 N ATOM 0 H ARG A 63 -1.936 0.355 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.350 -2.231 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.143 0.488 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.209 -0.524 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.108 -0.861 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.311 -2.276 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.012 -1.058 -1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.314 0.211 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 63 1.584 -2.407 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.706 0.255 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.977 -0.135 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.210 -2.869 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.374 -1.879 2.451 1.00 0.00 H new ATOM 819 N ILE A 64 -5.099 -0.392 -1.658 1.00 0.00 N ATOM 820 CA ILE A 64 -6.554 -0.442 -1.612 1.00 0.00 C ATOM 821 C ILE A 64 -7.110 -1.245 -2.790 1.00 0.00 C ATOM 822 O ILE A 64 -7.991 -2.087 -2.614 1.00 0.00 O ATOM 823 CB ILE A 64 -7.167 0.980 -1.611 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.609 1.792 -0.438 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.690 0.914 -1.535 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.999 3.255 -0.465 1.00 0.00 C ATOM 0 H ILE A 64 -4.716 0.551 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.832 -0.939 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.895 1.474 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.957 1.350 0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.522 1.716 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.098 1.925 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.074 0.367 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.987 0.403 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.566 3.763 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.627 3.714 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.085 3.343 -0.430 1.00 0.00 H new ATOM 838 N ALA A 65 -6.571 -0.996 -3.980 1.00 0.00 N ATOM 839 CA ALA A 65 -7.007 -1.685 -5.193 1.00 0.00 C ATOM 840 C ALA A 65 -6.806 -3.197 -5.082 1.00 0.00 C ATOM 841 O ALA A 65 -7.720 -3.972 -5.366 1.00 0.00 O ATOM 842 CB ALA A 65 -6.260 -1.139 -6.402 1.00 0.00 C ATOM 0 H ALA A 65 -5.825 -0.317 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.074 -1.501 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.592 -1.659 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.463 -0.073 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.189 -1.294 -6.268 1.00 0.00 H new ATOM 848 N TYR A 66 -5.612 -3.604 -4.663 1.00 0.00 N ATOM 849 CA TYR A 66 -5.283 -5.019 -4.505 1.00 0.00 C ATOM 850 C TYR A 66 -6.256 -5.684 -3.531 1.00 0.00 C ATOM 851 O TYR A 66 -6.837 -6.732 -3.825 1.00 0.00 O ATOM 852 CB TYR A 66 -3.837 -5.160 -4.001 1.00 0.00 C ATOM 853 CG TYR A 66 -3.263 -6.562 -4.060 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.695 -7.492 -4.999 1.00 0.00 C ATOM 855 CD2 TYR A 66 -2.271 -6.945 -3.167 1.00 0.00 C ATOM 856 CE1 TYR A 66 -3.153 -8.763 -5.043 1.00 0.00 C ATOM 857 CE2 TYR A 66 -1.724 -8.213 -3.204 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.170 -9.120 -4.144 1.00 0.00 C ATOM 859 OH TYR A 66 -1.629 -10.385 -4.190 1.00 0.00 O ATOM 0 H TYR A 66 -4.850 -2.969 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.372 -5.517 -5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.199 -4.499 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.794 -4.811 -2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.465 -7.217 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.920 -6.238 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.498 -9.474 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.952 -8.493 -2.502 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.949 -10.475 -3.490 1.00 0.00 H new ATOM 869 N SER A 67 -6.439 -5.052 -2.382 1.00 0.00 N ATOM 870 CA SER A 67 -7.343 -5.559 -1.359 1.00 0.00 C ATOM 871 C SER A 67 -8.803 -5.553 -1.829 1.00 0.00 C ATOM 872 O SER A 67 -9.599 -6.387 -1.392 1.00 0.00 O ATOM 873 CB SER A 67 -7.186 -4.746 -0.077 1.00 0.00 C ATOM 874 OG SER A 67 -5.930 -4.997 0.523 1.00 0.00 O ATOM 0 H SER A 67 -5.970 -4.181 -2.133 1.00 0.00 H new ATOM 0 HA SER A 67 -7.075 -6.597 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.282 -3.683 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.985 -4.999 0.620 1.00 0.00 H new ATOM 0 HG SER A 67 -6.004 -4.891 1.494 1.00 0.00 H new ATOM 880 N LEU A 68 -9.157 -4.620 -2.713 1.00 0.00 N ATOM 881 CA LEU A 68 -10.518 -4.538 -3.238 1.00 0.00 C ATOM 882 C LEU A 68 -10.844 -5.762 -4.082 1.00 0.00 C ATOM 883 O LEU A 68 -11.963 -6.277 -4.041 1.00 0.00 O ATOM 884 CB LEU A 68 -10.696 -3.278 -4.090 1.00 0.00 C ATOM 885 CG LEU A 68 -11.269 -2.060 -3.361 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.190 -0.829 -4.250 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.710 -2.318 -2.940 1.00 0.00 C ATOM 0 H LEU A 68 -8.521 -3.912 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.198 -4.496 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.728 -3.005 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.350 -3.518 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.675 -1.882 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.601 0.030 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.149 -0.633 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.763 -1.001 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.101 -1.441 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.317 -2.519 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.745 -3.179 -2.272 1.00 0.00 H new ATOM 899 N LEU A 69 -9.851 -6.224 -4.841 1.00 0.00 N ATOM 900 CA LEU A 69 -10.012 -7.392 -5.704 1.00 0.00 C ATOM 901 C LEU A 69 -10.391 -8.612 -4.876 1.00 0.00 C ATOM 902 O LEU A 69 -11.199 -9.439 -5.298 1.00 0.00 O ATOM 903 CB LEU A 69 -8.719 -7.667 -6.476 1.00 0.00 C ATOM 904 CG LEU A 69 -8.219 -6.515 -7.351 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.818 -6.810 -7.861 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.168 -6.269 -8.516 1.00 0.00 C ATOM 0 H LEU A 69 -8.922 -5.804 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.811 -7.187 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.937 -7.924 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.873 -8.541 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.187 -5.611 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.475 -5.982 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.142 -6.934 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.831 -7.726 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.792 -5.446 -9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.236 -7.169 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.156 -6.015 -8.133 1.00 0.00 H new ATOM 918 N GLY A 70 -9.806 -8.706 -3.688 1.00 0.00 N ATOM 919 CA GLY A 70 -10.095 -9.815 -2.804 1.00 0.00 C ATOM 920 C GLY A 70 -11.508 -9.747 -2.262 1.00 0.00 C ATOM 921 O GLY A 70 -12.204 -10.757 -2.199 1.00 0.00 O ATOM 0 H GLY A 70 -9.135 -8.031 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.956 -10.754 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.387 -9.814 -1.975 1.00 0.00 H new ATOM 925 N LEU A 71 -11.933 -8.546 -1.881 1.00 0.00 N ATOM 926 CA LEU A 71 -13.275 -8.339 -1.349 1.00 0.00 C ATOM 927 C LEU A 71 -14.335 -8.688 -2.387 1.00 0.00 C ATOM 928 O LEU A 71 -15.332 -9.343 -2.074 1.00 0.00 O ATOM 929 CB LEU A 71 -13.462 -6.889 -0.897 1.00 0.00 C ATOM 930 CG LEU A 71 -13.155 -6.610 0.576 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.523 -5.178 0.929 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.901 -7.586 1.475 1.00 0.00 C ATOM 0 H LEU A 71 -11.366 -7.700 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.392 -8.999 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.824 -6.251 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.492 -6.595 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.085 -6.746 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.299 -4.993 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.947 -4.491 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.587 -5.021 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.669 -7.370 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.974 -7.482 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.595 -8.605 1.239 1.00 0.00 H new ATOM 944 N LYS A 72 -14.113 -8.251 -3.622 1.00 0.00 N ATOM 945 CA LYS A 72 -15.047 -8.521 -4.707 1.00 0.00 C ATOM 946 C LYS A 72 -15.148 -10.023 -4.960 1.00 0.00 C ATOM 947 O LYS A 72 -16.238 -10.555 -5.173 1.00 0.00 O ATOM 948 CB LYS A 72 -14.616 -7.786 -5.981 1.00 0.00 C ATOM 949 CG LYS A 72 -14.703 -6.270 -5.867 1.00 0.00 C ATOM 950 CD LYS A 72 -14.202 -5.584 -7.130 1.00 0.00 C ATOM 951 CE LYS A 72 -14.320 -4.069 -7.038 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.728 -3.607 -7.165 1.00 0.00 N ATOM 0 H LYS A 72 -13.294 -7.708 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.032 -8.154 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.591 -8.066 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.241 -8.116 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.736 -5.977 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.116 -5.934 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.161 -5.857 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.772 -5.941 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.913 -3.732 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.717 -3.611 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.761 -2.570 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.110 -3.905 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.300 -4.022 -6.402 1.00 0.00 H new ATOM 966 N ASP A 73 -14.009 -10.702 -4.928 1.00 0.00 N ATOM 967 CA ASP A 73 -13.970 -12.146 -5.135 1.00 0.00 C ATOM 968 C ASP A 73 -14.617 -12.877 -3.960 1.00 0.00 C ATOM 969 O ASP A 73 -15.332 -13.864 -4.143 1.00 0.00 O ATOM 970 CB ASP A 73 -12.526 -12.620 -5.315 1.00 0.00 C ATOM 971 CG ASP A 73 -12.277 -13.215 -6.685 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.346 -12.467 -7.687 1.00 0.00 O ATOM 973 OD2 ASP A 73 -12.003 -14.429 -6.770 1.00 0.00 O ATOM 0 H ASP A 73 -13.097 -10.276 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.533 -12.376 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.849 -11.780 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.293 -13.363 -4.552 1.00 0.00 H new ATOM 978 N GLN A 74 -14.374 -12.373 -2.755 1.00 0.00 N ATOM 979 CA GLN A 74 -14.925 -12.971 -1.543 1.00 0.00 C ATOM 980 C GLN A 74 -16.448 -12.904 -1.525 1.00 0.00 C ATOM 981 O GLN A 74 -17.109 -13.878 -1.178 1.00 0.00 O ATOM 982 CB GLN A 74 -14.376 -12.275 -0.299 1.00 0.00 C ATOM 983 CG GLN A 74 -13.189 -12.988 0.331 1.00 0.00 C ATOM 984 CD GLN A 74 -12.828 -12.419 1.689 1.00 0.00 C ATOM 985 OE1 GLN A 74 -13.686 -11.912 2.414 1.00 0.00 O ATOM 986 NE2 GLN A 74 -11.560 -12.511 2.050 1.00 0.00 N ATOM 0 H GLN A 74 -13.797 -11.548 -2.591 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.623 -14.018 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.080 -11.260 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.172 -12.192 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.418 -14.049 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.328 -12.911 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.880 -12.938 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.261 -12.155 2.958 1.00 0.00 H new ATOM 995 N VAL A 75 -17.008 -11.763 -1.922 1.00 0.00 N ATOM 996 CA VAL A 75 -18.458 -11.593 -1.925 1.00 0.00 C ATOM 997 C VAL A 75 -19.105 -12.411 -3.045 1.00 0.00 C ATOM 998 O VAL A 75 -20.324 -12.587 -3.083 1.00 0.00 O ATOM 999 CB VAL A 75 -18.852 -10.098 -2.056 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.749 -9.614 -3.495 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.251 -9.858 -1.505 1.00 0.00 C ATOM 0 H VAL A 75 -16.484 -10.949 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.830 -11.960 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.143 -9.519 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.033 -8.563 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.724 -9.731 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.417 -10.201 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.506 -8.803 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.969 -10.461 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.280 -10.138 -0.452 1.00 0.00 H new ATOM 1011 N ASN A 76 -18.278 -12.920 -3.950 1.00 0.00 N ATOM 1012 CA ASN A 76 -18.765 -13.729 -5.058 1.00 0.00 C ATOM 1013 C ASN A 76 -18.677 -15.210 -4.715 1.00 0.00 C ATOM 1014 O ASN A 76 -19.132 -16.064 -5.477 1.00 0.00 O ATOM 1015 CB ASN A 76 -17.970 -13.441 -6.336 1.00 0.00 C ATOM 1016 CG ASN A 76 -18.626 -12.382 -7.202 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -19.508 -12.681 -8.006 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -18.196 -11.139 -7.052 1.00 0.00 N ATOM 0 H ASN A 76 -17.267 -12.786 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.809 -13.467 -5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.965 -13.116 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -17.865 -14.362 -6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.598 -10.389 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.463 -10.931 -6.374 1.00 0.00 H new ATOM 1025 N THR A 77 -18.094 -15.509 -3.563 1.00 0.00 N ATOM 1026 CA THR A 77 -17.951 -16.884 -3.120 1.00 0.00 C ATOM 1027 C THR A 77 -19.219 -17.349 -2.407 1.00 0.00 C ATOM 1028 O THR A 77 -19.726 -16.668 -1.515 1.00 0.00 O ATOM 1029 CB THR A 77 -16.736 -17.045 -2.181 1.00 0.00 C ATOM 1030 OG1 THR A 77 -15.553 -16.543 -2.820 1.00 0.00 O ATOM 1031 CG2 THR A 77 -16.527 -18.505 -1.804 1.00 0.00 C ATOM 0 H THR A 77 -17.713 -14.816 -2.919 1.00 0.00 H new ATOM 0 HA THR A 77 -17.788 -17.502 -4.003 1.00 0.00 H new ATOM 0 HB THR A 77 -16.933 -16.476 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.675 -15.595 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.665 -18.590 -1.142 1.00 0.00 H new ATOM 0 HG22 THR A 77 -17.414 -18.880 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.352 -19.092 -2.706 1.00 0.00 H new ATOM 1064 N MET B 29 9.785 3.672 9.111 1.00 0.00 N ATOM 1065 CA MET B 29 10.640 2.504 8.984 1.00 0.00 C ATOM 1066 C MET B 29 12.091 2.921 8.766 1.00 0.00 C ATOM 1067 O MET B 29 12.912 2.132 8.297 1.00 0.00 O ATOM 1068 CB MET B 29 10.161 1.594 7.843 1.00 0.00 C ATOM 1069 CG MET B 29 10.229 2.226 6.459 1.00 0.00 C ATOM 1070 SD MET B 29 8.821 3.296 6.111 1.00 0.00 S ATOM 1071 CE MET B 29 9.026 3.545 4.351 1.00 0.00 C ATOM 0 HA MET B 29 10.581 1.939 9.914 1.00 0.00 H new ATOM 0 HB2 MET B 29 10.763 0.685 7.843 1.00 0.00 H new ATOM 0 HB3 MET B 29 9.132 1.295 8.042 1.00 0.00 H new ATOM 0 HG2 MET B 29 11.149 2.804 6.373 1.00 0.00 H new ATOM 0 HG3 MET B 29 10.276 1.439 5.707 1.00 0.00 H new ATOM 0 HE1 MET B 29 8.422 4.394 4.031 1.00 0.00 H new ATOM 0 HE2 MET B 29 10.075 3.742 4.131 1.00 0.00 H new ATOM 0 HE3 MET B 29 8.705 2.650 3.817 1.00 0.00 H new ATOM 1081 N SER B 30 12.401 4.167 9.110 1.00 0.00 N ATOM 1082 CA SER B 30 13.755 4.693 8.980 1.00 0.00 C ATOM 1083 C SER B 30 14.720 3.855 9.806 1.00 0.00 C ATOM 1084 O SER B 30 15.747 3.399 9.308 1.00 0.00 O ATOM 1085 CB SER B 30 13.785 6.146 9.442 1.00 0.00 C ATOM 1086 OG SER B 30 12.515 6.532 9.944 1.00 0.00 O ATOM 0 H SER B 30 11.727 4.835 9.484 1.00 0.00 H new ATOM 0 HA SER B 30 14.062 4.647 7.935 1.00 0.00 H new ATOM 0 HB2 SER B 30 14.543 6.273 10.215 1.00 0.00 H new ATOM 0 HB3 SER B 30 14.067 6.793 8.611 1.00 0.00 H new ATOM 0 HG SER B 30 12.550 7.466 10.238 1.00 0.00 H new ATOM 1092 N ALA B 31 14.384 3.694 11.086 1.00 0.00 N ATOM 1093 CA ALA B 31 15.177 2.876 12.003 1.00 0.00 C ATOM 1094 C ALA B 31 15.427 1.489 11.413 1.00 0.00 C ATOM 1095 O ALA B 31 16.470 0.881 11.653 1.00 0.00 O ATOM 1096 CB ALA B 31 14.480 2.760 13.350 1.00 0.00 C ATOM 0 H ALA B 31 13.563 4.122 11.513 1.00 0.00 H new ATOM 0 HA ALA B 31 16.140 3.365 12.150 1.00 0.00 H new ATOM 0 HB1 ALA B 31 15.083 2.148 14.020 1.00 0.00 H new ATOM 0 HB2 ALA B 31 14.353 3.753 13.781 1.00 0.00 H new ATOM 0 HB3 ALA B 31 13.503 2.295 13.215 1.00 0.00 H new ATOM 1102 N TRP B 32 14.467 1.004 10.635 1.00 0.00 N ATOM 1103 CA TRP B 32 14.584 -0.294 9.989 1.00 0.00 C ATOM 1104 C TRP B 32 15.544 -0.203 8.804 1.00 0.00 C ATOM 1105 O TRP B 32 16.453 -1.019 8.666 1.00 0.00 O ATOM 1106 CB TRP B 32 13.203 -0.781 9.531 1.00 0.00 C ATOM 1107 CG