USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 ASN : amide:sc= -0.651 K(o=-0.17,f=-1.5!) USER MOD Set 1.2: A 102 CYS SG : rot -110:sc= 0.479 USER MOD Set 2.1: A 99 THR OG1 : rot 124:sc= 0.263 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.251 USER MOD Set 3.1: A 49 CYS SG : rot 105:sc= -2.74 USER MOD Set 3.2: A 107 GLN : amide:sc= -1.08 K(o=-3.8,f=-15!) USER MOD Set 4.1: A 42 ASN : amide:sc= -2.13! C(o=-6.6!,f=-9.3!) USER MOD Set 4.2: A 82 ASN : amide:sc= -4.48 K(o=-6.6,f=-9.5!) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -1.85! USER MOD Set 5.2: A 19 ASN : amide:sc= -3.65! C(o=-5.5!,f=-1.4!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00235 X(o=-0.0024,f=-0.47) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 23 HIS : no HD1:sc= -3.96! C(o=-4!,f=-7.9!) USER MOD Single : A 25 CYS SG : rot 130:sc= -4.08! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= -0.161 (180deg=-0.828) USER MOD Single : A 36 SER OG : rot 70:sc= 0.391 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.839 USER MOD Single : A 48 SER OG : rot -40:sc= 0.309 USER MOD Single : A 52 TYR OH : rot 2:sc= 0.471 USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= -6.24! (180deg=-6.29!) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0.286 (180deg=0.00016) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.033 (180deg=-0.409) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -144:sc= -1.22 (180deg=-3.24!) USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= -0.876 (180deg=-2.78!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 74 SER OG : rot 153:sc= -0.271 USER MOD Single : A 76 GLN : amide:sc=-0.00624 K(o=-0.0062,f=-0.93) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.509) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 144:sc= -1.23 USER MOD Single : A 91 THR OG1 : rot 70:sc= 0.652 USER MOD Single : A 92 SER OG : rot -39:sc= 0.628 USER MOD Single : A 95 MET CE :methyl -167:sc= -1.95 (180deg=-2.9) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -167:sc= -0.0142 (180deg=-0.284) USER MOD Single : A 112 ASN : amide:sc= -2.23! K(o=-2.2!,f=-1.2) USER MOD Single : A 114 MET CE :methyl -141:sc= -1.2 (180deg=-3.6!) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= -0.254 (180deg=-1.18) USER MOD Single : A 118 SER OG : rot -59:sc= 0.479 USER MOD Single : A 119 TYR OH : rot -20:sc= -2.31! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc=-0.00412 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -173:sc= -3.44! USER MOD Single : A 133 ASN : amide:sc= -0.283! K(o=-0.28!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.886 2.970 -14.162 1.00 17.32 N ATOM 2 CA VAL A 5 -9.411 2.173 -13.005 1.00 16.53 C ATOM 3 C VAL A 5 -10.929 2.311 -12.924 1.00 15.62 C ATOM 4 O VAL A 5 -11.467 3.400 -12.970 1.00 15.21 O ATOM 5 CB VAL A 5 -8.795 2.696 -11.708 1.00 17.91 C ATOM 6 CG1 VAL A 5 -9.329 1.886 -10.527 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.276 2.552 -11.777 1.00 17.86 C ATOM 0 HA VAL A 5 -9.149 1.125 -13.147 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.058 3.746 -11.576 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.890 2.259 -9.602 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.414 1.984 -10.479 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.065 0.836 -10.657 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.833 2.924 -10.853 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -7.016 1.502 -11.907 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -6.894 3.127 -12.620 1.00 17.86 H new ATOM 17 N SER A 6 -11.625 1.218 -12.788 1.00 15.43 N ATOM 18 CA SER A 6 -13.105 1.297 -12.683 1.00 14.66 C ATOM 19 C SER A 6 -13.456 1.897 -11.325 1.00 13.40 C ATOM 20 O SER A 6 -12.699 1.797 -10.381 1.00 12.58 O ATOM 21 CB SER A 6 -13.698 -0.108 -12.793 1.00 15.49 C ATOM 22 OG SER A 6 -13.278 -0.885 -11.678 1.00 15.97 O ATOM 0 H SER A 6 -11.234 0.277 -12.745 1.00 15.43 H new ATOM 0 HA SER A 6 -13.510 1.917 -13.483 1.00 14.66 H new ATOM 0 HB2 SER A 6 -14.786 -0.054 -12.824 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.376 -0.579 -13.721 1.00 15.49 H new ATOM 0 HG SER A 6 -13.658 -1.786 -11.745 1.00 15.97 H new ATOM 28 N GLN A 7 -14.590 2.524 -11.210 1.00 13.37 N ATOM 29 CA GLN A 7 -14.969 3.128 -9.904 1.00 12.23 C ATOM 30 C GLN A 7 -15.274 2.028 -8.892 1.00 11.36 C ATOM 31 O GLN A 7 -15.219 2.239 -7.704 1.00 10.97 O ATOM 32 CB GLN A 7 -16.182 4.038 -10.091 1.00 13.19 C ATOM 33 CG GLN A 7 -15.753 5.275 -10.881 1.00 13.36 C ATOM 34 CD GLN A 7 -16.974 6.135 -11.204 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.008 5.626 -11.587 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.901 7.429 -11.056 1.00 13.77 N ATOM 0 H GLN A 7 -15.270 2.645 -11.961 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.139 3.725 -9.526 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.973 3.508 -10.621 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.587 4.331 -9.122 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.032 5.854 -10.304 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.255 4.974 -11.803 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.033 7.857 -10.734 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.712 8.012 -11.262 1.00 13.77 H new ATOM 45 N GLU A 8 -15.587 0.852 -9.342 1.00 13.01 N ATOM 46 CA GLU A 8 -15.876 -0.246 -8.378 1.00 12.24 C ATOM 47 C GLU A 8 -14.612 -0.548 -7.564 1.00 11.73 C ATOM 48 O GLU A 8 -14.669 -0.817 -6.380 1.00 11.71 O ATOM 49 CB GLU A 8 -16.296 -1.504 -9.142 1.00 13.27 C ATOM 50 CG GLU A 8 -17.612 -1.246 -9.877 1.00 13.55 C ATOM 51 CD GLU A 8 -18.735 -1.034 -8.861 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.562 -1.436 -7.722 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.751 -0.473 -9.239 1.00 14.92 O ATOM 0 H GLU A 8 -15.656 0.600 -10.328 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.682 0.059 -7.711 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.520 -1.785 -9.854 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.412 -2.339 -8.451 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.517 -0.369 -10.517 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.849 -2.089 -10.526 1.00 13.55 H new ATOM 60 N GLU A 9 -13.473 -0.533 -8.203 1.00 11.46 N ATOM 61 CA GLU A 9 -12.197 -0.848 -7.491 1.00 11.12 C ATOM 62 C GLU A 9 -11.755 0.288 -6.553 1.00 10.28 C ATOM 63 O GLU A 9 -11.252 0.039 -5.476 1.00 10.32 O ATOM 64 CB GLU A 9 -11.095 -1.074 -8.529 1.00 12.40 C ATOM 65 CG GLU A 9 -11.309 -2.412 -9.237 1.00 13.24 C ATOM 66 CD GLU A 9 -10.982 -3.556 -8.275 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.333 -3.295 -7.275 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.382 -4.673 -8.557 1.00 14.68 O ATOM 0 H GLU A 9 -13.369 -0.315 -9.194 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.368 -1.738 -6.886 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.099 -0.263 -9.257 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.119 -1.062 -8.044 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.341 -2.494 -9.579 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.674 -2.473 -10.121 1.00 13.24 H new ATOM 75 N VAL A 10 -11.896 1.524 -6.948 1.00 9.75 N ATOM 76 CA VAL A 10 -11.429 2.627 -6.053 1.00 9.10 C ATOM 77 C VAL A 10 -12.177 2.570 -4.715 1.00 7.91 C ATOM 78 O VAL A 10 -11.613 2.838 -3.674 1.00 7.70 O ATOM 79 CB VAL A 10 -11.616 3.990 -6.738 1.00 10.81 C ATOM 80 CG1 VAL A 10 -11.178 3.866 -8.200 1.00 11.69 C ATOM 81 CG2 VAL A 10 -13.085 4.456 -6.659 1.00 11.17 C ATOM 0 H VAL A 10 -12.306 1.817 -7.835 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.365 2.498 -5.854 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.007 4.735 -6.226 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -11.305 4.826 -8.700 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -10.130 3.571 -8.242 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.787 3.113 -8.700 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -13.187 5.423 -7.152 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.725 3.727 -7.155 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.382 4.548 -5.614 1.00 11.17 H new ATOM 91 N LYS A 11 -13.433 2.208 -4.720 1.00 7.38 N ATOM 92 CA LYS A 11 -14.179 2.126 -3.431 1.00 6.32 C ATOM 93 C LYS A 11 -13.474 1.106 -2.541 1.00 5.68 C ATOM 94 O LYS A 11 -13.439 1.234 -1.333 1.00 5.93 O ATOM 95 CB LYS A 11 -15.623 1.663 -3.678 1.00 8.26 C ATOM 96 CG LYS A 11 -16.377 2.645 -4.595 1.00 8.64 C ATOM 97 CD LYS A 11 -16.455 4.062 -4.001 1.00 9.23 C ATOM 98 CE LYS A 11 -16.956 4.019 -2.554 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.463 5.369 -2.176 1.00 10.51 N ATOM 0 H LYS A 11 -13.970 1.968 -5.553 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.203 3.107 -2.957 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.617 0.671 -4.131 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.147 1.576 -2.726 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.880 2.687 -5.564 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -17.386 2.272 -4.771 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -15.471 4.530 -4.036 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.123 4.677 -4.604 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.748 3.277 -2.452 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -16.150 3.719 -1.885 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -17.805 5.349 -1.194 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.695 6.065 -2.260 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -18.243 5.637 -2.809 1.00 10.51 H new ATOM 113 N LYS A 12 -12.905 0.097 -3.137 1.00 5.08 N ATOM 114 CA LYS A 12 -12.194 -0.939 -2.342 1.00 4.72 C ATOM 115 C LYS A 12 -11.064 -0.254 -1.580 1.00 4.34 C ATOM 116 O LYS A 12 -10.762 -0.589 -0.456 1.00 4.65 O ATOM 117 CB LYS A 12 -11.590 -1.991 -3.284 1.00 6.91 C ATOM 118 CG LYS A 12 -12.642 -2.496 -4.283 1.00 7.86 C ATOM 119 CD LYS A 12 -13.687 -3.356 -3.577 1.00 8.86 C ATOM 120 CE LYS A 12 -14.657 -3.927 -4.612 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.598 -4.867 -3.940 1.00 10.82 N ATOM 0 H LYS A 12 -12.902 -0.055 -4.146 1.00 5.08 H new ATOM 0 HA LYS A 12 -12.887 -1.426 -1.656 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -10.746 -1.561 -3.824 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.203 -2.828 -2.702 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.128 -1.649 -4.767 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -12.157 -3.076 -5.068 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -13.201 -4.165 -3.033 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.230 -2.760 -2.844 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -15.211 -3.120 -5.091 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.106 -4.445 -5.397 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -16.259 -5.257 -4.642 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.061 -5.642 -3.502 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -16.132 -4.359 -3.207 1.00 10.82 H new ATOM 135 N TRP A 13 -10.434 0.711 -2.186 1.00 4.15 N ATOM 136 CA TRP A 13 -9.329 1.413 -1.491 1.00 3.58 C ATOM 137 C TRP A 13 -9.879 2.051 -0.217 1.00 2.38 C ATOM 138 O TRP A 13 -9.230 2.074 0.803 1.00 2.83 O ATOM 139 CB TRP A 13 -8.763 2.519 -2.384 1.00 4.70 C ATOM 140 CG TRP A 13 -8.201 1.955 -3.651 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.228 0.656 -4.032 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.521 2.675 -4.712 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.615 0.542 -5.270 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.160 1.765 -5.727 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.190 4.026 -4.883 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.490 2.186 -6.880 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.518 4.456 -6.035 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.168 3.538 -7.032 1.00 6.26 C ATOM 0 H TRP A 13 -10.637 1.041 -3.129 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.540 0.698 -1.257 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.548 3.238 -2.619 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.985 3.061 -1.847 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.656 -0.157 -3.465 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.512 -0.335 -5.780 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.455 4.742 -4.120 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.224 1.473 -7.646 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.269 5.500 -6.154 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.650 3.874 -7.918 1.00 6.26 H new ATOM 159 N ALA A 14 -11.073 2.579 -0.272 1.00 0.01 N ATOM 160 CA ALA A 14 -11.662 3.232 0.932 1.00 0.01 C ATOM 161 C ALA A 14 -12.119 2.169 1.936 1.00 0.01 C ATOM 162 O ALA A 14 -12.528 2.481 3.037 1.00 0.01 O ATOM 163 CB ALA A 14 -12.860 4.086 0.502 1.00 0.00 C ATOM 0 H ALA A 14 -11.667 2.586 -1.101 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.910 3.863 1.407 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.297 4.567 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.529 4.848 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.607 3.451 0.026 1.00 0.00 H new ATOM 169 N GLU A 15 -12.047 0.914 1.574 1.00 0.01 N ATOM 170 CA GLU A 15 -12.472 -0.160 2.522 1.00 0.01 C ATOM 171 C GLU A 15 -11.296 -0.527 3.436 1.00 0.01 C ATOM 172 O GLU A 15 -11.472 -0.772 4.612 1.00 0.01 O ATOM 173 CB GLU A 15 -12.922 -1.397 1.737 1.00 0.01 C ATOM 174 CG GLU A 15 -14.229 -1.089 1.004 1.00 0.01 C ATOM 175 CD GLU A 15 -15.364 -0.957 2.020 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.237 -1.516 3.096 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.342 -0.300 1.704 1.00 0.01 O ATOM 0 H GLU A 15 -11.714 0.587 0.667 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.304 0.200 3.127 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.152 -1.687 1.023 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.062 -2.239 2.414 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.129 -0.166 0.432 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.455 -1.883 0.292 1.00 0.01 H new ATOM 184 N SER A 16 -10.094 -0.560 2.912 1.00 0.01 N ATOM 185 CA SER A 16 -8.924 -0.906 3.774 1.00 0.01 C ATOM 186 C SER A 16 -7.612 -0.717 3.004 1.00 0.00 C ATOM 187 O SER A 16 -7.579 -0.736 1.790 1.00 0.00 O ATOM 188 CB SER A 16 -9.041 -2.359 4.241 1.00 0.01 C ATOM 189 OG SER A 16 -9.429 -3.173 3.141 1.00 0.01 O ATOM 0 H SER A 16 -9.875 -0.364 1.935 1.00 0.01 H new ATOM 0 HA SER A 16 -8.920 -0.242 4.639 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.088 -2.702 4.645 1.00 0.01 H new ATOM 0 HB3 SER A 16 -9.774 -2.438 5.044 1.00 0.01 H new ATOM 0 HG SER A 16 -9.504 -4.105 3.434 1.00 0.01 H new ATOM 195 N LEU A 17 -6.533 -0.515 3.715 1.00 0.00 N ATOM 196 CA LEU A 17 -5.215 -0.299 3.050 1.00 0.00 C ATOM 197 C LEU A 17 -4.856 -1.519 2.200 1.00 0.01 C ATOM 198 O LEU A 17 -4.357 -1.396 1.097 1.00 0.00 O ATOM 199 CB LEU A 17 -4.135 -0.118 4.121 1.00 0.01 C ATOM 200 CG LEU A 17 -2.779 0.167 3.465 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.847 1.474 2.652 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.729 0.298 4.569 1.00 0.00 C ATOM 0 H LEU A 17 -6.509 -0.490 4.734 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.276 0.586 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.405 0.703 4.785 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.068 -1.016 4.735 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.516 -0.646 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.878 1.666 2.191 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.607 1.381 1.876 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.104 2.301 3.314 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.755 0.501 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.001 1.117 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.681 -0.631 5.137 1.00 0.00 H new ATOM 214 N GLU A 18 -5.087 -2.692 2.712 1.00 0.01 N ATOM 215 CA GLU A 18 -4.741 -3.923 1.955 1.00 0.00 C ATOM 216 C GLU A 18 -5.378 -3.862 0.568 1.00 0.00 C ATOM 217 O GLU A 18 -4.775 -4.237 -0.417 1.00 0.01 O ATOM 218 CB GLU A 18 -5.279 -5.134 2.715 1.00 0.01 C ATOM 219 CG GLU A 18 -4.468 -5.327 3.998 1.00 0.01 C ATOM 220 CD GLU A 18 -5.007 -6.534 4.764 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.023 -7.067 4.350 1.00 0.01 O ATOM 222 OE2 GLU A 18 -4.399 -6.902 5.756 1.00 0.01 O ATOM 0 H GLU A 18 -5.504 -2.852 3.629 1.00 0.01 H new ATOM 0 HA GLU A 18 -3.659 -4.005 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.332 -4.988 2.955 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.214 -6.026 2.093 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -3.416 -5.476 3.757 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -4.529 -4.432 4.618 1.00 0.01 H new ATOM 229 N ASN A 19 -6.584 -3.383 0.475 1.00 0.01 N ATOM 230 CA ASN A 19 -7.239 -3.291 -0.857 1.00 0.00 C ATOM 231 C ASN A 19 -6.424 -2.352 -1.747 1.00 0.00 C ATOM 232 O ASN A 19 -6.162 -2.638 -2.900 1.00 0.01 O ATOM 233 CB ASN A 19 -8.646 -2.727 -0.683 1.00 0.01 C ATOM 234 CG ASN A 19 -9.527 -3.762 0.013 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.367 -4.950 -0.184 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.452 -3.357 0.837 1.00 0.01 N ATOM 0 H ASN A 19 -7.144 -3.052 1.261 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.294 -4.279 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.611 -1.809 -0.096 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.068 -2.468 -1.654 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.041 -4.038 1.316 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -10.586 -2.360 1.003 1.00 0.01 H new ATOM 243 N LEU A 20 -6.010 -1.235 -1.214 1.00 0.00 N ATOM 244 CA LEU A 20 -5.200 -0.281 -2.017 1.00 0.01 C ATOM 245 C LEU A 20 -3.921 -0.989 -2.460 1.00 0.01 C ATOM 246 O LEU A 20 -3.474 -0.864 -3.582 1.00 0.00 O ATOM 247 CB LEU A 20 -4.832 0.925 -1.141 1.00 0.00 C ATOM 248 CG LEU A 20 -3.992 1.938 -1.938 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.821 2.532 -3.085 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.555 3.058 -0.991 1.00 0.01 C ATOM 0 H LEU A 20 -6.199 -0.943 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.764 0.058 -2.886 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.739 1.405 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.274 0.589 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.121 1.437 -2.362 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.214 3.247 -3.640 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.143 1.733 -3.753 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.696 3.038 -2.677 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.958 3.786 -1.540 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.436 3.549 -0.577 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.960 2.638 -0.180 1.00 0.01 H new ATOM 262 N ILE A 21 -3.329 -1.724 -1.562 1.00 0.01 N ATOM 263 CA ILE A 21 -2.068 -2.450 -1.870 1.00 0.00 C ATOM 264 C ILE A 21 -2.367 -3.734 -2.652 1.00 0.00 C ATOM 265 O ILE A 21 -1.533 -4.232 -3.382 1.00 0.00 O ATOM 266 CB ILE A 21 -1.376 -2.788 -0.545 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.960 -1.479 0.130 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.142 -3.660 -0.795 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.401 -1.763 1.526 1.00 0.01 C ATOM 0 H ILE A 21 -3.673 -1.854 -0.611 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.420 -1.825 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.061 -3.342 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.209 -0.971 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.817 -0.809 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.339 -3.892 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.444 -4.586 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.559 -3.124 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.108 -0.825 1.998 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.165 -2.251 2.131 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.468 -2.415 1.444 1.00 0.01 H new ATOM 281 N ASN A 22 -3.536 -4.294 -2.487 1.00 0.00 N ATOM 282 CA ASN A 22 -3.870 -5.568 -3.199 1.00 0.01 C ATOM 283 C ASN A 22 -4.518 -5.292 -4.563 1.00 0.01 C ATOM 284 O ASN A 22 -4.846 -6.210 -5.288 1.00 0.01 O ATOM 285 CB ASN A 22 -4.832 -6.385 -2.338 1.00 0.01 C ATOM 286 CG ASN A 22 -4.085 -6.910 -1.110 1.00 0.01 C ATOM 287 OD1 ASN A 22 -2.890 -7.120 -1.158 1.00 0.01 O ATOM 288 ND2 ASN A 22 -4.742 -7.125 -0.003 1.00 0.01 N ATOM 0 H ASN A 22 -4.276 -3.926 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.946 -6.121 -3.367 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.676 -5.768 -2.029 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.239 -7.216 -2.914 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.252 -7.470 0.822 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -5.746 -6.948 0.037 1.00 0.01 H new ATOM 295 N HIS A 23 -4.700 -4.050 -4.935 1.00 0.01 N ATOM 296 CA HIS A 23 -5.323 -3.760 -6.270 1.00 0.01 C ATOM 297 C HIS A 23 -4.215 -3.602 -7.316 1.00 0.01 C ATOM 298 O HIS A 23 -3.177 -3.039 -7.051 1.00 0.01 O ATOM 299 CB HIS A 23 -6.142 -2.473 -6.196 1.00 0.00 C ATOM 300 CG HIS A 23 -6.885 -2.291 -7.489 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.985 -3.306 -8.425 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.568 -1.225 -8.017 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.704 -2.833 -9.460 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.083 -1.569 -9.262 1.00 0.01 N ATOM 0 H HIS A 23 -4.449 -3.231 -4.382 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.981 -4.583 -6.549 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.843 -2.520 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.488 -1.620 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.688 -0.264 -7.538 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.945 -3.407 -10.343 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.632 -0.981 -9.889 1.00 0.01 H new ATOM 312 N GLU A 24 -4.422 -4.117 -8.498 1.00 0.01 N ATOM 313 CA GLU A 24 -3.369 -4.019 -9.554 1.00 0.01 C ATOM 314 C GLU A 24 -3.046 -2.554 -9.864 1.00 0.01 C ATOM 315 O GLU A 24 -1.894 -2.174 -9.982 1.00 0.01 O ATOM 316 CB GLU A 24 -3.863 -4.702 -10.830 1.00 0.01 C ATOM 317 CG GLU A 24 -2.732 -4.718 -11.859 1.00 0.01 C ATOM 318 CD GLU A 24 -3.168 -5.517 -13.087 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.220 -6.132 -13.026 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.442 -5.503 -14.067 1.00 0.00 O ATOM 0 H GLU A 24 -5.274 -4.602 -8.780 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.467 -4.510 -9.189 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.186 -5.720 -10.611 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.728 -4.172 -11.230 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.475 -3.699 -12.148 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.836 -5.161 -11.423 1.00 0.01 H new ATOM 327 N CYS A 25 -4.040 -1.716 -9.995 1.00 0.01 N ATOM 328 CA CYS A 25 -3.749 -0.288 -10.303 1.00 0.01 C ATOM 329 C CYS A 25 -3.422 0.437 -9.008 1.00 0.01 C ATOM 330 O CYS A 25 -2.569 1.300 -8.972 1.00 0.00 O ATOM 331 CB CYS A 25 -4.953 0.373 -10.970 1.00 0.01 C ATOM 332 SG CYS A 25 -4.408 1.908 -11.761 1.00 0.00 S ATOM 0 H CYS A 25 -5.027 -1.955 -9.903 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.903 -0.234 -10.988 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.391 -0.298 -11.709 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.727 0.583 -10.231 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.832 1.937 -12.990 1.00 0.00 H new ATOM 338 N GLY A 26 -4.058 0.077 -7.927 1.00 0.01 N ATOM 339 CA GLY A 26 -3.720 0.748 -6.650 1.00 0.01 C ATOM 340 C GLY A 26 -2.235 0.523 -6.422 1.00 0.01 C ATOM 341 O GLY A 26 -1.520 1.416 -6.027 1.00 0.01 O ATOM 0 H GLY A 26 -4.783 -0.639 -7.876 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.948 1.813 -6.700 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.305 0.335 -5.828 1.00 0.01 H new ATOM 345 N LEU A 27 -1.763 -0.663 -6.725 1.00 0.01 N ATOM 346 CA LEU A 27 -0.311 -0.953 -6.579 1.00 0.00 C ATOM 347 C LEU A 27 0.466 0.052 -7.430 1.00 0.00 C ATOM 348 O LEU A 27 1.426 0.646 -6.984 1.00 0.00 O ATOM 349 CB LEU A 27 -0.013 -2.381 -7.060 1.00 0.00 C ATOM 350 CG LEU A 27 -0.384 -3.399 -5.969 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.359 -4.805 -6.573 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.616 -3.324 -4.794 1.00 0.01 C ATOM 0 H LEU A 27 -2.327 -1.441 -7.068 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.015 -0.869 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.576 -2.591 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.044 -2.475 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.380 -3.170 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.621 -5.535 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.078 -4.863 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.640 -5.020 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.337 -4.052 -4.032 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.620 -3.545 -5.156 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.597 -2.323 -4.364 1.00 0.01 H new ATOM 364 N ALA A 28 0.052 0.250 -8.656 1.00 0.00 N ATOM 365 CA ALA A 28 0.770 1.221 -9.537 1.00 0.00 C ATOM 366 C ALA A 28 0.740 2.623 -8.917 1.00 0.01 C ATOM 367 O ALA A 28 1.760 3.259 -8.748 1.00 0.00 O ATOM 368 CB ALA A 28 0.085 1.262 -10.904 1.00 0.00 C ATOM 0 H ALA A 28 -0.748 -0.216 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 28 1.807 0.902 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.605 1.969 -11.550 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.113 0.270 -11.355 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.952 1.576 -10.782 1.00 0.00 H new ATOM 374 N ALA A 29 -0.423 3.106 -8.577 1.00 0.00 N ATOM 375 CA ALA A 29 -0.524 4.466 -7.969 1.00 0.01 C ATOM 376 C ALA A 29 0.103 4.436 -6.577 1.00 0.00 C ATOM 377 O ALA A 29 0.772 5.360 -6.155 1.00 0.00 O ATOM 378 CB ALA A 29 -1.996 4.865 -7.854 1.00 0.01 C ATOM 0 H ALA A 29 -1.311 2.618 -8.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.001 5.189 -8.595 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.070 5.858 -7.410 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.449 4.876 -8.846 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.520 4.146 -7.224 1.00 0.01 H new ATOM 384 N PHE A 30 -0.120 3.371 -5.866 1.00 0.00 N ATOM 385 CA PHE A 30 0.439 3.237 -4.495 1.00 0.00 C ATOM 386 C PHE A 30 1.967 3.308 -4.540 1.00 0.00 C ATOM 387 O PHE A 30 2.577 4.059 -3.807 1.00 0.00 O ATOM 388 CB PHE A 30 0.000 1.889 -3.941 1.00 0.00 C ATOM 389 CG PHE A 30 0.721 1.593 -2.676 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.186 1.998 -1.464 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.924 0.893 -2.724 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.855 1.705 -0.288 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.598 0.599 -1.551 1.00 0.00 C ATOM 394 CZ PHE A 30 2.068 1.003 -0.327 1.00 0.00 C ATOM 0 H PHE A 30 -0.674 2.575 -6.181 1.00 0.00 H new ATOM 0 HA PHE A 30 0.078 4.046 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.075 1.894 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.198 1.105 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.748 2.539 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.330 0.580 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.442 2.017 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.532 0.058 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.591 0.776 0.590 1.00 0.00 H new ATOM 404 N LYS A 31 2.597 2.547 -5.391 1.00 0.00 N ATOM 405 CA LYS A 31 4.076 2.612 -5.452 1.00 0.00 C ATOM 406 C LYS A 31 4.481 4.043 -5.781 1.00 0.00 C ATOM 407 O LYS A 31 5.416 4.574 -5.222 1.00 0.00 O ATOM 408 CB LYS A 31 4.597 1.651 -6.519 1.00 0.00 C ATOM 409 CG LYS A 31 4.423 0.216 -6.022 1.00 0.00 C ATOM 410 CD LYS A 31 4.954 -0.768 -7.070 1.00 0.00 C ATOM 411 CE LYS A 31 4.011 -0.837 -8.276 1.00 0.01 C ATOM 412 NZ LYS A 31 4.257 -2.105 -9.019 1.00 0.00 N ATOM 0 H LYS A 31 2.156 1.893 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 31 4.505 2.320 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.054 1.795 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.648 1.853 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.956 0.081 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.370 0.016 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.947 -0.459 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.058 -1.758 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.974 -0.791 -7.945 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.175 0.019 -8.930 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.619 -2.156 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.244 -2.130 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.080 -2.915 -8.391 1.00 0.00 H new ATOM 426 N ALA A 32 3.769 4.685 -6.661 1.00 0.00 N ATOM 427 CA ALA A 32 4.108 6.095 -6.992 1.00 0.00 C ATOM 428 C ALA A 32 3.812 6.962 -5.772 1.00 0.01 C ATOM 429 O ALA A 32 4.530 7.897 -5.470 1.00 0.00 O ATOM 430 CB ALA A 32 3.262 6.569 -8.174 1.00 0.00 C ATOM 0 H ALA A 32 2.971 4.297 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 32 5.162 6.170 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.515 7.602 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.462 5.938 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.205 6.505 -7.914 1.00 0.00 H new ATOM 436 N PHE A 33 2.756 6.660 -5.068 1.00 0.00 N ATOM 437 CA PHE A 33 2.409 7.462 -3.864 1.00 0.00 C ATOM 438 C PHE A 33 3.557 7.393 -2.852 1.00 0.00 C ATOM 439 O PHE A 33 3.967 8.394 -2.298 1.00 0.00 O ATOM 440 CB PHE A 33 1.127 6.914 -3.236 1.00 0.00 C ATOM 441 CG PHE A 33 0.782 7.734 -2.021 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.007 8.882 -2.155 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.248 7.346 -0.760 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.328 9.644 -1.027 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.927 8.107 0.368 1.00 0.00 C ATOM 446 CZ PHE A 33 0.140 9.257 0.234 1.00 0.00 C ATOM 0 H PHE A 33 2.119 5.891 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 33 2.250 8.501 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.311 6.949 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.262 5.869 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.368 9.179 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.855 6.459 -0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.937 10.530 -1.129 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.286 7.808 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.106 9.846 1.105 1.00 0.00 H new ATOM 456 N LEU A 34 4.088 6.223 -2.610 1.00 0.00 N ATOM 457 CA LEU A 34 5.216 6.108 -1.637 1.00 0.00 C ATOM 458 C LEU A 34 6.377 6.950 -2.143 1.00 0.00 C ATOM 459 O LEU A 34 7.043 7.636 -1.393 1.00 0.00 O ATOM 460 CB LEU A 34 5.696 4.658 -1.549 1.00 0.00 C ATOM 461 CG LEU A 34 4.594 3.740 -1.009 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.106 2.288 -1.024 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.222 4.148 0.428 1.00 0.00 C ATOM 0 H LEU A 34 3.792 5.347 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 34 4.875 6.443 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.007 4.315 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.571 4.601 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 34 3.706 3.827 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.330 1.625 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.358 2.001 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.993 2.209 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.438 3.489 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.100 4.067 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.864 5.177 0.433 1.00 0.00 H new ATOM 475 N LYS A 35 6.620 6.896 -3.419 1.00 0.00 N ATOM 476 CA LYS A 35 7.732 7.684 -4.001 1.00 0.00 C ATOM 477 C LYS A 35 7.465 9.157 -3.718 1.00 0.01 C ATOM 478 O LYS A 35 8.364 9.917 -3.415 1.00 0.00 O ATOM 479 CB LYS A 35 7.807 7.413 -5.504 1.00 0.00 C ATOM 480 CG LYS A 35 8.302 5.977 -5.714 1.00 0.00 C ATOM 481 CD LYS A 35 8.392 5.660 -7.208 1.00 0.00 C ATOM 482 CE LYS A 35 8.845 4.209 -7.392 1.00 0.00 C ATOM 483 NZ LYS A 35 7.808 3.291 -6.832 1.00 0.01 N ATOM 0 H LYS A 35 6.091 6.335 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 35 8.688 7.403 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.827 7.547 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.483 8.121 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.280 5.850 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.624 5.276 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.423 5.813 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.095 6.337 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.002 3.997 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.799 4.048 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.191 2.802 -5.998 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 6.970 3.841 -6.556 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.540 2.590 -7.552 1.00 0.01 H new ATOM 497 N SER A 36 6.227 9.560 -3.780 1.00 0.00 N ATOM 498 CA SER A 36 5.896 10.975 -3.477 1.00 0.00 C ATOM 499 C SER A 36 6.277 11.234 -2.021 1.00 0.00 C ATOM 500 O SER A 36 6.558 12.348 -1.623 1.00 0.00 O ATOM 501 CB SER A 36 4.396 11.208 -3.669 1.00 0.00 C ATOM 502 OG SER A 36 4.012 10.766 -4.965 1.00 0.00 O ATOM 0 H SER A 36 5.433 8.970 -4.027 1.00 0.00 H new ATOM 0 HA SER A 36 6.437 11.648 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.833 10.669 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.163 12.266 -3.549 1.00 0.00 H new ATOM 0 HG SER A 36 4.064 9.788 -5.006 1.00 0.00 H new ATOM 508 N GLU A 37 6.295 10.190 -1.225 1.00 0.00 N ATOM 509 CA GLU A 37 6.664 10.324 0.217 1.00 0.00 C ATOM 510 C GLU A 37 8.054 9.724 0.430 1.00 0.00 C ATOM 511 O GLU A 37 8.501 9.544 1.545 1.00 0.00 O ATOM 512 CB GLU A 37 5.657 9.553 1.073 1.00 0.00 C ATOM 513 CG GLU A 37 4.281 10.201 0.947 1.00 0.00 C ATOM 514 CD GLU A 37 3.274 9.432 1.804 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.628 8.369 2.289 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.167 9.920 1.963 1.00 0.00 O ATOM 0 H GLU A 37 6.067 9.240 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 37 6.660 11.376 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.612 8.512 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.976 9.551 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.327 11.242 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.962 10.202 -0.095 1.00 0.00 H new ATOM 523 N TYR A 38 8.734 9.406 -0.638 1.00 0.00 N ATOM 524 CA TYR A 38 10.092 8.810 -0.513 1.00 0.00 C ATOM 525 C TYR A 38 10.021 7.617 0.439 1.00 0.00 C ATOM 526 O TYR A 38 10.903 7.399 1.248 1.00 0.00 O ATOM 527 CB TYR A 38 11.057 9.857 0.041 1.00 0.00 C ATOM 528 CG TYR A 38 11.092 11.034 -0.901 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.982 11.044 -1.983 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.225 12.113 -0.698 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.004 12.134 -2.859 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.247 13.203 -1.574 1.00 0.00 C ATOM 533 CZ TYR A 38 11.137 13.215 -2.656 1.00 0.01 C ATOM 534 OH TYR A 38 11.158 14.288 -3.518 1.00 0.00 O ATOM 0 H TYR A 38 8.405 9.534 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 38 10.446 8.480 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.738 10.177 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.054 9.431 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.651 10.211 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.538 12.104 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.690 12.142 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.578 14.036 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 38 10.493 14.949 -3.233 1.00 0.00 H new ATOM 544 N SER A 39 8.966 6.850 0.345 1.00 0.00 N ATOM 545 CA SER A 39 8.793 5.658 1.230 1.00 0.00 C ATOM 546 C SER A 39 8.824 4.390 0.372 1.00 0.00 C ATOM 547 O SER A 39 8.120 3.437 0.633 1.00 0.00 O ATOM 548 CB SER A 39 7.445 5.769 1.955 1.00 0.00 C ATOM 549 OG SER A 39 6.489 6.352 1.077 1.00 0.00 O ATOM 0 H SER A 39 8.205 7.001 -0.317 1.00 0.00 H new ATOM 0 HA SER A 39 9.596 5.613 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.109 4.783 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.550 6.377 2.853 1.00 0.00 H new ATOM 0 HG SER A 39 5.625 6.424 1.535 1.00 0.00 H new ATOM 555 N GLU A 40 9.628 4.366 -0.655 1.00 0.00 N ATOM 556 CA GLU A 40 9.680 3.152 -1.517 1.00 0.00 C ATOM 557 C GLU A 40 10.259 1.987 -0.715 1.00 0.00 C ATOM 558 O GLU A 40 9.962 0.839 -0.965 1.00 0.00 O ATOM 559 CB GLU A 40 10.545 3.416 -2.754 1.00 0.00 C ATOM 560 CG GLU A 40 12.011 3.600 -2.351 1.00 0.00 C ATOM 561 CD GLU A 40 12.821 4.028 -3.575 1.00 0.00 C ATOM 562 OE1 GLU A 40 13.123 3.171 -4.391 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.126 5.205 -3.679 1.00 0.00 O ATOM 0 H GLU A 40 10.247 5.128 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 40 8.671 2.902 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.455 2.584 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.189 4.307 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.093 4.351 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.408 2.670 -1.945 1.00 0.00 H new ATOM 570 N GLU A 41 11.077 2.264 0.257 1.00 0.00 N ATOM 571 CA GLU A 41 11.642 1.152 1.064 1.00 0.00 C ATOM 572 C GLU A 41 10.507 0.461 1.816 1.00 0.00 C ATOM 573 O GLU A 41 10.566 -0.717 2.106 1.00 0.00 O ATOM 574 CB GLU A 41 12.686 1.684 2.051 1.00 0.00 C ATOM 575 CG GLU A 41 12.109 2.839 2.880 1.00 0.00 C ATOM 576 CD GLU A 41 12.165 4.139 2.072 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.580 4.085 0.925 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.800 5.168 2.616 1.00 0.00 O ATOM 0 H GLU A 41 11.377 3.201 0.526 1.00 0.00 H new ATOM 0 HA GLU A 41 12.134 0.437 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.010 0.881 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.567 2.025 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.079 2.618 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.673 2.951 3.806 1.00 0.00 H new ATOM 585 N ASN A 42 9.468 1.186 2.134 1.00 0.00 N ATOM 586 CA ASN A 42 8.332 0.572 2.867 1.00 0.00 C ATOM 587 C ASN A 42 7.741 -0.573 2.039 1.00 0.00 C ATOM 588 O ASN A 42 7.457 -1.633 2.558 1.00 0.00 O ATOM 589 CB ASN A 42 7.254 1.627 3.125 1.00 0.00 C ATOM 590 CG ASN A 42 7.755 2.638 4.161 1.00 0.00 C ATOM 591 OD1 ASN A 42 7.157 3.680 4.348 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.837 2.380 4.844 1.00 0.00 N ATOM 0 H ASN A 42 9.360 2.177 1.916 1.00 0.00 H new ATOM 0 HA ASN A 42 8.690 0.181 3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.003 2.139 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.342 1.149 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.178 3.051 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.341 1.507 4.690 1.00 0.00 H new ATOM 599 N ILE A 43 7.553 -0.387 0.753 1.00 0.00 N ATOM 600 CA ILE A 43 6.985 -1.505 -0.053 1.00 0.00 C ATOM 601 C ILE A 43 8.031 -2.617 -0.173 1.00 0.00 C ATOM 602 O ILE A 43 7.713 -3.783 -0.066 1.00 0.00 O ATOM 603 CB ILE A 43 6.511 -1.003 -1.440 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.862 -2.161 -2.237 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.671 -0.406 -2.251 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.434 -2.451 -1.732 1.00 0.00 C ATOM 0 H ILE A 43 7.763 0.469 0.241 1.00 0.00 H new ATOM 0 HA ILE A 43 6.106 -1.908 0.449 1.00 0.00 H new ATOM 0 HB ILE A 43 5.774 -0.218 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.832 -1.905 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.473 -3.058 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.301 -0.064 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.099 0.437 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.437 -1.166 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.003 -3.269 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.470 -2.730 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.818 -1.559 -1.850 1.00 0.00 H new ATOM 618 N ASP A 44 9.277 -2.277 -0.357 1.00 0.00 N ATOM 619 CA ASP A 44 10.309 -3.340 -0.438 1.00 0.00 C ATOM 620 C ASP A 44 10.362 -4.011 0.929 1.00 0.00 C ATOM 621 O ASP A 44 10.452 -5.217 1.051 1.00 0.00 O ATOM 622 CB ASP A 44 11.668 -2.721 -0.777 1.00 0.00 C ATOM 623 CG ASP A 44 11.654 -2.220 -2.223 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.818 -2.684 -2.983 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.477 -1.380 -2.547 1.00 0.00 O ATOM 0 H ASP A 44 9.619 -1.321 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 44 10.068 -4.064 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.884 -1.897 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.459 -3.459 -0.644 1.00 0.00 H new ATOM 630 N PHE A 45 10.264 -3.218 1.960 1.00 0.00 N ATOM 631 CA PHE A 45 10.262 -3.762 3.341 1.00 0.00 C ATOM 632 C PHE A 45 9.001 -4.607 3.524 1.00 0.00 C ATOM 633 O PHE A 45 9.016 -5.645 4.155 1.00 0.00 O ATOM 634 CB PHE A 45 10.268 -2.602 4.334 1.00 0.00 C ATOM 635 CG PHE A 45 10.278 -3.137 5.742 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.492 -3.477 6.343 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.077 -3.299 6.442 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.511 -3.981 7.646 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.095 -3.803 7.747 1.00 0.00 C ATOM 640 CZ PHE A 45 10.313 -4.144 8.349 1.00 0.00 C ATOM 0 H PHE A 45 10.184 -2.203 1.900 1.00 0.00 H new ATOM 0 HA PHE A 45 11.144 -4.379 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.143 -1.973 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.390 -1.974 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.417 -3.350 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.139 -3.036 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.450 -4.244 8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.170 -3.929 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.327 -4.533 9.356 1.00 0.00 H new ATOM 650 N TRP A 46 7.902 -4.160 2.969 1.00 0.00 N ATOM 651 CA TRP A 46 6.628 -4.922 3.097 1.00 0.00 C ATOM 652 C TRP A 46 6.813 -6.309 2.487 1.00 0.00 C ATOM 653 O TRP A 46 6.358 -7.301 3.022 1.00 0.00 O ATOM 654 CB TRP A 46 5.517 -4.180 2.347 1.00 0.00 C ATOM 655 CG TRP A 46 4.231 -4.940 2.457 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.446 -4.990 3.558 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.562 -5.747 1.442 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.342 -5.779 3.284 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.369 -6.268 1.994 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.873 -6.075 0.109 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.514 -7.085 1.251 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.016 -6.898 -0.641 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.839 -7.400 -0.071 1.00 0.00 C ATOM 0 H TRP A 46 7.835 -3.296 2.431 1.00 0.00 H new ATOM 0 HA TRP A 46 6.357 -5.016 4.149 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.394 -3.179 2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.791 -4.061 1.299 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.648 -4.495 4.497 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.599 -5.975 3.954 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.777 -5.691 -0.341 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.608 -7.471 1.