TRP B 32 13.259 -1.946 8.594 1.00 0.00 C ATOM 1108 CD1 TRP B 32 13.650 -3.218 8.894 1.00 0.00 C ATOM 1109 CD2 TRP B 32 12.910 -1.948 7.203 1.00 0.00 C ATOM 1110 NE1 TRP B 32 13.571 -4.008 7.775 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.120 -3.254 6.725 1.00 0.00 C ATOM 1112 CE3 TRP B 32 12.444 -0.974 6.317 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 12.878 -3.611 5.401 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 12.204 -1.330 5.002 1.00 0.00 C ATOM 1115 CH2 TRP B 32 12.422 -2.638 4.556 1.00 0.00 C ATOM 0 H TRP B 32 13.595 1.494 10.437 1.00 0.00 H new ATOM 0 HA TRP B 32 14.983 -1.014 10.704 1.00 0.00 H new ATOM 0 HB2 TRP B 32 12.616 -1.058 10.407 1.00 0.00 H new ATOM 0 HB3 TRP B 32 12.680 0.042 9.044 1.00 0.00 H new ATOM 0 HD1 TRP B 32 13.974 -3.554 9.868 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.810 -4.999 7.732 1.00 0.00 H new ATOM 0 HE3 TRP B 32 12.274 0.038 6.652 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.045 -4.620 5.054 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 11.842 -0.586 4.308 1.00 0.00 H new ATOM 0 HH2 TRP B 32 12.226 -2.884 3.523 1.00 0.00 H new ATOM 1126 N LEU B 33 15.342 0.806 7.959 1.00 0.00 N ATOM 1127 CA LEU B 33 16.193 1.019 6.794 1.00 0.00 C ATOM 1128 C LEU B 33 17.638 1.244 7.228 1.00 0.00 C ATOM 1129 O LEU B 33 18.575 0.865 6.523 1.00 0.00 O ATOM 1130 CB LEU B 33 15.692 2.210 5.978 1.00 0.00 C ATOM 1131 CG LEU B 33 14.401 1.964 5.195 1.00 0.00 C ATOM 1132 CD1 LEU B 33 13.757 3.282 4.805 1.00 0.00 C ATOM 1133 CD2 LEU B 33 14.677 1.124 3.958 1.00 0.00 C ATOM 0 H LEU B 33 14.593 1.491 8.062 1.00 0.00 H new ATOM 0 HA LEU B 33 16.152 0.128 6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.535 3.052 6.652 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.473 2.505 5.277 1.00 0.00 H new ATOM 0 HG LEU B 33 13.711 1.417 5.837 1.00 0.00 H new ATOM 0 HD11 LEU B 33 12.840 3.088 4.249 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.523 3.852 5.704 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.445 3.853 4.182 1.00 0.00 H new ATOM 0 HD21 LEU B 33 13.746 0.960 3.415 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.386 1.646 3.315 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.097 0.163 4.257 1.00 0.00 H new ATOM 1145 N ARG B 34 17.803 1.918 8.368 1.00 0.00 N ATOM 1146 CA ARG B 34 19.119 2.180 8.968 1.00 0.00 C ATOM 1147 C ARG B 34 19.979 0.916 9.127 1.00 0.00 C ATOM 1148 O ARG B 34 21.149 1.007 9.497 1.00 0.00 O ATOM 1149 CB ARG B 34 18.933 2.832 10.341 1.00 0.00 C ATOM 1150 CG ARG B 34 19.807 4.053 10.566 1.00 0.00 C ATOM 1151 CD ARG B 34 19.262 5.268 9.838 1.00 0.00 C ATOM 1152 NE ARG B 34 18.581 6.197 10.738 1.00 0.00 N ATOM 1153 CZ ARG B 34 18.555 7.521 10.569 1.00 0.00 C ATOM 1154 NH1 ARG B 34 19.155 8.083 9.525 1.00 0.00 N ATOM 1155 NH2 ARG B 34 17.921 8.284 11.444 1.00 0.00 N ATOM 0 H ARG B 34 17.025 2.301 8.906 1.00 0.00 H new ATOM 0 HA ARG B 34 19.647 2.844 8.284 1.00 0.00 H new ATOM 0 HB2 ARG B 34 17.888 3.119 10.457 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.149 2.095 11.115 1.00 0.00 H new ATOM 0 HG2 ARG B 34 19.870 4.265 11.633 1.00 0.00 H new ATOM 0 HG3 ARG B 34 20.820 3.845 10.222 1.00 0.00 H new ATOM 0 HD2 ARG B 34 20.080 5.785 9.337 1.00 0.00 H new ATOM 0 HD3 ARG B 34 18.568 4.943 9.063 1.00 0.00 H new ATOM 0 HE ARG B 34 18.095 5.809 11.546 1.00 0.00 H new ATOM 0 HH11 ARG B 34 19.642 7.502 8.843 1.00 0.00 H new ATOM 0 HH12 ARG B 34 19.129 9.096 9.406 1.00 0.00 H new ATOM 0 HH21 ARG B 34 17.453 7.860 12.246 1.00 0.00 H new ATOM 0 HH22 ARG B 34 17.900 9.296 11.317 1.00 0.00 H new ATOM 1169 N ALA B 35 19.414 -0.254 8.855 1.00 0.00 N ATOM 1170 CA ALA B 35 20.160 -1.500 8.965 1.00 0.00 C ATOM 1171 C ALA B 35 21.072 -1.670 7.755 1.00 0.00 C ATOM 1172 O ALA B 35 22.065 -2.395 7.804 1.00 0.00 O ATOM 1173 CB ALA B 35 19.209 -2.682 9.085 1.00 0.00 C ATOM 0 H ALA B 35 18.445 -0.365 8.558 1.00 0.00 H new ATOM 0 HA ALA B 35 20.774 -1.463 9.865 1.00 0.00 H new ATOM 0 HB1 ALA B 35 19.784 -3.605 9.166 1.00 0.00 H new ATOM 0 HB2 ALA B 35 18.589 -2.561 9.973 1.00 0.00 H new ATOM 0 HB3 ALA B 35 18.572 -2.728 8.202 1.00 0.00 H new ATOM 1179 N ILE B 36 20.722 -0.987 6.669 1.00 0.00 N ATOM 1180 CA ILE B 36 21.496 -1.040 5.432 1.00 0.00 C ATOM 1181 C ILE B 36 21.733 0.367 4.884 1.00 0.00 C ATOM 1182 O ILE B 36 22.026 0.540 3.700 1.00 0.00 O ATOM 1183 CB ILE B 36 20.781 -1.882 4.352 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.347 -1.384 4.151 1.00 0.00 C ATOM 1185 CG2 ILE B 36 20.789 -3.357 4.731 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.790 -1.679 2.777 1.00 0.00 C ATOM 0 H ILE B 36 19.900 -0.385 6.621 1.00 0.00 H new ATOM 0 HA ILE B 36 22.450 -1.509 5.672 1.00 0.00 H new ATOM 0 HB ILE B 36 21.320 -1.769 3.412 1.00 0.00 H new ATOM 0 HG12 ILE B 36 18.703 -1.844 4.901 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.318 -0.308 4.322 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.281 -3.934 3.958 1.00 0.00 H new ATOM 0 HG22 ILE B 36 21.818 -3.703 4.824 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.273 -3.491 5.682 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.771 -1.298 2.708 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.410 -1.197 2.022 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.786 -2.756 2.609 1.00 0.00 H new ATOM 1198 N GLY B 37 21.647 1.357 5.771 1.00 0.00 N ATOM 1199 CA GLY B 37 21.828 2.752 5.382 1.00 0.00 C ATOM 1200 C GLY B 37 20.990 3.159 4.179 1.00 0.00 C ATOM 1201 O GLY B 37 21.507 3.749 3.228 1.00 0.00 O ATOM 0 H GLY B 37 21.453 1.218 6.763 1.00 0.00 H new ATOM 0 HA2 GLY B 37 21.573 3.393 6.226 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.880 2.925 5.157 1.00 0.00 H new ATOM 1205 N LEU B 38 19.702 2.842 4.213 1.00 0.00 N ATOM 1206 CA LEU B 38 18.813 3.180 3.103 1.00 0.00 C ATOM 1207 C LEU B 38 17.645 4.052 3.566 1.00 0.00 C ATOM 1208 O LEU B 38 16.633 4.175 2.872 1.00 0.00 O ATOM 1209 CB LEU B 38 18.293 1.903 2.438 1.00 0.00 C ATOM 1210 CG LEU B 38 17.898 2.050 0.966 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.132 2.243 0.096 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.102 0.840 0.504 1.00 0.00 C ATOM 0 H LEU B 38 19.251 2.356 4.988 1.00 0.00 H new ATOM 0 HA LEU B 38 19.387 3.754 2.376 1.00 0.00 H new ATOM 0 HB2 LEU B 38 19.060 1.133 2.517 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.427 1.548 2.997 1.00 0.00 H new ATOM 0 HG LEU B 38 17.268 2.934 0.867 1.00 0.00 H new ATOM 0 HD11 LEU B 38 18.830 2.345 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU B 38 19.662 3.142 0.410 1.00 0.00 H new ATOM 0 HD13 LEU B 38 19.789 1.380 0.200 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.830 0.962 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.707 -0.059 0.620 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.197 0.748 1.105 1.00 0.00 H new ATOM 1224 N GLU B 39 17.791 4.661 4.740 1.00 0.00 N ATOM 1225 CA GLU B 39 16.757 5.532 5.310 1.00 0.00 C ATOM 1226 C GLU B 39 16.398 6.691 4.378 1.00 0.00 C ATOM 1227 O GLU B 39 15.314 7.265 4.478 1.00 0.00 O ATOM 1228 CB GLU B 39 17.224 6.094 6.653 1.00 0.00 C ATOM 1229 CG GLU B 39 18.440 7.003 6.539 1.00 0.00 C ATOM 1230 CD GLU B 39 19.741 6.279 6.810 1.00 0.00 C ATOM 1231 OE1 GLU B 39 19.902 5.140 6.330 1.00 0.00 O ATOM 1232 OE2 GLU B 39 20.596 6.843 7.524 1.00 0.00 O ATOM 0 H GLU B 39 18.623 4.568 5.323 1.00 0.00 H new ATOM 0 HA GLU B 39 15.865 4.921 5.447 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.406 6.650 7.110 1.00 0.00 H new ATOM 0 HB3 GLU B 39 17.460 5.267 7.322 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.472 7.436 5.539 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.337 7.830 7.241 1.00 0.00 H new ATOM 1239 N ARG B 40 17.303 7.009 3.460 1.00 0.00 N ATOM 1240 CA ARG B 40 17.097 8.104 2.517 1.00 0.00 C ATOM 1241 C ARG B 40 15.958 7.802 1.547 1.00 0.00 C ATOM 1242 O ARG B 40 15.483 8.690 0.842 1.00 0.00 O ATOM 1243 CB ARG B 40 18.385 8.382 1.736 1.00 0.00 C ATOM 1244 CG ARG B 40 19.580 8.684 2.623 1.00 0.00 C ATOM 1245 CD ARG B 40 20.601 9.562 1.918 1.00 0.00 C ATOM 1246 NE ARG B 40 21.322 8.848 0.863 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.643 8.914 0.686 1.00 0.00 C ATOM 1248 NH1 ARG B 40 23.387 9.689 1.469 1.00 0.00 N ATOM 1249 NH2 ARG B 40 23.214 8.216 -0.289 