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.266 -7.145 -1.662 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.183 -8.030 -0.653 1.00 0.00 H new ATOM 674 N ILE A 47 7.490 -6.392 1.376 1.00 0.00 N ATOM 675 CA ILE A 47 7.716 -7.719 0.744 1.00 0.00 C ATOM 676 C ILE A 47 8.650 -8.534 1.636 1.00 0.00 C ATOM 677 O ILE A 47 8.470 -9.720 1.826 1.00 0.00 O ATOM 678 CB ILE A 47 8.349 -7.531 -0.635 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.399 -6.724 -1.523 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.592 -8.902 -1.271 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.118 -6.316 -2.810 1.00 0.00 C ATOM 0 H ILE A 47 7.896 -5.599 0.880 1.00 0.00 H new ATOM 0 HA ILE A 47 6.767 -8.242 0.628 1.00 0.00 H new ATOM 0 HB ILE A 47 9.296 -7.000 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.516 -7.317 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.054 -5.837 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.043 -8.772 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.263 -9.483 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.643 -9.429 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.439 -5.742 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.987 -5.706 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.441 -7.209 -3.345 1.00 0.00 H new ATOM 693 N SER A 48 9.649 -7.902 2.195 1.00 0.00 N ATOM 694 CA SER A 48 10.587 -8.641 3.081 1.00 0.00 C ATOM 695 C SER A 48 9.830 -9.123 4.319 1.00 0.00 C ATOM 696 O SER A 48 9.960 -10.258 4.734 1.00 0.00 O ATOM 697 CB SER A 48 11.725 -7.710 3.505 1.00 0.00 C ATOM 698 OG SER A 48 11.217 -6.719 4.390 1.00 0.00 O ATOM 0 H SER A 48 9.853 -6.910 2.075 1.00 0.00 H new ATOM 0 HA SER A 48 11.001 -9.497 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.514 -8.281 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.170 -7.238 2.629 1.00 0.00 H new ATOM 0 HG SER A 48 10.339 -6.419 4.075 1.00 0.00 H new ATOM 704 N CYS A 49 9.026 -8.276 4.909 1.00 0.00 N ATOM 705 CA CYS A 49 8.253 -8.700 6.111 1.00 0.00 C ATOM 706 C CYS A 49 7.155 -9.682 5.682 1.00 0.00 C ATOM 707 O CYS A 49 6.809 -10.599 6.400 1.00 0.01 O ATOM 708 CB CYS A 49 7.635 -7.472 6.792 1.00 0.00 C ATOM 709 SG CYS A 49 6.124 -6.969 5.929 1.00 0.01 S ATOM 0 H CYS A 49 8.873 -7.313 4.610 1.00 0.00 H new ATOM 0 HA CYS A 49 8.917 -9.192 6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.408 -7.701 7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.351 -6.650 6.795 1.00 0.00 H new ATOM 0 HG CYS A 49 5.087 -7.316 6.632 1.00 0.01 H new ATOM 715 N GLU A 50 6.605 -9.492 4.511 1.00 0.00 N ATOM 716 CA GLU A 50 5.537 -10.412 4.029 1.00 0.00 C ATOM 717 C GLU A 50 6.097 -11.830 3.953 1.00 0.01 C ATOM 718 O GLU A 50 5.521 -12.769 4.464 1.00 0.00 O ATOM 719 CB GLU A 50 5.080 -9.966 2.634 1.00 0.01 C ATOM 720 CG GLU A 50 4.015 -10.928 2.098 1.00 0.00 C ATOM 721 CD GLU A 50 3.499 -10.421 0.750 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.828 -9.301 0.396 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.786 -11.163 0.094 1.00 0.00 O ATOM 0 H GLU A 50 6.851 -8.739 3.869 1.00 0.00 H new ATOM 0 HA GLU A 50 4.690 -10.390 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.677 -8.954 2.681 1.00 0.01 H new ATOM 0 HB3 GLU A 50 5.932 -9.939 1.955 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.436 -11.927 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.192 -11.007 2.808 1.00 0.00 H new ATOM 730 N GLU A 51 7.228 -11.982 3.326 1.00 0.01 N ATOM 731 CA GLU A 51 7.850 -13.326 3.218 1.00 0.00 C ATOM 732 C GLU A 51 8.133 -13.838 4.627 1.00 0.01 C ATOM 733 O GLU A 51 7.990 -15.007 4.923 1.00 0.00 O ATOM 734 CB GLU A 51 9.155 -13.206 2.432 1.00 0.00 C ATOM 735 CG GLU A 51 8.830 -12.868 0.977 1.00 0.00 C ATOM 736 CD GLU A 51 10.122 -12.555 0.223 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.173 -12.616 0.838 1.00 0.00 O ATOM 738 OE2 GLU A 51 10.037 -12.259 -0.959 1.00 0.01 O ATOM 0 H GLU A 51 7.750 -11.227 2.881 1.00 0.01 H new ATOM 0 HA GLU A 51 7.186 -14.020 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.786 -12.431 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.714 -14.140 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.315 -13.705 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.155 -12.013 0.934 1.00 0.00 H new ATOM 745 N TYR A 52 8.531 -12.954 5.499 1.00 0.00 N ATOM 746 CA TYR A 52 8.829 -13.352 6.899 1.00 0.01 C ATOM 747 C TYR A 52 7.558 -13.946 7.520 1.00 0.01 C ATOM 748 O TYR A 52 7.602 -14.930 8.232 1.00 0.01 O ATOM 749 CB TYR A 52 9.260 -12.104 7.673 1.00 0.00 C ATOM 750 CG TYR A 52 9.878 -12.493 8.990 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.068 -12.699 10.108 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.267 -12.636 9.095 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.642 -13.052 11.330 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.845 -12.987 10.320 1.00 0.00 C ATOM 755 CZ TYR A 52 11.032 -13.197 11.440 1.00 0.01 C ATOM 756 OH TYR A 52 11.598 -13.543 12.651 1.00 0.01 O ATOM 0 H TYR A 52 8.663 -11.963 5.297 1.00 0.00 H new ATOM 0 HA TYR A 52 9.626 -14.095 6.933 1.00 0.01 H new ATOM 0 HB2 TYR A 52 9.975 -11.531 7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.399 -11.459 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.997 -12.585 10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.893 -12.475 8.230 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.014 -13.214 12.193 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.916 -13.096 10.401 1.00 0.00 H new ATOM 0 HH TYR A 52 10.891 -13.685 13.314 1.00 0.01 H new ATOM 766 N LYS A 53 6.421 -13.363 7.235 1.00 0.01 N ATOM 767 CA LYS A 53 5.141 -13.899 7.785 1.00 0.01 C ATOM 768 C LYS A 53 4.808 -15.236 7.118 1.00 0.01 C ATOM 769 O LYS A 53 4.024 -16.012 7.625 1.00 0.01 O ATOM 770 CB LYS A 53 3.996 -12.914 7.523 1.00 0.01 C ATOM 771 CG LYS A 53 4.148 -11.672 8.406 1.00 0.00 C ATOM 772 CD LYS A 53 2.990 -10.713 8.115 1.00 0.00 C ATOM 773 CE LYS A 53 3.078 -9.486 9.028 1.00 0.01 C ATOM 774 NZ LYS A 53 2.563 -9.836 10.382 1.00 0.00 N ATOM 0 H LYS A 53 6.325 -12.537 6.644 1.00 0.01 H new ATOM 0 HA LYS A 53 5.259 -14.040 8.859 1.00 0.01 H new ATOM 0 HB2 LYS A 53 3.991 -12.623 6.473 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.040 -13.396 7.724 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.148 -11.955 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.102 -11.183 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.020 -10.401 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.039 -11.222 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.111 -9.144 9.097 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.498 -8.664 8.608 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.746 -9.049 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.539 -10.011 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.043 -10.692 10.726 1.00 0.00 H new ATOM 788 N LYS A 54 5.379 -15.505 5.974 1.00 0.00 N ATOM 789 CA LYS A 54 5.072 -16.788 5.273 1.00 0.01 C ATOM 790 C LYS A 54 5.976 -17.901 5.797 1.00 0.01 C ATOM 791 O LYS A 54 5.564 -19.038 5.910 1.00 0.01 O ATOM 792 CB LYS A 54 5.313 -16.623 3.774 1.00 0.01 C ATOM 793 CG LYS A 54 4.250 -15.704 3.175 1.00 0.01 C ATOM 794 CD LYS A 54 4.505 -15.548 1.673 1.00 0.00 C ATOM 795 CE LYS A 54 3.446 -14.630 1.054 1.00 0.01 C ATOM 796 NZ LYS A 54 3.992 -14.023 -0.193 1.00 0.01 N ATOM 0 H LYS A 54 6.042 -14.895 5.495 1.00 0.00 H new ATOM 0 HA LYS A 54 4.030 -17.047 5.457 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.306 -16.207 3.600 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.284 -17.596 3.283 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.256 -16.118 3.346 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.278 -14.730 3.663 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.499 -15.134 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.480 -16.524 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.542 -15.196 0.831 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.167 -13.849 1.761 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.643 -13.048 -0.286 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 5.031 -14.016 -0.150 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.683 -14.581 -1.015 1.00 0.01 H new ATOM 810 N ILE A 55 7.200 -17.595 6.118 1.00 0.01 N ATOM 811 CA ILE A 55 8.102 -18.661 6.632 1.00 0.01 C ATOM 812 C ILE A 55 7.595 -19.132 7.994 1.00 0.00 C ATOM 813 O ILE A 55 7.478 -18.363 8.927 1.00 0.01 O ATOM 814 CB ILE A 55 9.528 -18.122 6.759 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.072 -17.820 5.360 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.411 -19.172 7.440 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.400 -17.073 5.477 1.00 0.01 C ATOM 0 H ILE A 55 7.612 -16.664 6.048 1.00 0.01 H new ATOM 0 HA ILE A 55 8.108 -19.501 5.937 1.00 0.01 H new ATOM 0 HB ILE A 55 9.528 -17.211 7.357 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.213 -18.748 4.805 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.354 -17.220 4.801 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.427 -18.789 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.016 -19.392 8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.419 -20.084 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.786 -16.859 4.480 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.245 -16.138 6.015 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.117 -17.689 6.019 1.00 0.01 H new ATOM 829 N LYS A 56 7.288 -20.396 8.107 1.00 0.01 N ATOM 830 CA LYS A 56 6.774 -20.942 9.398 1.00 0.01 C ATOM 831 C LYS A 56 7.911 -21.630 10.154 1.00 0.01 C ATOM 832 O LYS A 56 7.726 -22.143 11.238 1.00 0.01 O ATOM 833 CB LYS A 56 5.671 -21.955 9.092 1.00 0.01 C ATOM 834 CG LYS A 56 4.449 -21.215 8.543 1.00 0.01 C ATOM 835 CD LYS A 56 3.338 -22.217 8.232 1.00 0.00 C ATOM 836 CE LYS A 56 2.097 -21.472 7.730 1.00 0.00 C ATOM 837 NZ LYS A 56 2.406 -20.776 6.447 1.00 0.00 N ATOM 0 H LYS A 56 7.372 -21.080 7.355 1.00 0.01 H new ATOM 0 HA LYS A 56 6.378 -20.135 10.014 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.024 -22.688 8.366 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.404 -22.504 9.995 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.098 -20.482 9.270 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.719 -20.665 7.641 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.677 -22.928 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.093 -22.792 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.275 -22.173 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.770 -20.748 8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.519 -20.536 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.940 -19.905 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.975 -21.401 5.841 1.00 0.00 H new ATOM 851 N SER A 57 9.090 -21.638 9.590 1.00 0.00 N ATOM 852 CA SER A 57 10.253 -22.283 10.271 1.00 0.01 C ATOM 853 C SER A 57 11.046 -21.202 11.033 1.00 0.01 C ATOM 854 O SER A 57 11.658 -20.361 10.406 1.00 0.00 O ATOM 855 CB SER A 57 11.163 -22.903 9.211 1.00 0.01 C ATOM 856 OG SER A 57 10.454 -23.925 8.523 1.00 0.01 O ATOM 0 H SER A 57 9.299 -21.223 8.682 1.00 0.00 H new ATOM 0 HA SER A 57 9.904 -23.050 10.962 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.495 -22.139 8.508 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.057 -23.316 9.679 1.00 0.01 H new ATOM 0 HG SER A 57 11.034 -24.324 7.841 1.00 0.01 H new ATOM 862 N PRO A 58 11.052 -21.186 12.357 1.00 0.00 N ATOM 863 CA PRO A 58 11.808 -20.130 13.087 1.00 0.01 C ATOM 864 C PRO A 58 13.327 -20.284 12.918 1.00 0.00 C ATOM 865 O PRO A 58 14.090 -19.414 13.284 1.00 0.00 O ATOM 866 CB PRO A 58 11.374 -20.349 14.550 1.00 0.01 C ATOM 867 CG PRO A 58 10.613 -21.686 14.637 1.00 0.01 C ATOM 868 CD PRO A 58 10.336 -22.183 13.205 1.00 0.01 C ATOM 0 HA PRO A 58 11.597 -19.126 12.719 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.245 -20.365 15.205 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.739 -19.529 14.884 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.200 -22.422 15.187 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.677 -21.555 15.180 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.716 -23.193 13.048 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.269 -22.206 12.986 1.00 0.01 H new ATOM 876 N SER A 59 13.766 -21.384 12.370 1.00 0.01 N ATOM 877 CA SER A 59 15.229 -21.589 12.182 1.00 0.01 C ATOM 878 C SER A 59 15.680 -20.908 10.888 1.00 0.01 C ATOM 879 O SER A 59 16.836 -20.571 10.726 1.00 0.01 O ATOM 880 CB SER A 59 15.524 -23.087 12.099 1.00 0.01 C ATOM 881 OG SER A 59 14.870 -23.630 10.959 1.00 0.01 O ATOM 0 H SER A 59 13.175 -22.149 12.045 1.00 0.01 H new ATOM 0 HA SER A 59 15.768 -21.156 13.025 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.599 -23.255 12.031 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.180 -23.588 13.004 1.00 0.01 H new ATOM 0 HG SER A 59 15.058 -24.590 10.901 1.00 0.01 H new ATOM 887 N LYS A 60 14.782 -20.706 9.960 1.00 0.00 N ATOM 888 CA LYS A 60 15.169 -20.050 8.673 1.00 0.00 C ATOM 889 C LYS A 60 14.954 -18.535 8.776 1.00 0.01 C ATOM 890 O LYS A 60 15.448 -17.778 7.965 1.00 0.01 O ATOM 891 CB LYS A 60 14.309 -20.618 7.536 1.00 0.01 C ATOM 892 CG LYS A 60 14.563 -22.128 7.385 1.00 0.01 C ATOM 893 CD LYS A 60 15.878 -22.378 6.633 1.00 0.01 C ATOM 894 CE LYS A 60 15.999 -23.867 6.303 1.00 0.01 C ATOM 895 NZ LYS A 60 17.197 -24.087 5.446 1.00 0.01 N ATOM 0 H LYS A 60 13.799 -20.966 10.036 1.00 0.00 H new ATOM 0 HA LYS A 60 16.221 -20.246 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.254 -20.438 7.742 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.543 -20.107 6.602 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.605 -22.596 8.368 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.736 -22.590 6.847 1.00 0.01 H new ATOM 0 HD2 LYS A 60 15.904 -21.788 5.717 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.724 -22.059 7.242 1.00 0.01 H new ATOM 0 HE2 LYS A 60 16.083 -24.449 7.221 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.102 -24.211 5.788 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 17.281 -25.099 5.220 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 17.098 -23.543 4.565 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 18.049 -23.773 5.953 1.00 0.01 H new ATOM 909 N LEU A 61 14.237 -18.084 9.768 1.00 0.01 N ATOM 910 CA LEU A 61 14.017 -16.613 9.914 1.00 0.01 C ATOM 911 C LEU A 61 15.350 -15.921 10.206 1.00 0.01 C ATOM 912 O LEU A 61 15.625 -14.847 9.713 1.00 0.01 O ATOM 913 CB LEU A 61 13.053 -16.341 11.073 1.00 0.01 C ATOM 914 CG LEU A 61 11.689 -16.994 10.809 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.758 -16.708 11.996 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.067 -16.430 9.518 1.00 0.01 C ATOM 0 H LEU A 61 13.795 -18.664 10.481 1.00 0.01 H new ATOM 0 HA LEU A 61 13.593 -16.227 8.987 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.474 -16.728 12.001 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.928 -15.266 11.204 1.00 0.01 H new ATOM 0 HG LEU A 61 11.823 -18.069 10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.787 -17.169 11.816 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.192 -17.121 12.907 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.633 -15.631 12.109 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.100 -16.902 9.343 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.932 -15.353 9.619 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.728 -16.635 8.676 1.00 0.01 H new ATOM 928 N SER A 62 16.171 -16.526 11.022 1.00 0.00 N ATOM 929 CA SER A 62 17.481 -15.907 11.376 1.00 0.01 C ATOM 930 C SER A 62 18.224 -15.424 10.111 1.00 0.01 C ATOM 931 O SER A 62 18.460 -14.242 9.964 1.00 0.01 O ATOM 932 CB SER A 62 18.320 -16.926 12.165 1.00 0.01 C ATOM 933 OG SER A 62 18.178 -16.663 13.556 1.00 0.01 O ATOM 0 H SER A 62 15.989 -17.428 11.461 1.00 0.00 H new ATOM 0 HA SER A 62 17.311 -15.029 11.999 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.992 -17.940 11.938 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.368 -16.857 11.874 1.00 0.01 H new ATOM 0 HG SER A 62 18.709 -17.309 14.067 1.00 0.01 H new ATOM 939 N PRO A 63 18.593 -16.306 9.205 1.00 0.00 N ATOM 940 CA PRO A 63 19.312 -15.884 7.971 1.00 0.00 C ATOM 941 C PRO A 63 18.812 -14.548 7.398 1.00 0.01 C ATOM 942 O PRO A 63 19.547 -13.584 7.332 1.00 0.00 O ATOM 943 CB PRO A 63 19.018 -17.056 7.021 1.00 0.01 C ATOM 944 CG PRO A 63 18.570 -18.260 7.877 1.00 0.01 C ATOM 945 CD PRO A 63 18.343 -17.769 9.323 1.00 0.01 C ATOM 0 HA PRO A 63 20.372 -15.696 8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.239 -16.784 6.309 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.906 -17.309 6.441 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.654 -18.692 7.474 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.328 -19.043 7.857 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.332 -17.982 9.671 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.028 -18.243 10.026 1.00 0.01 H new ATOM 953 N LYS A 64 17.580 -14.484 6.971 1.00 0.01 N ATOM 954 CA LYS A 64 17.073 -13.207 6.394 1.00 0.01 C ATOM 955 C LYS A 64 16.885 -12.158 7.493 1.00 0.00 C ATOM 956 O LYS A 64 16.944 -10.971 7.239 1.00 0.00 O ATOM 957 CB LYS A 64 15.740 -13.441 5.676 1.00 0.00 C ATOM 958 CG LYS A 64 14.735 -14.122 6.617 1.00 0.01 C ATOM 959 CD LYS A 64 13.310 -13.864 6.118 1.00 0.01 C ATOM 960 CE LYS A 64 13.178 -14.335 4.666 1.00 0.01 C ATOM 961 NZ LYS A 64 11.745 -14.307 4.263 1.00 0.00 N ATOM 0 H LYS A 64 16.909 -15.252 6.996 1.00 0.01 H new ATOM 0 HA LYS A 64 17.808 -12.842 5.677 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.335 -12.490 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.899 -14.061 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.928 -15.194 6.658 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.852 -13.738 7.630 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.593 -14.391 6.748 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.076 -12.802 6.189 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.764 -13.692 4.009 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.576 -15.344 4.562 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.547 -15.108 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.145 -14.378 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.541 -13.415 3.768 1.00 0.00 H new ATOM 975 N ALA A 65 16.655 -12.572 8.711 1.00 0.00 N ATOM 976 CA ALA A 65 16.464 -11.567 9.793 1.00 0.01 C ATOM 977 C ALA A 65 17.686 -10.652 9.845 1.00 0.01 C ATOM 978 O ALA A 65 17.570 -9.444 9.785 1.00 0.01 O ATOM 979 CB ALA A 65 16.304 -12.275 11.142 1.00 0.01 C ATOM 0 H ALA A 65 16.592 -13.548 8.999 1.00 0.00 H new ATOM 0 HA ALA A 65 15.568 -10.982 9.588 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.165 -11.533 11.928 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.436 -12.933 11.107 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.197 -12.863 11.352 1.00 0.01 H new ATOM 985 N LYS A 66 18.861 -11.212 9.959 1.00 0.01 N ATOM 986 CA LYS A 66 20.081 -10.365 10.017 1.00 0.00 C ATOM 987 C LYS A 66 20.189 -9.535 8.740 1.00 0.01 C ATOM 988 O LYS A 66 20.405 -8.341 8.782 1.00 0.01 O ATOM 989 CB LYS A 66 21.311 -11.263 10.141 1.00 0.01 C ATOM 990 CG LYS A 66 21.317 -11.923 11.518 1.00 0.01 C ATOM 991 CD LYS A 66 22.581 -12.777 11.673 1.00 0.01 C ATOM 992 CE LYS A 66 22.556 -13.963 10.692 1.00 0.00 C ATOM 993 NZ LYS A 66 23.189 -13.555 9.405 1.00 0.00 N ATOM 0 H LYS A 66 19.025 -12.217 10.014 1.00 0.01 H new ATOM 0 HA LYS A 66 20.021 -9.699 10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.300 -12.024 9.360 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.219 -10.677 10.002 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.282 -11.162 12.297 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.429 -12.544 11.639 1.00 0.01 H new ATOM 0 HD2 LYS A 66 23.465 -12.165 11.490 1.00 0.01 H new ATOM 0 HD3 LYS A 66 22.654 -13.146 12.696 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.089 -14.813 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.529 -14.284 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.485 -13.603 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.545 -12.581 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 23.979 -14.196 9.188 1.00 0.00 H new ATOM 1007 N LYS A 67 20.041 -10.156 7.602 1.00 0.00 N ATOM 1008 CA LYS A 67 20.137 -9.394 6.327 1.00 0.00 C ATOM 1009 C LYS A 67 19.054 -8.315 6.307 1.00 0.01 C ATOM 1010 O LYS A 67 19.316 -7.165 6.018 1.00 0.01 O ATOM 1011 CB LYS A 67 19.931 -10.349 5.151 1.00 0.00 C ATOM 1012 CG LYS A 67 21.137 -11.284 5.030 1.00 0.01 C ATOM 1013 CD LYS A 67 20.928 -12.238 3.851 1.00 0.00 C ATOM 1014 CE LYS A 67 22.151 -13.147 3.703 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.876 -14.187 2.672 1.00 0.01 N ATOM 0 H LYS A 67 19.858 -11.154 7.501 1.00 0.00 H new ATOM 0 HA LYS A 67 21.119 -8.928 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.021 -10.931 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.803 -9.783 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.048 -10.703 4.884 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.265 -11.851 5.952 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.033 -12.839 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.771 -11.670 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.023 -12.558 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.384 -13.619 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.707 -14.804 2.572 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 21.055 -14.756 2.963 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.674 -13.728 1.761 1.00 0.01 H new ATOM 1029 N ILE A 68 17.839 -8.674 6.627 1.00 0.01 N ATOM 1030 CA ILE A 68 16.747 -7.661 6.640 1.00 0.00 C ATOM 1031 C ILE A 68 17.056 -6.622 7.718 1.00 0.01 C ATOM 1032 O ILE A 68 17.039 -5.431 7.474 1.00 0.00 O ATOM 1033 CB ILE A 68 15.417 -8.353 6.960 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.008 -9.233 5.777 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.330 -7.304 7.213 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.833 -10.123 6.186 1.00 0.00 C ATOM 0 H ILE A 68 17.558 -9.622 6.879 1.00 0.01 H new ATOM 0 HA ILE A 68 16.674 -7.175 5.667 1.00 0.00 H new ATOM 0 HB ILE A 68 15.537 -8.967 7.853 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.728 -8.611 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.850 -9.848 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.388 -7.803 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.620 -6.676 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.208 -6.685 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.541 -10.750 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.129 -10.755 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.990 -9.499 6.483 1.00 0.00 H new ATOM 1048 N TYR A 69 17.347 -7.072 8.908 1.00 0.00 N ATOM 1049 CA TYR A 69 17.669 -6.127 10.009 1.00 0.01 C ATOM 1050 C TYR A 69 18.895 -5.299 9.629 1.00 0.00 C ATOM 1051 O TYR A 69 18.902 -4.088 9.726 1.00 0.01 O ATOM 1052 CB TYR A 69 17.971 -6.921 11.280 1.00 0.01 C ATOM 1053 CG TYR A 69 18.369 -5.976 12.391 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.701 -5.562 12.518 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.407 -5.527 13.301 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.069 -4.698 13.556 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.775 -4.661 14.339 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.107 -4.248 14.467 1.00 0.01 C ATOM 1059 OH TYR A 69 19.472 -3.400 15.491 1.00 0.01 O ATOM 0 H TYR A 69 17.375 -8.059 9.164 1.00 0.00 H new ATOM 0 HA TYR A 69 16.821 -5.464 10.180 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.095 -7.497 11.577 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.773 -7.635 11.092 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.444 -5.909 11.815 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.380 -5.848 13.204 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.096 -4.379 13.654 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.032 -4.312 15.040 1.00 0.01 H new ATOM 0 HH TYR A 69 18.670 -2.996 15.883 1.00 0.01 H new ATOM 1069 N ASN A 70 19.936 -5.950 9.198 1.00 0.01 N ATOM 1070 CA ASN A 70 21.170 -5.215 8.819 1.00 0.00 C ATOM 1071 C ASN A 70 20.864 -4.245 7.679 1.00 0.00 C ATOM 1072 O ASN A 70 21.374 -3.148 7.627 1.00 0.01 O ATOM 1073 CB ASN A 70 22.232 -6.209 8.344 1.00 0.00 C ATOM 1074 CG ASN A 70 22.737 -7.030 9.529 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.624 -6.615 10.663 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.291 -8.189 9.309 1.00 0.01 N ATOM 0 H ASN A 70 19.985 -6.963 9.092 1.00 0.01 H new ATOM 0 HA ASN A 70 21.534 -4.664 9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.812 -6.869 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.061 -5.675 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.630 -8.749 10.091 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.385 -8.536 8.355 1.00 0.01 H new ATOM 1083 N GLU A 71 20.063 -4.662 6.745 1.00 0.00 N ATOM 1084 CA GLU A 71 19.750 -3.787 5.585 1.00 0.00 C ATOM 1085 C GLU A 71 18.707 -2.714 5.936 1.00 0.00 C ATOM 1086 O GLU A 71 18.936 -1.535 5.759 1.00 0.00 O ATOM 1087 CB GLU A 71 19.209 -4.664 4.452 1.00 0.00 C ATOM 1088 CG GLU A 71 18.993 -3.821 3.194 1.00 0.00 C ATOM 1089 CD GLU A 71 18.490 -4.718 2.061 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.511 -5.926 2.235 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.092 -4.183 1.040 1.00 0.00 O ATOM 0 H GLU A 71 19.609 -5.575 6.734 1.00 0.00 H new ATOM 0 HA GLU A 71 20.663 -3.272 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.909 -5.473 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.270 -5.126 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.271 -3.029 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.925 -3.337 2.903 1.00 0.00 H new ATOM 1098 N PHE A 72 17.541 -3.114 6.370 1.00 0.00 N ATOM 1099 CA PHE A 72 16.459 -2.118 6.660 1.00 0.00 C ATOM 1100 C PHE A 72 16.526 -1.516 8.074 1.00 0.00 C ATOM 1101 O PHE A 72 16.099 -0.396 8.276 1.00 0.00 O ATOM 1102 CB PHE A 72 15.110 -2.815 6.487 1.00 0.00 C ATOM 1103 CG PHE A 72 14.887 -3.117 5.024 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.331 -4.331 4.484 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.245 -2.180 4.206 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.130 -4.606 3.127 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.043 -2.457 2.849 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.487 -3.670 2.309 1.00 0.00 C ATOM 0 H PHE A 72 17.288 -4.088 6.537 1.00 0.00 H new ATOM 0 HA PHE A 72 16.592 -1.290 5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.087 -3.737 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.309 -2.180 6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.828 -5.054 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.905 -1.243 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.472 -5.542 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.545 -1.735 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.333 -3.883 1.261 1.00 0.00 H new ATOM 1118 N ILE A 73 16.995 -2.237 9.064 1.00 0.00 N ATOM 1119 CA ILE A 73 16.996 -1.667 10.460 1.00 0.00 C ATOM 1120 C ILE A 73 18.359 -1.075 10.850 1.00 0.00 C ATOM 1121 O ILE A 73 18.468 -0.409 11.860 1.00 0.01 O ATOM 1122 CB ILE A 73 16.627 -2.776 11.452 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.235 -3.346 11.102 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.630 -2.222 12.885 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.154 -2.256 11.145 1.00 0.00 C ATOM 0 H ILE A 73 17.372 -3.180 8.975 1.00 0.00 H new ATOM 0 HA ILE A 73 16.266 -0.858 10.488 1.00 0.00 H new ATOM 0 HB ILE A 73 17.364 -3.576 11.386 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.263 -3.793 10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.980 -4.141 11.802 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.367 -3.017 13.583 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.623 -1.842 13.126 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.903 -1.414 12.964 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.187 -2.692 10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.109 -1.827 12.146 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.397 -1.474 10.426 1.00 0.00 H new ATOM 1137 N SER A 74 19.397 -1.289 10.091 1.00 0.01 N ATOM 1138 CA SER A 74 20.711 -0.695 10.492 1.00 0.00 C ATOM 1139 C SER A 74 20.605 0.830 10.501 1.00 0.00 C ATOM 1140 O SER A 74 20.160 1.438 9.548 1.00 0.01 O ATOM 1141 CB SER A 74 21.812 -1.113 9.516 1.00 0.00 C ATOM 1142 OG SER A 74 22.150 -2.469 9.746 1.00 0.01 O ATOM 0 H SER A 74 19.399 -1.835 9.230 1.00 0.01 H new ATOM 0 HA SER A 74 20.963 -1.058 11.489 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.473 -0.980 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.690 -0.480 9.647 1.00 0.00 H new ATOM 0 HG SER A 74 22.494 -2.865 8.918 1.00 0.01 H new ATOM 1148 N VAL A 75 21.031 1.453 11.565 1.00 0.01 N ATOM 1149 CA VAL A 75 20.975 2.938 11.627 1.00 0.01 C ATOM 1150 C VAL A 75 21.835 3.511 10.494 1.00 0.00 C ATOM 1151 O VAL A 75 21.695 4.654 10.107 1.00 0.00 O ATOM 1152 CB VAL A 75 21.500 3.415 12.986 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.432 3.170 14.058 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.769 2.634 13.349 1.00 0.00 C ATOM 0 H VAL A 75 21.415 0.997 12.393 1.00 0.01 H new ATOM 0 HA VAL A 75 19.947 3.281 11.511 1.00 0.01 H new ATOM 0 HB VAL A 75 21.730 4.479 12.932 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.803 3.508 15.025 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.527 3.722 13.803 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.205 2.105 14.109 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.141 2.974 14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.539 1.570 13.403 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.530 2.802 12.587 1.00 0.00 H new ATOM 1164 N GLN A 76 22.720 2.709 9.953 1.00 0.01 N ATOM 1165 CA GLN A 76 23.594 3.178 8.831 1.00 0.01 C ATOM 1166 C GLN A 76 23.006 2.699 7.503 1.00 0.01 C ATOM 1167 O GLN A 76 23.551 2.947 6.445 1.00 0.01 O ATOM 1168 CB GLN A 76 25.002 2.592 8.994 1.00 0.00 C ATOM 1169 CG GLN A 76 25.704 3.248 10.184 1.00 0.01 C ATOM 1170 CD GLN A 76 27.077 2.605 10.389 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.242 1.417 10.191 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.077 3.346 10.782 1.00 0.01 N ATOM 0 H GLN A 76 22.876 1.743 10.242 1.00 0.01 H new ATOM 0 HA GLN A 76 23.648 4.267 8.845 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.942 1.514 9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.581 2.754 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.815 4.318 10.009 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.100 3.133 11.084 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.939 4.343 10.948 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.997 2.928 10.923 1.00 0.01 H new ATOM 1181 N ALA A 77 21.899 2.012 7.551 1.00 0.01 N ATOM 1182 CA ALA A 77 21.274 1.515 6.291 1.00 0.00 C ATOM 1183 C ALA A 77 21.174 2.660 5.285 1.00 0.01 C ATOM 1184 O ALA A 77 20.871 3.783 5.636 1.00 0.00 O ATOM 1185 CB ALA A 77 19.865 0.989 6.584 1.00 0.00 C ATOM 0 H ALA A 77 21.399 1.773 8.407 1.00 0.01 H new ATOM 0 HA ALA A 77 21.888 0.713 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.412 0.627 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.924 0.172 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.255 1.793 6.996 1.00 0.00 H new ATOM 1191 N THR A 78 21.409 2.383 4.033 1.00 0.01 N ATOM 1192 CA THR A 78 21.307 3.458 3.011 1.00 0.01 C ATOM 1193 C THR A 78 19.837 3.844 2.859 1.00 0.01 C ATOM 1194 O THR A 78 19.502 4.999 2.692 1.00 0.00 O ATOM 1195 CB THR A 78 21.838 2.945 1.669 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.003 1.893 1.203 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.265 2.428 1.846 1.00 0.01 C ATOM 0 H THR A 78 21.666 1.463 3.676 1.00 0.01 H new ATOM 0 HA THR A 78 21.894 4.322 3.320 1.00 0.01 H new ATOM 0 HB THR A 78 21.838 3.758 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.340 1.564 0.343 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.641 2.063 0.890 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.903 3.236 2.203 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.270 1.615 2.572 1.00 0.01 H new ATOM 1205 N LYS A 79 18.957 2.873 2.924 1.00 0.00 N ATOM 1206 CA LYS A 79 17.492 3.147 2.793 1.00 0.00 C ATOM 1207 C LYS A 79 16.804 2.933 4.146 1.00 0.00 C ATOM 1208 O LYS A 79 16.040 2.008 4.332 1.00 0.00 O ATOM 1209 CB LYS A 79 16.893 2.208 1.739 1.00 0.00 C ATOM 1210 CG LYS A 79 17.341 0.761 1.983 1.00 0.00 C ATOM 1211 CD LYS A 79 16.800 -0.126 0.858 1.00 0.01 C ATOM 1212 CE LYS A 79 17.033 -1.599 1.201 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.556 -2.449 0.072 1.00 0.00 N ATOM 0 H LYS A 79 19.195 1.891 3.064 1.00 0.00 H new ATOM 0 HA LYS A 79 17.338 4.180 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.805 2.267 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.202 2.527 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.429 0.705 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.974 0.411 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.735 0.060 0.716 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.294 0.121 -0.082 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.092 -1.779 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.503 -1.859 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.026 -3.376 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.527 -2.580 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.782 -1.985 -0.831 1.00 0.00 H new ATOM 1227 N GLU A 80 17.071 3.791 5.091 1.00 0.00 N ATOM 1228 CA GLU A 80 16.440 3.647 6.436 1.00 0.00 C ATOM 1229 C GLU A 80 14.919 3.717 6.296 1.00 0.00 C ATOM 1230 O GLU A 80 14.395 4.475 5.505 1.00 0.00 O ATOM 1231 CB GLU A 80 16.911 4.792 7.339 1.00 0.00 C ATOM 1232 CG GLU A 80 18.392 4.608 7.671 1.00 0.00 C ATOM 1233 CD GLU A 80 18.859 5.756 8.566 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.018 