1.00 0.00 N ATOM 0 H ARG B 40 18.192 6.521 3.348 1.00 0.00 H new ATOM 0 HA ARG B 40 16.825 8.988 3.093 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.615 7.519 1.112 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.219 9.225 1.065 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.241 9.180 3.533 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.052 7.750 2.926 1.00 0.00 H new ATOM 0 HD2 ARG B 40 20.096 10.427 1.487 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.315 9.941 2.649 1.00 0.00 H new ATOM 0 HE ARG B 40 20.782 8.264 0.224 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.949 10.237 2.209 1.00 0.00 H new ATOM 0 HH12 ARG B 40 24.396 9.736 1.329 1.00 0.00 H new ATOM 0 HH21 ARG B 40 22.643 7.632 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG B 40 24.223 8.264 -0.427 1.00 0.00 H new ATOM 1263 N TYR B 41 15.515 6.551 1.516 1.00 0.00 N ATOM 1264 CA TYR B 41 14.442 6.155 0.616 1.00 0.00 C ATOM 1265 C TYR B 41 13.069 6.187 1.289 1.00 0.00 C ATOM 1266 O TYR B 41 12.051 6.200 0.599 1.00 0.00 O ATOM 1267 CB TYR B 41 14.710 4.759 0.054 1.00 0.00 C ATOM 1268 CG TYR B 41 15.324 4.768 -1.327 1.00 0.00 C ATOM 1269 CD1 TYR B 41 14.550 5.043 -2.449 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.671 4.493 -1.513 1.00 0.00 C ATOM 1271 CE1 TYR B 41 15.104 5.042 -3.715 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.232 4.493 -2.775 1.00 0.00 C ATOM 1273 CZ TYR B 41 16.445 4.766 -3.873 1.00 0.00 C ATOM 1274 OH TYR B 41 17.002 4.757 -5.133 1.00 0.00 O ATOM 0 H TYR B 41 15.880 5.799 2.100 1.00 0.00 H new ATOM 0 HA TYR B 41 14.425 6.883 -0.195 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.374 4.225 0.734 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.773 4.204 0.022 1.00 0.00 H new ATOM 0 HD1 TYR B 41 13.499 5.261 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR B 41 17.292 4.275 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.489 5.256 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR B 41 18.283 4.280 -2.901 1.00 0.00 H new ATOM 0 HH TYR B 41 17.858 4.280 -5.109 1.00 0.00 H new ATOM 1284 N GLU B 42 13.038 6.193 2.628 1.00 0.00 N ATOM 1285 CA GLU B 42 11.774 6.213 3.376 1.00 0.00 C ATOM 1286 C GLU B 42 10.824 7.289 2.856 1.00 0.00 C ATOM 1287 O GLU B 42 9.704 6.990 2.444 1.00 0.00 O ATOM 1288 CB GLU B 42 12.031 6.437 4.871 1.00 0.00 C ATOM 1289 CG GLU B 42 10.754 6.575 5.690 1.00 0.00 C ATOM 1290 CD GLU B 42 11.015 6.765 7.169 1.00 0.00 C ATOM 1291 OE1 GLU B 42 11.711 7.733 7.537 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.522 5.950 7.974 1.00 0.00 O ATOM 0 H GLU B 42 13.872 6.184 3.215 1.00 0.00 H new ATOM 0 HA GLU B 42 11.303 5.241 3.231 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.615 5.603 5.261 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.634 7.336 4.998 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.180 7.423 5.317 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.140 5.686 5.547 1.00 0.00 H new ATOM 1299 N GLU B 43 11.282 8.535 2.919 1.00 0.00 N ATOM 1300 CA GLU B 43 10.508 9.688 2.452 1.00 0.00 C ATOM 1301 C GLU B 43 9.853 9.435 1.088 1.00 0.00 C ATOM 1302 O GLU B 43 8.689 9.778 0.884 1.00 0.00 O ATOM 1303 CB GLU B 43 11.401 10.923 2.385 1.00 0.00 C ATOM 1304 CG GLU B 43 11.898 11.379 3.747 1.00 0.00 C ATOM 1305 CD GLU B 43 12.610 12.712 3.694 1.00 0.00 C ATOM 1306 OE1 GLU B 43 12.252 13.549 2.840 1.00 0.00 O ATOM 1307 OE2 GLU B 43 13.522 12.933 4.517 1.00 0.00 O ATOM 0 H GLU B 43 12.199 8.778 3.294 1.00 0.00 H new ATOM 0 HA GLU B 43 9.705 9.854 3.170 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.258 10.709 1.746 1.00 0.00 H new ATOM 0 HB3 GLU B 43 10.849 11.737 1.916 1.00 0.00 H new ATOM 0 HG2 GLU B 43 11.053 11.450 4.432 1.00 0.00 H new ATOM 0 HG3 GLU B 43 12.574 10.627 4.153 1.00 0.00 H new ATOM 1314 N GLY B 44 10.595 8.825 0.175 1.00 0.00 N ATOM 1315 CA GLY B 44 10.059 8.541 -1.147 1.00 0.00 C ATOM 1316 C GLY B 44 9.023 7.430 -1.121 1.00 0.00 C ATOM 1317 O GLY B 44 7.976 7.533 -1.761 1.00 0.00 O ATOM 0 H GLY B 44 11.557 8.521 0.322 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.609 9.445 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.874 8.260 -1.815 1.00 0.00 H new ATOM 1321 N LEU B 45 9.313 6.378 -0.366 1.00 0.00 N ATOM 1322 CA LEU B 45 8.414 5.233 -0.251 1.00 0.00 C ATOM 1323 C LEU B 45 7.064 5.651 0.336 1.00 0.00 C ATOM 1324 O LEU B 45 6.009 5.338 -0.223 1.00 0.00 O ATOM 1325 CB LEU B 45 9.057 4.147 0.619 1.00 0.00 C ATOM 1326 CG LEU B 45 10.336 3.523 0.050 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.047 2.702 1.113 1.00 0.00 C ATOM 1328 CD2 LEU B 45 10.018 2.659 -1.161 1.00 0.00 C ATOM 0 H LEU B 45 10.170 6.293 0.180 1.00 0.00 H new ATOM 0 HA LEU B 45 8.239 4.834 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.284 4.575 1.596 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.326 3.354 0.780 1.00 0.00 H new ATOM 0 HG LEU B 45 10.998 4.329 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.953 2.267 0.691 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.311 3.345 1.953 1.00 0.00 H new ATOM 0 HD13 LEU B 45 10.388 1.905 1.458 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.939 2.225 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.336 1.861 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.551 3.271 -1.932 1.00 0.00 H new ATOM 1340 N VAL B 46 7.112 6.329 1.481 1.00 0.00 N ATOM 1341 CA VAL B 46 5.907 6.814 2.161 1.00 0.00 C ATOM 1342 C VAL B 46 4.994 7.619 1.229 1.00 0.00 C ATOM 1343 O VAL B 46 3.769 7.519 1.318 1.00 0.00 O ATOM 1344 CB VAL B 46 6.274 7.681 3.389 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.029 8.259 4.048 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.076 6.870 4.395 1.00 0.00 C ATOM 0 H VAL B 46 7.981 6.558 1.963 1.00 0.00 H new ATOM 0 HA VAL B 46 5.363 5.928 2.488 1.00 0.00 H new ATOM 0 HB VAL B 46 6.887 8.511 3.039 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.319 8.863 4.907 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.494 8.882 3.331 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.381 7.447 4.378 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.325 7.496 5.252 1.00 0.00 H new ATOM 0 HG22 VAL B 46 6.485 6.017 4.729 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.994 6.514 3.927 1.00 0.00 H new ATOM 1356 N HIS B 47 5.587 8.409 0.337 1.00 0.00 N ATOM 1357 CA HIS B 47 4.807 9.222 -0.595 1.00 0.00 C ATOM 1358 C HIS B 47 3.923 8.347 -1.468 1.00 0.00 C ATOM 1359 O HIS B 47 2.710 8.538 -1.523 1.00 0.00 O ATOM 1360 CB HIS B 47 5.714 10.048 -1.497 1.00 0.00 C ATOM 1361 CG HIS B 47 5.018 11.213 -2.133 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.727 11.296 -3.478 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.539 12.355 -1.577 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.100 12.457 -3.693 1.00 0.00 C ATOM 1365 NE2 HIS B 47 3.958 13.138 -2.572 1.00 0.00 N ATOM 0 H HIS B 47 6.598 8.504 0.239 1.00 0.00 H new ATOM 0 HA HIS B 47 4.187 9.889 0.004 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.559 10.413 -0.914 1.00 0.00 H new ATOM 0 HB3 HIS B 47 6.120 9.406 -2.279 1.00 0.00 H new ATOM 0 HD2 HIS B 47 4.599 12.615 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.754 12.794 -4.659 1.00 0.00 H new ATOM 0 HE2 HIS B 47 3.515 14.049 -2.458 1.00 0.00 H new ATOM 1373 N ASN B 48 4.545 7.394 -2.156 1.00 0.00 N ATOM 1374 CA ASN B 48 3.818 6.488 -3.032 1.00 0.00 C ATOM 1375 C ASN B 48 2.714 5.792 -2.262 1.00 0.00 C ATOM 1376 O ASN B 48 1.532 6.047 -2.495 1.00 0.00 O ATOM 1377 CB ASN B 48 4.756 5.448 -3.648 1.00 0.00 C ATOM 1378 CG ASN B 48 5.659 6.035 -4.714 1.00 0.00 C ATOM 1379 OD1 ASN B 48 6.599 6.766 -4.412 1.00 0.00 O ATOM 1380 ND2 ASN B 48 5.394 5.711 -5.967 1.00 0.00 N ATOM 0 H ASN B 48 5.551 7.231 -2.122 1.00 0.00 H new ATOM 0 HA ASN B 48 3.380 7.076 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.368 5.006 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN B 48 4.164 4.642 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.979 6.071 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN B 48 4.605 5.101 -6.180 1.00 0.00 H new ATOM 1387 N GLY B 49 3.104 4.939 -1.328 1.00 0.00 N ATOM 1388 CA GLY B 49 2.134 4.217 -0.533 1.00 0.00 C ATOM 1389 C GLY B 49 2.742 3.034 0.175 1.00 0.00 C ATOM 1390 O GLY B 49 2.111 1.987 0.303 1.00 0.00 O ATOM 0 H GLY B 49 4.078 4.733 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.696 4.892 0.202 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.323 3.875 -1.176 1.00 0.00 H new ATOM 1394 N TRP B 50 3.979 3.196 0.619 1.00 0.00 N ATOM 1395 CA TRP B 50 4.682 2.139 1.326 1.00 0.00 C ATOM 1396 C TRP B 50 5.092 2.650 2.701 1.00 0.00 C ATOM 1397 O TRP B 50 6.272 2.680 3.041 1.00 0.00 O ATOM 1398 CB TRP B 50 5.917 1.682 0.536 1.00 0.00 C ATOM 1399 CG TRP B 50 5.727 1.685 -0.955 1.00 0.00 C ATOM 1400 CD1 TRP B 50 6.296 2.546 -1.849 1.00 0.00 C ATOM 1401 CD2 TRP B 50 4.916 0.789 -1.726 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.886 2.243 -3.123 1.00 0.00 N ATOM 1403 CE2 TRP B 50 5.039 1.169 -3.075 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.097 -0.298 -1.407 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.376 0.504 -4.101 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 3.438 -0.958 -2.427 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.581 -0.555 -3.760 1.00 0.00 C ATOM 0 H TRP B 50 4.518 4.054 0.501 1.00 0.00 H new ATOM 0 HA TRP B 50 4.020 1.280 1.436 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.756 2.332 0.786 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.187 0.675 0.855 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.971 3.349 -1.591 1.00 0.00 H new ATOM 0 HE1 TRP B 50 6.167 2.738 -3.969 1.00 0.00 H new ATOM 0 HE3 TRP B 50 3.981 -0.616 -0.382 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.485 0.813 -5.130 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 2.802 -1.799 -2.192 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.053 -1.091 -4.535 1.00 0.00 H new ATOM 1418 N ASP B 51 4.102 3.063 3.479 1.00 0.00 N ATOM 1419 CA ASP B 51 4.329 3.600 4.816 1.00 0.00 C ATOM 1420 C ASP B 51 4.197 2.508 5.871 1.00 0.00 C ATOM 1421 O ASP B 51 3.868 2.776 7.030 1.00 0.00 O ATOM 1422 CB ASP B 51 3.343 4.747 5.104 1.00 0.00 C ATOM 1423 CG ASP B 51 1.878 4.318 5.087 1.00 0.00 C ATOM 1424 OD1 ASP B 51 1.552 3.314 4.421 1.00 0.00 O ATOM 1425 OD2 ASP B 51 1.047 5.003 5.734 1.00 0.00 O ATOM 0 H ASP B 51 3.120 3.036 3.204 1.00 0.00 H new ATOM 0 HA ASP B 51 5.345 3.991 4.859 1.00 0.00 H new ATOM 0 HB2 ASP B 51 3.575 5.177 6.078 1.00 0.00 H new ATOM 0 HB3 ASP B 51 3.490 5.534 4.365 1.00 0.00 H new ATOM 1430 N ASP B 52 4.489 1.279 5.476 1.00 0.00 N ATOM 1431 CA ASP B 52 4.391 0.143 6.378 1.00 0.00 C ATOM 1432 C ASP B 52 5.467 -0.892 6.072 1.00 0.00 C ATOM 1433 O ASP B 52 6.355 -0.658 5.253 1.00 0.00 O ATOM 1434 CB ASP B 52 3.010 -0.502 6.257 1.00 0.00 C ATOM 1435 CG ASP B 52 2.894 -1.403 5.046 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.214 -0.950 3.928 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.494 -2.570 5.210 1.00 0.00 O ATOM 0 H ASP B 52 4.797 1.042 4.533 1.00 0.00 H new ATOM 0 HA ASP B 52 4.538 0.504 7.396 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.803 -1.081 7.157 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.252 0.279 6.199 1.00 0.00 H new ATOM 1442 N LEU B 53 5.377 -2.031 6.745 1.00 0.00 N ATOM 1443 CA LEU B 53 6.323 -3.121 6.555 1.00 0.00 C ATOM 1444 C LEU B 53 5.570 -4.435 6.373 1.00 0.00 C ATOM 1445 O LEU B 53 6.085 -5.392 5.791 1.00 0.00 O ATOM 1446 CB LEU B 53 7.267 -3.216 7.754 1.00 0.00 C ATOM 1447 CG LEU B 53 8.734 -2.911 7.454 1.00 0.00 C ATOM 1448 CD1 LEU B 53 9.505 -2.692 8.744 1.00 0.00 C ATOM 1449 CD2 LEU B 53 9.356 -4.041 6.646 1.00 0.00 C ATOM 0 H LEU B 53 4.650 -2.225 7.434 1.00 0.00 H new ATOM 0 HA LEU B 53 6.914 -2.924 5.661 1.00 0.00 H new ATOM 0 HB2 LEU B 53 6.920 -2.528 8.525 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.199 -4.221 8.170 1.00 0.00 H new ATOM 0 HG LEU B 53 8.784 -1.996 6.864 1.00 0.00 H new ATOM 0 HD11 LEU B 53 10.548 -2.476 8.512 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.073 -1.852 9.288 1.00 0.00 H new ATOM 0 HD13 LEU B 53 9.448 -3.590 9.359 1.00 0.00 H new ATOM 0 HD21 LEU B 53 10.401 -3.809 6.440 1.00 0.00 H new ATOM 0 HD22 LEU B 53 9.295 -4.970 7.213 1.00 0.00 H new ATOM 0 HD23 LEU B 53 8.818 -4.155 5.705 1.00 0.00 H new ATOM 1461 N GLU B 54 4.335 -4.448 6.858 1.00 0.00 N ATOM 1462 CA GLU B 54 3.465 -5.611 6.794 1.00 0.00 C ATOM 1463 C GLU B 54 3.181 -6.007 5.349 1.00 0.00 C ATOM 1464 O GLU B 54 3.488 -7.121 4.925 1.00 0.00 O ATOM 1465 CB GLU B 54 2.150 -5.312 7.524 1.00 0.00 C ATOM 1466 CG GLU B 54 2.336 -4.840 8.964 1.00 0.00 C ATOM 1467 CD GLU B 54 2.455 -3.328 9.095 1.00 0.00 C ATOM 1468 OE1 GLU B 54 3.455 -2.751 8.613 1.00 0.00 O ATOM 1469 OE2 GLU B 54 1.568 -2.706 9.711 1.00 0.00 O ATOM 0 H GLU B 54 3.906 -3.641 7.312 1.00 0.00 H new ATOM 0 HA GLU B 54 3.971 -6.446 7.279 1.00 0.00 H new ATOM 0 HB2 GLU B 54 1.603 -4.549 6.970 1.00 0.00 H new ATOM 0 HB3 GLU B 54 1.533 -6.210 7.523 1.00 0.00 H new ATOM 0 HG2 GLU B 54 1.493 -5.184 9.563 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.231 -5.305 9.378 1.00 0.00 H new ATOM 1476 N PHE B 55 2.616 -5.085 4.590 1.00 0.00 N ATOM 1477 CA PHE B 55 2.295 -5.341 3.198 1.00 0.00 C ATOM 1478 C PHE B 55 3.488 -4.994 2.318 1.00 0.00 C ATOM 1479 O PHE B 55 3.434 -5.122 1.096 1.00 0.00 O ATOM 1480 CB PHE B 55 1.063 -4.539 2.770 1.00 0.00 C ATOM 1481 CG PHE B 55 -0.065 -5.393 2.261 1.00 0.00 C ATOM 1482 CD1 PHE B 55 -0.061 -5.867 0.959 1.00 0.00 C ATOM 1483 CD2 PHE B 55 -1.129 -5.720 3.085 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -1.097 -6.651 0.489 1.00 0.00 C ATOM 1485 CE2 PHE B 55 -2.168 -6.504 2.621 1.00 0.00 C ATOM 1486 CZ PHE B 55 -2.152 -6.971 1.321 1.00 0.00 C ATOM 0 H PHE B 55 2.370 -4.150 4.916 1.00 0.00 H new ATOM 0 HA PHE B 55 2.067 -6.400 3.082 1.00 0.00 H new ATOM 0 HB2 PHE B 55 0.709 -3.952 3.618 1.00 0.00 H new ATOM 0 HB3 PHE B 55 1.352 -3.832 1.992 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.762 -5.621 0.304 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -1.147 -5.358 4.102 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -1.082 -7.013 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -2.992 -6.751 3.274 1.00 0.00 H new ATOM 0 HZ PHE B 55 -2.962 -7.585 0.956 1.00 0.00 H new ATOM 1496 N LEU B 56 4.564 -4.539 2.951 1.00 0.00 N ATOM 1497 CA LEU B 56 5.784 -4.189 2.235 1.00 0.00 C ATOM 1498 C LEU B 56 6.524 -5.458 1.834 1.00 0.00 C ATOM 1499 O LEU B 56 7.420 -5.435 0.994 1.00 0.00 O ATOM 1500 CB LEU B 56 6.686 -3.304 3.101 1.00 0.00 C ATOM 1501 CG LEU B 56 7.874 -2.665 2.374 1.00 0.00 C ATOM 1502 CD1 LEU B 56 7.398 -1.606 1.395 1.00 0.00 C ATOM 1503 CD2 LEU B 56 8.850 -2.065 3.374 1.00 0.00 C ATOM 0 H LEU B 56 4.615 -4.404 3.961 1.00 0.00 H new ATOM 0 HA LEU B 56 5.516 -3.629 1.339 1.00 0.00 H new ATOM 0 HB2 LEU B 56 6.078 -2.510 3.536 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.067 -3.903 3.928 1.00 0.00 H new ATOM 0 HG LEU B 56 8.390 -3.444 1.812 1.00 0.00 H new ATOM 0 HD11 LEU B 56 8.257 -1.165 0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.738 -2.063 0.657 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.856 -0.829 1.934 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.687 -1.616 2.840 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.343 -1.301 3.963 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.220 -2.848 4.036 1.00 0.00 H new ATOM 1515 N SER B 57 6.135 -6.570 2.448 1.00 0.00 N ATOM 1516 CA SER B 57 6.743 -7.857 2.152 1.00 0.00 C ATOM 1517 C SER B 57 6.306 -8.333 0.768 1.00 0.00 C ATOM 1518 O SER B 57 7.046 -9.023 0.066 1.00 0.00 O ATOM 1519 CB SER B 57 6.352 -8.876 3.222 1.00 0.00 C ATOM 1520 OG SER B 57 6.596 -8.362 4.522 1.00 0.00 O ATOM 0 H SER B 57 5.400 -6.603 3.154 1.00 0.00 H new ATOM 0 HA SER B 57 7.828 -7.752 2.155 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.297 -9.131 3.119 1.00 0.00 H new ATOM 0 HB3 SER B 57 6.918 -9.796 3.078 1.00 0.00 H new ATOM 0 HG SER B 57 6.337 -9.029 5.191 1.00 0.00 H new ATOM 1526 N ASP B 58 5.100 -7.940 0.376 1.00 0.00 N ATOM 1527 CA ASP B 58 4.566 -8.305 -0.927 1.00 0.00 C ATOM 1528 C ASP B 58 4.775 -7.151 -1.892 1.00 0.00 C ATOM 1529 O ASP B 58 3.851 -6.397 -2.194 1.00 0.00 O ATOM 1530 CB ASP B 58 3.079 -8.653 -0.834 1.00 0.00 C ATOM 1531 CG ASP B 58 2.615 -9.548 -1.971 1.00 0.00 C ATOM 1532 OD1 ASP B 58 3.424 -9.840 -2.881 1.00 0.00 O ATOM 1533 OD2 ASP B 58 1.447 -9.989 -1.936 1.00 0.00 O ATOM 0 H ASP B 58 4.474 -7.368 0.943 1.00 0.00 H new ATOM 0 HA ASP B 58 5.093 -9.188 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP B 58 2.885 -9.150 0.117 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.494 -7.734 -0.839 1.00 0.00 H new ATOM 1538 N ILE B 59 6.008 -6.997 -2.339 1.00 0.00 N ATOM 1539 CA ILE B 59 6.361 -5.927 -3.251 1.00 0.00 C ATOM 1540 C ILE B 59 7.205 -6.469 -4.403 1.00 0.00 C ATOM 1541 O ILE B 59 7.934 -7.453 -4.242 1.00 0.00 O ATOM 1542 CB ILE B 59 7.118 -4.803 -2.498 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.105 -3.506 -3.303 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.549 -5.220 -2.184 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.380 -2.273 -2.472 1.00 0.00 C ATOM 0 H ILE B 59 6.786 -7.605 -2.082 1.00 0.00 H new ATOM 0 HA ILE B 59 5.446 -5.505 -3.665 1.00 0.00 H new ATOM 0 HB ILE B 59 6.601 -4.629 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.850 -3.573 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.134 -3.398 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.056 -4.412 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.539 -6.113 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.078 -5.434 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.355 -1.390 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE B 59 6.621 -2.181 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.363 -2.358 -2.009 1.00 0.00 H new ATOM 1557 N THR B 60 7.077 -5.857 -5.571 1.00 0.00 N ATOM 1558 CA THR B 60 7.838 -6.281 -6.733 1.00 0.00 C ATOM 1559 C THR B 60 8.888 -5.238 -7.093 1.00 0.00 C ATOM 1560 O THR B 60 8.924 -4.150 -6.511 1.00 0.00 O ATOM 1561 CB THR B 60 6.921 -6.513 -7.953 1.00 0.00 C ATOM 1562 OG1 THR B 60 6.371 -5.267 -8.399 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.793 -7.478 -7.612 1.00 0.00 C ATOM 0 H THR B 60 6.454 -5.067 -5.737 1.00 0.00 H new ATOM 0 HA THR B 60 8.326 -7.221 -6.475 1.00 0.00 H new ATOM 0 HB THR B 60 7.522 -6.951 -8.750 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.637 -5.002 -7.806 1.00 0.00 H new ATOM 0 HG21 THR B 60 5.162 -7.624 -8.489 1.00 0.00 H new ATOM 0 HG22 THR B 60 6.214 -8.435 -7.304 1.00 0.00 H new ATOM 0 HG23 THR B 60 5.195 -7.066 -6.799 1.00 0.00 H new ATOM 1571 N GLU B 61 9.746 -5.574 -8.050 1.00 0.00 N ATOM 1572 CA GLU B 61 10.779 -4.654 -8.502 1.00 0.00 C ATOM 1573 C GLU B 61 10.145 -3.430 -9.152 1.00 0.00 C ATOM 1574 O GLU B 61 10.683 -2.323 -9.076 1.00 0.00 O ATOM 1575 CB GLU B 61 11.706 -5.339 -9.502 1.00 0.00 C ATOM 1576 CG GLU B 61 12.650 -6.349 -8.878 1.00 0.00 C ATOM 1577 CD GLU B 61 13.721 -6.784 -9.850 1.00 0.00 C ATOM 1578 OE1 GLU B 61 14.594 -5.956 -10.177 1.00 0.00 O ATOM 1579 OE2 GLU B 61 13.679 -7.942 -10.317 1.00 0.00 O ATOM 0 H GLU B 61 9.745 -6.476 -8.526 1.00 0.00 H new ATOM 0 HA GLU B 61 11.362 -4.342 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU B 61 11.101 -5.841 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU B 61 12.293 -4.579 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU B 61 13.116 -5.914 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU B 61 12.084 -7.219 -8.546 1.00 0.00 H new ATOM 1586 N GLU B 62 8.995 -3.648 -9.783 1.00 0.00 N ATOM 1587 CA GLU B 62 8.261 -2.580 -10.448 1.00 0.00 C ATOM 1588 C GLU B 62 7.804 -1.554 -9.422 1.00 0.00 C ATOM 1589 O GLU B 62 7.959 -0.348 -9.612 1.00 0.00 O ATOM 1590 CB GLU B 62 7.041 -3.145 -11.179 1.00 0.00 C ATOM 1591 CG GLU B 62 7.330 -4.386 -12.010 1.00 0.00 C ATOM 1592 CD GLU B 62 6.079 -5.199 -12.288 1.00 0.00 C ATOM 1593 OE1 GLU B 62 4.966 -4.644 -12.189 1.00 0.00 O ATOM 1594 OE2 GLU B 62 6.205 -6.401 -12.602 1.00 0.00 O ATOM 0 H GLU B 62 8.550 -4.563 -9.847 1.00 0.00 H new ATOM 0 HA GLU B 62 8.921 -2.104 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU B 62 6.271 -3.384 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU B 62 6.632 -2.373 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.785 -4.090 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.056 -5.009 -11.488 1.00 0.00 H new ATOM 1601 N ASP B 63 7.229 -2.054 -8.335 1.00 0.00 N ATOM 1602 CA ASP B 63 6.744 -1.206 -7.256 1.00 0.00 C ATOM 1603 C ASP B 63 7.849 -0.306 -6.729 1.00 0.00 C ATOM 1604 O ASP B 63 7.644 0.897 -6.567 1.00 0.00 O ATOM 1605 CB ASP B 63 6.176 -2.053 -6.121 1.00 0.00 C ATOM 1606 CG ASP B 63 4.980 -2.873 -6.549 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.959 -2.278 -6.957 1.00 0.00 O ATOM 1608 OD2 ASP B 63 5.067 -4.116 -6.497 1.00 0.00 O ATOM 0 H ASP B 63 7.087 -3.052 -8.178 1.00 0.00 H new ATOM 0 HA ASP B 63 5.950 -0.577 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.953 -2.719 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.889 -1.402 -5.295 1.00 0.00 H new ATOM 1613 N LEU B 64 9.014 -0.883 -6.435 1.00 0.00 N ATOM 1614 CA LEU B 64 10.149 -0.105 -5.948 1.00 0.00 C ATOM 1615 C LEU B 64 10.487 1.028 -6.911 1.00 0.00 C ATOM 1616 O LEU B 64 10.534 2.189 -6.514 1.00 0.00 O ATOM 1617 CB LEU B 64 11.374 -1.006 -5.760 1.00 0.00 C ATOM 1618 CG LEU B 64 11.184 -2.182 -4.801 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.421 -3.065 -4.789 1.00 0.00 C ATOM 1620 CD2 LEU B 64 10.872 -1.682 -3.399 1.00 0.00 C ATOM 0 H LEU B 64 9.195 -1.883 -6.526 1.00 0.00 H new ATOM 0 HA LEU B 64 9.871 0.326 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.668 -1.397 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.201 -0.395 -5.399 1.00 0.00 H new ATOM 0 HG LEU B 64 10.340 -2.777 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.268 -3.897 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.601 -3.452 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.282 -2.480 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.740 -2.533 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.696 -1.064 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.957 -1.091 -3.419 1.00 0.00 H new ATOM 1632 N GLU B 65 10.778 0.671 -8.161 1.00 0.00 N ATOM 1633 CA GLU B 65 11.098 1.658 -9.194 1.00 0.00 C ATOM 1634 C GLU B 65 10.100 2.828 -9.202 1.00 0.00 C ATOM 1635 O GLU B 65 10.491 3.974 -9.418 1.00 0.00 O ATOM 1636 CB GLU B 65 11.193 0.987 -10.576 1.00 0.00 C ATOM 1637 CG GLU B 65 9.959 1.145 -11.452 1.00 0.00 C ATOM 1638 CD GLU B 65 10.301 1.251 -12.924 1.00 0.00 C ATOM 1639 OE1 GLU B 65 11.431 1.672 -13.250 1.00 0.00 O ATOM 1640 OE2 GLU B 65 9.439 0.925 -13.764 1.00 0.00 O ATOM 0 H GLU B 65 10.799 -0.296 -8.484 1.00 0.00 H new ATOM 0 HA GLU B 65 12.074 2.081 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU B 65 12.052 1.400 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU B 65 11.386 -0.076 -10.435 1.00 0.00 H new ATOM 0 HG2 GLU B 65 9.296 0.294 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.411 2.036 -11.145 1.00 0.00 H new ATOM 1647 N GLU B 66 8.822 2.544 -8.944 1.00 0.00 N ATOM 1648 CA GLU B 66 7.787 3.580 -8.904 1.00 0.00 C ATOM 1649 C GLU B 66 8.085 4.633 -7.829 1.00 0.00 C ATOM 1650 O GLU B 66 7.679 5.791 -7.949 1.00 0.00 O ATOM 1651 CB GLU B 66 6.424 2.936 -8.636 1.00 0.00 C ATOM 1652 CG GLU B 66 5.256 3.909 -8.690 1.00 0.00 C ATOM 1653 CD GLU B 66 4.033 3.381 -7.971 1.00 0.00 C ATOM 1654 OE1 GLU B 66 3.550 2.295 -8.344 1.00 0.00 O ATOM 1655 OE2 GLU B 66 3.556 4.052 -7.029 1.00 0.00 O ATOM 0 H GLU B 66 8.478 1.602 -8.759 1.00 0.00 H new ATOM 0 HA GLU B 66 7.775 4.083 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU B 66 6.258 2.145 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU B 66 6.444 2.463 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.555 4.857 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU B 66 5.003 4.112 -9.731 1.00 0.00 H new ATOM 1662 N ALA B 67 8.800 4.230 -6.787 1.00 0.00 N ATOM 1663 CA ALA B 67 9.147 5.136 -5.696 1.00 0.00 C ATOM 1664 C ALA B 67 10.490 5.817 -5.950 1.00 0.00 C ATOM 1665 O ALA B 67 10.966 6.603 -5.130 1.00 0.00 O ATOM 1666 CB ALA B 67 9.177 4.382 -4.375 1.00 0.00 C ATOM 0 H ALA B 67 9.153 3.280 -6.673 1.00 0.00 H new ATOM 0 HA ALA B 67 8.382 5.911 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.437 5.069 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA B 67 8.195 3.950 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.920 3.586 -4.427 1.00 0.00 H new ATOM 1672 N GLY B 68 11.099 5.514 -7.088 1.00 0.00 N ATOM 1673 CA GLY B 68 12.376 6.114 -7.425 1.00 0.00 C ATOM 1674 C GLY B 68 13.539 5.161 -7.241 1.00 0.00 C ATOM 1675 O GLY B 68 14.700 5.572 -7.255 1.00 0.00 O ATOM 0 H GLY B 68 10.733 4.864 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY B 68 12.351 6.454 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY B 68 12.533 6.996 -6.804 1.00 0.00 H new ATOM 1679 N VAL B 69 13.237 3.884 -7.058 1.00 0.00 N ATOM 1680 CA VAL B 69 14.277 2.884 -6.880 1.00 0.00 C ATOM 1681 C VAL B 69 14.638 2.254 -8.224 1.00 0.00 C ATOM 1682 O VAL B 69 14.373 1.077 -8.470 1.00 0.00 O ATOM 1683 CB VAL B 69 13.857 1.778 -5.882 1.00 0.00 C ATOM 1684 CG1 VAL B 69 15.065 0.968 -5.433 1.00 0.00 C ATOM 1685 CG2 VAL B 69 13.142 2.373 -4.677 1.00 0.00 C ATOM 0 H VAL B 69 12.285 3.518 -7.029 1.00 0.00 H new ATOM 0 HA VAL B 69 15.147 3.393 -6.466 1.00 0.00 H new ATOM 0 HB VAL B 69 13.165 1.111 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.746 0.197 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.532 0.500 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.784 1.627 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.858 1.574 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.807 3.070 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL B 69 12.248 2.902 -5.009 1.00 0.00 H new ATOM 1695 N GLN B 70 15.220 3.059 -9.105 1.00 0.00 N ATOM 1696 CA GLN B 70 15.621 2.584 -10.424 1.00 0.00 C ATOM 1697 C GLN B 70 17.023 1.990 -10.380 1.00 0.00 C ATOM 1698 O GLN B 70 17.483 1.376 -11.342 1.00 0.00 O ATOM 1699 CB GLN B 70 15.574 3.720 -11.450 1.00 0.00 C ATOM 1700 CG GLN B 70 14.304 3.740 -12.287 1.00 0.00 C ATOM 1701 CD GLN B 70 13.158 4.452 -11.598 1.00 0.00 C ATOM 1702 OE1 GLN B 70 13.362 5.396 -10.835 1.00 0.00 O ATOM 1703 NE2 GLN B 70 11.944 4.008 -11.862 1.00 0.00 N ATOM 0 H GLN B 70 15.425 4.043 -8.930 1.00 0.00 H new ATOM 0 HA GLN B 70 14.917 1.808 -10.726 1.00 0.00 H new ATOM 0 HB2 GLN B 70 15.669 4.672 -10.928 1.00 0.00 H new ATOM 0 HB3 GLN B 70 16.434 3.633 -12.114 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.510 4.229 -13.239 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.007 2.716 -12.512 1.00 0.00 H new ATOM 0 HE21 GLN B 70 11.816 3.223 -12.500 1.00 0.00 H new ATOM 0 HE22 GLN B 70 11.134 4.450 -11.428 1.00 0.00 H new ATOM 1712 N ASP B 71 17.694 2.171 -9.253 1.00 0.00 N ATOM 1713 CA ASP B 71 19.048 1.660 -9.078 1.00 0.00 C ATOM 1714 C ASP B 71 19.031 0.147 -8.863 1.00 0.00 C ATOM 1715 O ASP B 71 18.251 -0.366 -8.055 1.00 0.00 O ATOM 1716 CB ASP B 71 19.726 2.359 -7.900 1.00 0.00 C ATOM 1717 CG ASP B 71 21.148 1.884 -7.690 1.00 0.00 C ATOM 1718 OD1 ASP B 71 22.057 2.407 -8.364 1.00 0.00 O ATOM 1719 OD2 ASP B 71 21.359 0.990 -6.850 1.00 0.00 O ATOM 0 H ASP B 71 17.324 2.669 -8.443 1.00 0.00 H new ATOM 0 HA ASP B 71 19.616 1.869 -9.984 1.00 0.00 H new ATOM 0 HB2 ASP B 71 19.727 3.436 -8.071 1.00 0.00 H new ATOM 0 HB3 ASP B 71 19.148 2.180 -6.993 1.00 0.00 H new ATOM 1724 N PRO B 72 19.887 -0.588 -9.593 1.00 0.00 N ATOM 1725 CA PRO B 72 19.964 -2.050 -9.497 1.00 0.00 C ATOM 1726 C PRO B 72 20.424 -2.538 -8.123 1.00 0.00 C ATOM 1727 O PRO B 72 19.850 -3.478 -7.569 1.00 0.00 O ATOM 1728 CB PRO B 72 20.992 -2.429 -10.570 1.00 0.00 C ATOM 1729 CG PRO B 72 21.796 -1.194 -10.789 1.00 0.00 C ATOM 1730 CD PRO B 72 20.854 -0.047 -10.566 1.00 0.00 C ATOM 0 HA PRO B 72 18.985 -2.508 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO B 72 21.621 -3.256 -10.239 1.00 0.00 H new ATOM 0 HB3 PRO B 72 20.502 -2.749 -11.490 1.00 0.00 H new ATOM 0 HG2 PRO B 72 22.638 -1.148 -10.098 1.00 0.00 H new ATOM 0 HG3 PRO B 72 22.209 -1.170 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO B 72 21.372 0.829 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO B 72 20.366 0.259 -11.491 1.00 0.00 H new ATOM 1738 N ALA B 73 21.444 -1.887 -7.579 1.00 0.00 N ATOM 1739 CA ALA B 73 21.989 -2.262 -6.282 1.00 0.00 C ATOM 1740 C ALA B 73 20.965 -2.038 -5.177 1.00 0.00 C ATOM 1741 O ALA B 73 20.808 -2.875 -4.289 1.00 0.00 O ATOM 1742 CB ALA B 73 23.263 -1.482 -5.998 1.00 0.00 C ATOM 0 H ALA B 73 21.912 -1.094 -8.018 1.00 0.00 H new ATOM 0 HA ALA B 73 22.231 -3.325 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA B 73 23.659 -1.773 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA B 73 24.002 -1.698 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA B 73 23.043 -0.414 -5.996 1.00 0.00 H new ATOM 1748 N HIS B 74 20.266 -0.912 -5.243 1.00 0.00 N ATOM 1749 CA HIS B 74 19.252 -0.578 -4.248 1.00 0.00 C ATOM 1750 C HIS B 74 18.125 -1.605 -4.248 1.00 0.00 C ATOM 1751 O HIS B 74 17.654 -2.010 -3.186 1.00 0.00 O ATOM 1752 CB HIS B 74 18.695 0.828 -4.490 1.00 0.00 C ATOM 1753 CG HIS B 74 19.661 1.919 -4.139 1.00 0.00 C ATOM 1754 ND1 HIS B 74 19.563 3.216 -4.593 1.00 0.00 N ATOM 1755 CD2 HIS B 74 20.771 1.881 -3.359 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.594 3.908 -4.092 1.00 0.00 C ATOM 1757 NE2 HIS B 74 21.358 3.143 -3.335 1.00 0.00 N ATOM 0 H HIS B 74 20.382 -0.213 -5.976 1.00 0.00 H new ATOM 0 HA HIS B 74 19.728 -0.596 -3.268 1.00 0.00 H new ATOM 0 HB2 HIS B 74 18.415 0.924 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.785 0.956 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS B 74 21.140 1.009 -2.839 1.00 0.00 H new ATOM 0 HE1 HIS B 74 20.777 4.955 -4.282 1.00 0.00 H new ATOM 0 HE2 HIS B 74 22.203 3.419 -2.836 1.00 0.00 H new ATOM 1765 N LYS B 75 17.700 -2.028 -5.434 1.00 0.00 N ATOM 1766 CA LYS B 75 16.636 -3.024 -5.546 1.00 0.00 C ATOM 1767 C LYS B 75 17.098 -4.354 -4.959 1.00 0.00 C ATOM 1768 O LYS B 75 16.435 -4.926 -4.091 1.00 0.00 O ATOM 1769 CB LYS B 75 16.222 -3.219 -7.007 1.00 0.00 C ATOM 1770 CG LYS B 75 15.358 -2.096 -7.561 1.00 0.00 C ATOM 1771 CD LYS B 75 14.675 -2.506 -8.859 1.00 0.00 C ATOM 1772 CE LYS B 75 15.680 -2.730 -9.978 1.00 0.00 C ATOM 1773 NZ LYS B 75 15.110 -3.551 -11.078 1.00 0.00 N ATOM 0 H LYS B 75 18.071 -1.701 -6.326 1.00 0.00 H new ATOM 0 HA LYS B 75 15.773 -2.663 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS B 75 17.119 -3.309 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS B 75 15.679 -4.160 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS B 75 14.604 -1.818 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS B 75 15.974 -1.214 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS B 75 14.103 -3.419 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS B 75 13.966 -1.734 -9.156 1.00 0.00 H new ATOM 0 HE2 LYS B 75 16.004 -1.767 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS B 75 16.565 -3.224 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 15.667 -3.406 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.139 -4.556 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 14.124 -3.266 -11.249 1.00 0.00 H new ATOM 1787 N ARG B 76 18.234 -4.838 -5.454 1.00 0.00 N ATOM 1788 CA ARG B 76 18.814 -6.094 -4.985 1.00 0.00 C ATOM 1789 C ARG B 76 18.984 -6.082 -3.465 1.00 0.00 C ATOM 1790 O ARG B 76 18.613 -7.041 -2.784 1.00 0.00 O ATOM 1791 CB ARG B 76 20.162 -6.346 -5.669 1.00 0.00 C ATOM 1792 CG ARG B 76 20.743 -7.729 -5.402 1.00 0.00 C ATOM 1793 CD ARG B 76 19.905 -8.831 -6.040 1.00 0.00 C ATOM 1794 NE ARG B 76 20.565 -10.135 -5.959 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.928 -11.292 -5.758 1.00 0.00 C ATOM 1796 NH1 ARG B 76 18.602 -11.324 -5.693 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.614 -12.423 -5.655 1.00 0.00 N ATOM 0 H ARG B 76 18.775 -4.376 -6.185 1.00 0.00 H new ATOM 0 HA ARG B 76 18.131 -6.903 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG B 76 20.042 -6.215 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG B 76 20.875 -5.593 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG B 76 21.761 -7.776 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.804 -7.896 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG B 76 18.936 -8.883 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG B 76 19.716 -8.584 -7.085 1.00 0.00 H new ATOM 0 HE ARG B 76 21.579 -10.162 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG B 76 18.065 -10.463 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG B 76 18.120 -12.210 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG B 76 21.631 -12.411 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG B 76 20.124 -13.304 -5.502 1.00 0.00 H new ATOM 1811 N LEU B 77 19.535 -4.988 -2.940 1.00 0.00 N ATOM 1812 CA LEU B 77 19.747 -4.850 -1.504 1.00 0.00 C ATOM 1813 C LEU B 77 18.420 -4.852 -0.749 1.00 0.00 C ATOM 1814 O LEU B 77 18.288 -5.520 0.275 1.00 0.00 O ATOM 1815 CB LEU B 77 20.519 -3.558 -1.200 1.00 0.00 C ATOM 1816 CG LEU B 77 21.751 -3.720 -0.301 1.00 0.00 C ATOM 1817 CD1 LEU B 77 21.350 -4.187 1.090 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.743 -4.692 -0.922 1.00 0.00 C ATOM 0 H LEU B 77 19.842 -4.186 -3.490 1.00 0.00 H new ATOM 0 HA LEU B 77 20.334 -5.705 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.836 -3.114 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.837 -2.851 -0.728 1.00 0.00 H new ATOM 0 HG LEU B 77 22.232 -2.746 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU B 77 22.241 -4.294 1.709 1.00 0.00 H new ATOM 0 HD12 LEU B 77 20.681 -3.454 1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 77 20.840 -5.148 1.018 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.610 -4.794 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU B 77 22.268 -5.665 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU B 77 23.062 -4.315 -1.894 1.00 0.00 H new ATOM 1830 N LEU B 78 17.442 -4.110 -1.261 1.00 0.00 N ATOM 1831 CA LEU B 78 16.127 -4.030 -0.632 1.00 0.00 C ATOM 1832 C LEU B 78 15.510 -5.421 -0.504 1.00 0.00 C ATOM 1833 O LEU B 78 15.049 -5.808 0.571 1.00 0.00 O ATOM 1834 CB LEU B 78 15.204 -3.110 -1.438 1.00 0.00 C ATOM 1835 CG LEU B 78 14.273 -2.225 -0.605 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.960 -0.936 -1.349 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.987 -2.965 -0.264 1.00 0.00 C ATOM 0 H LEU B 78 17.536 -3.555 -2.111 1.00 0.00 H new ATOM 0 HA LEU B 78 16.248 -3.612 0.367 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.819 -2.469 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.596 -3.724 -2.103 1.00 0.00 H new ATOM 0 HG LEU B 78 14.782 -1.976 0.326 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.297 -0.318 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.885 -0.394 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.473 -1.171 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.341 -2.317 0.328 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.474 -3.246 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.224 -3.862 0.308 1.00 0.00 H new ATOM 1849 N LEU B 79 15.508 -6.164 -1.607 1.00 0.00 N ATOM 1850 CA LEU B 79 14.969 -7.523 -1.628 1.00 0.00 C ATOM 1851 C LEU B 79 15.637 -8.398 -0.569 1.00 0.00 C ATOM 1852 O LEU B 79 14.967 -9.151 0.140 1.00 0.00 O ATOM 1853 CB LEU B 79 15.157 -8.147 -3.015 1.00 0.00 C ATOM 1854 CG LEU B 79 13.915 -8.145 -3.912 1.00 0.00 C ATOM 1855 CD1 LEU B 79 13.447 -6.724 -4.189 1.00 0.00 C ATOM 1856 CD2 LEU B 79 14.204 -8.872 -5.216 1.00 0.00 C ATOM 0 H LEU B 79 15.876 -5.847 -2.504 1.00 0.00 H new ATOM 0 HA LEU B 79 13.904 -7.465 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.956 -7.613 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.491 -9.177 -2.889 1.00 0.00 H new ATOM 0 HG LEU B 79 13.116 -8.669 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU B 79 12.564 -6.750 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU B 79 13.200 -6.232 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU B 79 14.241 -6.170 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU B 79 13.313 -8.863 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU B 79 15.020 -8.372 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU B 79 14.487 -9.903 -5.003 1.00 0.00 H new ATOM 1868 N ASP B 80 16.957 -8.285 -0.457 1.00 0.00 N ATOM 1869 CA ASP B 80 17.707 -9.064 0.524 1.00 0.00 C ATOM 1870 C ASP B 80 17.364 -8.610 1.938 1.00 0.00 C ATOM 1871 O ASP B 80 17.212 -9.428 2.847 1.00 0.00 O ATOM 1872 CB ASP B 80 19.214 -8.942 0.285 1.00 0.00 C ATOM 1873 CG ASP B 80 20.012 -9.856 1.197 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.129 -11.062 0.886 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.525 -9.378 2.228 1.00 0.00 O ATOM 0 H ASP B 80 17.528 -7.664 -1.031 1.00 0.00 H new ATOM 0 HA ASP B 80 17.425 -10.111 0.410 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.437 -9.183 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.524 -7.909 0.446 1.00 0.00 H new ATOM 1880 N THR B 81 17.221 -7.300 2.110 1.00 0.00 N ATOM 1881 CA THR B 81 16.879 -6.727 3.403 1.00 0.00 C ATOM 1882 C THR B 81 15.518 -7.237 3.867 1.00 0.00 C ATOM 1883 O THR B 81 15.320 -7.517 5.051 1.00 0.00 O ATOM 1884 CB THR B 81 16.869 -5.188 3.347 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.112 -4.722 2.809 1.00 0.00 O ATOM 1886 CG2 THR B 81 16.659 -4.585 4.730 1.00 0.00 C ATOM 0 H THR B 81 17.338 -6.614 1.365 1.00 0.00 H new ATOM 0 HA THR B 81 17.642 -7.039 4.117 1.00 0.00 H new ATOM 0 HB THR B 81 16.042 -4.876 2.709 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.131 -4.883 1.842 1.00 0.00 H new ATOM 0 HG21 THR B 81 16.657 -3.497 4.656 1.00 0.00 H new ATOM 0 HG22 THR B 81 15.704 -4.923 5.133 1.00 0.00 H new ATOM 0 HG23 THR B 81 17.465 -4.902 5.391 1.00 0.00 H new ATOM 1894 N LEU B 82 14.586 -7.368 2.926 1.00 0.00 N ATOM 1895 CA LEU B 82 13.256 -7.875 3.235 1.00 0.00 C ATOM 1896 C LEU B 82 13.365 -9.276 3.817 1.00 0.00 C ATOM 1897 O LEU B 82 12.720 -9.600 4.809 1.00 0.00 O ATOM 1898 CB LEU B 82 12.376 -7.898 1.983 1.00 0.00 C ATOM 1899 CG LEU B 82 11.935 -6.528 1.464 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.249 -6.670 0.116 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.009 -5.849 2.463 1.00 0.00 C ATOM 0 H LEU B 82 14.729 -7.130 1.945 1.00 0.00 H new ATOM 0 HA LEU B 82 12.794 -7.211 3.966 1.00 0.00 H new ATOM 0 HB2 LEU B 82 12.918 -8.411 1.188 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.486 -8.490 2.196 1.00 0.00 H new ATOM 0 HG LEU B 82 12.821 -5.905 1.340 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.941 -5.687 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.941 -7.115 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.373 -7.310 0.219 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.706 -4.876 2.076 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.126 -6.468 2.619 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.531 -5.716 3.411 1.00 0.00 H new ATOM 1913 N GLN B 83 14.212 -10.093 3.199 1.00 0.00 N ATOM 1914 CA GLN B 83 14.430 -11.456 3.661 1.00 0.00 C ATOM 1915 C GLN B 83 15.072 -11.445 5.044 1.00 0.00 C ATOM 1916 O GLN B 83 14.650 -12.175 5.941 1.00 0.00 O ATOM 1917 CB GLN B 83 15.320 -12.222 2.676 1.00 0.00 C ATOM 1918 CG GLN B 83 14.719 -12.350 1.286 1.00 0.00 C ATOM 1919 CD GLN B 83 13.387 -13.074 1.292 1.00 0.00 C ATOM 1920 OE1 GLN B 83 13.154 -13.967 2.107 1.00 0.00 O ATOM 1921 NE2 GLN B 83 12.503 -12.691 0.387 1.00 0.00 N ATOM 0 H GLN B 83 14.758 -9.833 2.377 1.00 0.00 H new ATOM 0 HA GLN B 83 13.465 -11.959 3.721 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.283 -11.717 2.601 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.513 -13.219 3.073 1.00 0.00 H new ATOM 0 HG2 GLN B 83 14.586 -11.356 0.858 1.00 0.00 H new ATOM 0 HG3 GLN B 83 15.416 -12.884 0.640 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.736 -11.947 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN B 83 11.588 -13.140 0.346 1.00 0.00 H new ATOM 1930 N LEU B 84 16.101 -10.617 5.202 1.00 0.00 N ATOM 1931 CA LEU B 84 16.808 -10.484 6.472 1.00 0.00 C ATOM 1932 C LEU B 84 15.864 -10.089 7.607 1.00 0.00 C ATOM 1933 O LEU B 84 15.986 -10.586 8.727 1.00 0.00 O ATOM 1934 CB LEU B 84 17.920 -9.443 6.340 1.00 0.00 C ATOM 1935 CG LEU B 84 18.996 -9.500 7.424 1.00 0.00 C ATOM 1936 CD1 LEU B 84 19.833 -10.759 7.273 1.00 0.00 C ATOM 1937 CD2 LEU B 84 19.875 -8.260 7.366 1.00 0.00 C ATOM 0 H LEU B 84 16.466 -10.023 4.458 1.00 0.00 H new ATOM 0 HA LEU B 84 17.237 -11.456 6.717 1.00 0.00 H new ATOM 0 HB2 LEU B 84 18.399 -9.567 5.369 1.00 0.00 H new ATOM 0 HB3 LEU B 84 17.470 -8.450 6.349 1.00 0.00 H new ATOM 0 HG LEU B 84 18.507 -9.527 8.398 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.595 -10.785 8.052 1.00 0.00 H new ATOM 0 HD12 LEU B 84 19.191 -11.635 7.363 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.314 -10.761 6.295 1.00 0.00 H new ATOM 0 HD21 LEU B 84 20.636 -8.317 8.144 1.00 0.00 H new ATOM 0 HD22 LEU B 84 20.358 -8.201 6.390 1.00 0.00 H new ATOM 0 HD23 LEU B 84 19.262 -7.372 7.521 1.00 0.00 H new