6.532 8.989 1.00 0.01 O ATOM 1235 OE2 GLU A 80 20.050 5.840 8.814 1.00 0.00 O ATOM 0 H GLU A 80 17.700 4.588 4.991 1.00 0.00 H new ATOM 0 HA GLU A 80 16.725 2.689 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.756 5.749 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.322 4.811 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.547 3.654 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.981 4.584 6.754 1.00 0.00 H new ATOM 1242 N VAL A 81 14.203 2.928 7.062 1.00 0.00 N ATOM 1243 CA VAL A 81 12.707 2.946 6.980 1.00 0.00 C ATOM 1244 C VAL A 81 12.157 3.769 8.146 1.00 0.00 C ATOM 1245 O VAL A 81 12.744 3.832 9.206 1.00 0.00 O ATOM 1246 CB VAL A 81 12.176 1.511 7.068 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.341 0.820 5.713 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.968 0.741 8.126 1.00 0.00 C ATOM 0 H VAL A 81 14.590 2.272 7.741 1.00 0.00 H new ATOM 0 HA VAL A 81 12.391 3.389 6.036 1.00 0.00 H new ATOM 0 HB VAL A 81 11.121 1.531 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.963 -0.200 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.781 1.368 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.396 0.800 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.592 -0.280 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.022 0.723 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.855 1.231 9.093 1.00 0.00 H new ATOM 1258 N ASN A 82 11.036 4.411 7.951 1.00 0.00 N ATOM 1259 CA ASN A 82 10.454 5.238 9.042 1.00 0.00 C ATOM 1260 C ASN A 82 9.847 4.329 10.114 1.00 0.00 C ATOM 1261 O ASN A 82 8.800 3.740 9.928 1.00 0.00 O ATOM 1262 CB ASN A 82 9.369 6.146 8.455 1.00 0.00 C ATOM 1263 CG ASN A 82 8.511 5.343 7.473 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.557 4.130 7.461 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.732 5.976 6.639 1.00 0.00 N ATOM 0 H ASN A 82 10.500 4.397 7.083 1.00 0.00 H new ATOM 0 HA ASN A 82 11.235 5.847 9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.746 6.550 9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.826 6.995 7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.161 5.452 5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.694 6.995 6.650 1.00 0.00 H new ATOM 1272 N LEU A 83 10.502 4.220 11.240 1.00 0.00 N ATOM 1273 CA LEU A 83 9.987 3.359 12.350 1.00 0.00 C ATOM 1274 C LEU A 83 10.320 4.024 13.683 1.00 0.00 C ATOM 1275 O LEU A 83 11.202 4.855 13.769 1.00 0.00 O ATOM 1276 CB LEU A 83 10.668 1.984 12.307 1.00 0.01 C ATOM 1277 CG LEU A 83 10.178 1.167 11.100 1.00 0.00 C ATOM 1278 CD1 LEU A 83 11.056 -0.082 10.951 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.712 0.731 11.306 1.00 0.00 C ATOM 0 H LEU A 83 11.382 4.695 11.442 1.00 0.00 H new ATOM 0 HA LEU A 83 8.910 3.235 12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.749 2.111 12.251 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.458 1.441 13.228 1.00 0.01 H new ATOM 0 HG LEU A 83 10.242 1.784 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.715 -0.667 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.092 0.218 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.986 -0.686 11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.379 0.154 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.638 0.117 12.204 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.082 1.614 11.417 1.00 0.00 H new ATOM 1291 N ASP A 84 9.631 3.660 14.729 1.00 0.01 N ATOM 1292 CA ASP A 84 9.926 4.271 16.052 1.00 0.00 C ATOM 1293 C ASP A 84 11.249 3.709 16.573 1.00 0.00 C ATOM 1294 O ASP A 84 11.701 2.664 16.147 1.00 0.00 O ATOM 1295 CB ASP A 84 8.803 3.942 17.037 1.00 0.00 C ATOM 1296 CG ASP A 84 8.511 2.443 16.997 1.00 0.01 C ATOM 1297 OD1 ASP A 84 8.390 1.912 15.906 1.00 0.00 O ATOM 1298 OD2 ASP A 84 8.407 1.851 18.059 1.00 0.01 O ATOM 0 H ASP A 84 8.880 2.969 14.724 1.00 0.01 H new ATOM 0 HA ASP A 84 9.999 5.354 15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.091 4.240 18.045 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.905 4.505 16.782 1.00 0.00 H new ATOM 1303 N SER A 85 11.876 4.395 17.486 1.00 0.00 N ATOM 1304 CA SER A 85 13.171 3.906 18.030 1.00 0.01 C ATOM 1305 C SER A 85 12.933 2.662 18.887 1.00 0.01 C ATOM 1306 O SER A 85 13.839 1.902 19.159 1.00 0.00 O ATOM 1307 CB SER A 85 13.810 4.997 18.889 1.00 0.01 C ATOM 1308 OG SER A 85 15.018 4.500 19.453 1.00 0.00 O ATOM 0 H SER A 85 11.546 5.276 17.880 1.00 0.00 H new ATOM 0 HA SER A 85 13.836 3.656 17.203 1.00 0.01 H new ATOM 0 HB2 SER A 85 14.013 5.881 18.284 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.124 5.303 19.679 1.00 0.01 H new ATOM 0 HG SER A 85 15.433 5.196 20.004 1.00 0.00 H new ATOM 1314 N CYS A 86 11.724 2.458 19.331 1.00 0.01 N ATOM 1315 CA CYS A 86 11.434 1.275 20.188 1.00 0.01 C ATOM 1316 C CYS A 86 11.249 0.024 19.329 1.00 0.00 C ATOM 1317 O CYS A 86 11.792 -1.023 19.619 1.00 0.01 O ATOM 1318 CB CYS A 86 10.153 1.533 20.985 1.00 0.01 C ATOM 1319 SG CYS A 86 9.721 0.052 21.931 1.00 0.01 S ATOM 0 H CYS A 86 10.924 3.060 19.137 1.00 0.01 H new ATOM 0 HA CYS A 86 12.273 1.116 20.866 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.295 2.379 21.658 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.339 1.796 20.310 1.00 0.01 H new ATOM 0 HG CYS A 86 8.634 0.272 22.609 1.00 0.01 H new ATOM 1325 N THR A 87 10.481 0.113 18.280 1.00 0.00 N ATOM 1326 CA THR A 87 10.268 -1.089 17.424 1.00 0.00 C ATOM 1327 C THR A 87 11.611 -1.562 16.871 1.00 0.00 C ATOM 1328 O THR A 87 11.886 -2.744 16.819 1.00 0.01 O ATOM 1329 CB THR A 87 9.330 -0.739 16.270 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.089 -0.297 16.800 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.098 -1.983 15.406 1.00 0.00 C ATOM 0 H THR A 87 9.995 0.958 17.979 1.00 0.00 H new ATOM 0 HA THR A 87 9.821 -1.885 18.020 1.00 0.00 H new ATOM 0 HB THR A 87 9.774 0.048 15.661 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.726 0.415 16.233 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.429 -1.734 14.582 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.051 -2.332 15.007 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.649 -2.769 16.013 1.00 0.00 H new ATOM 1339 N ARG A 88 12.460 -0.654 16.469 1.00 0.01 N ATOM 1340 CA ARG A 88 13.784 -1.076 15.938 1.00 0.00 C ATOM 1341 C ARG A 88 14.531 -1.840 17.028 1.00 0.00 C ATOM 1342 O ARG A 88 15.022 -2.931 16.813 1.00 0.01 O ATOM 1343 CB ARG A 88 14.599 0.156 15.544 1.00 0.00 C ATOM 1344 CG ARG A 88 13.986 0.807 14.305 1.00 0.00 C ATOM 1345 CD ARG A 88 14.813 2.031 13.915 1.00 0.00 C ATOM 1346 NE ARG A 88 14.216 2.666 12.707 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.600 3.857 12.337 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.517 4.487 13.018 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.070 4.415 11.283 1.00 0.01 N ATOM 0 H ARG A 88 12.294 0.352 16.486 1.00 0.01 H new ATOM 0 HA ARG A 88 13.641 -1.710 15.063 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.619 0.869 16.368 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.632 -0.129 15.343 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.960 0.094 13.481 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.955 1.099 14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.839 2.744 14.739 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.844 1.738 13.714 1.00 0.00 H new ATOM 0 HE ARG A 88 13.506 2.169 12.168 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.934 4.049 13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.817 5.418 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.356 3.920 10.749 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.370 5.346 10.994 1.00 0.01 H new ATOM 1363 N GLU A 89 14.604 -1.283 18.205 1.00 0.01 N ATOM 1364 CA GLU A 89 15.301 -1.984 19.314 1.00 0.01 C ATOM 1365 C GLU A 89 14.602 -3.312 19.571 1.00 0.01 C ATOM 1366 O GLU A 89 15.230 -4.325 19.807 1.00 0.00 O ATOM 1367 CB GLU A 89 15.247 -1.123 20.577 1.00 0.01 C ATOM 1368 CG GLU A 89 16.142 0.106 20.399 1.00 0.01 C ATOM 1369 CD GLU A 89 16.082 0.967 21.662 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.235 0.699 22.498 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.877 1.887 21.767 1.00 0.01 O ATOM 0 H GLU A 89 14.211 -0.373 18.445 1.00 0.01 H new ATOM 0 HA GLU A 89 16.343 -2.160 19.046 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.221 -0.813 20.774 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.576 -1.703 21.439 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.169 -0.204 20.205 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.815 0.685 19.535 1.00 0.01 H new ATOM 1378 N GLU A 90 13.299 -3.319 19.523 1.00 0.00 N ATOM 1379 CA GLU A 90 12.565 -4.586 19.761 1.00 0.01 C ATOM 1380 C GLU A 90 12.992 -5.611 18.713 1.00 0.01 C ATOM 1381 O GLU A 90 13.170 -6.776 19.009 1.00 0.01 O ATOM 1382 CB GLU A 90 11.059 -4.348 19.661 1.00 0.01 C ATOM 1383 CG GLU A 90 10.326 -5.633 20.047 1.00 0.00 C ATOM 1384 CD GLU A 90 8.832 -5.344 20.193 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.459 -4.189 20.080 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.085 -6.283 20.414 1.00 0.00 O ATOM 0 H GLU A 90 12.716 -2.505 19.330 1.00 0.00 H new ATOM 0 HA GLU A 90 12.796 -4.957 20.760 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.762 -3.532 20.320 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.791 -4.052 18.647 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.487 -6.398 19.287 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.725 -6.024 20.983 1.00 0.00 H new ATOM 1393 N THR A 91 13.165 -5.187 17.489 1.00 0.01 N ATOM 1394 CA THR A 91 13.587 -6.149 16.435 1.00 0.01 C ATOM 1395 C THR A 91 14.966 -6.698 16.792 1.00 0.01 C ATOM 1396 O THR A 91 15.234 -7.866 16.619 1.00 0.01 O ATOM 1397 CB THR A 91 13.660 -5.439 15.080 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.453 -4.727 14.851 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.853 -6.479 13.974 1.00 0.01 C ATOM 0 H THR A 91 13.033 -4.225 17.177 1.00 0.01 H new ATOM 0 HA THR A 91 12.864 -6.962 16.373 1.00 0.01 H new ATOM 0 HB THR A 91 14.498 -4.742 15.079 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.401 -3.966 15.466 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.905 -5.977 13.008 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.778 -7.028 14.148 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.013 -7.174 13.977 1.00 0.01 H new ATOM 1407 N SER A 92 15.842 -5.859 17.289 1.00 0.01 N ATOM 1408 CA SER A 92 17.212 -6.325 17.656 1.00 0.01 C ATOM 1409 C SER A 92 17.128 -7.419 18.731 1.00 0.01 C ATOM 1410 O SER A 92 17.858 -8.390 18.700 1.00 0.00 O ATOM 1411 CB SER A 92 18.027 -5.148 18.193 1.00 0.01 C ATOM 1412 OG SER A 92 17.521 -4.762 19.464 1.00 0.01 O ATOM 0 H SER A 92 15.665 -4.869 17.456 1.00 0.01 H new ATOM 0 HA SER A 92 17.696 -6.732 16.769 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.077 -5.427 18.277 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.975 -4.309 17.499 1.00 0.01 H new ATOM 0 HG SER A 92 16.542 -4.812 19.455 1.00 0.01 H new ATOM 1418 N ARG A 93 16.245 -7.273 19.684 1.00 0.01 N ATOM 1419 CA ARG A 93 16.120 -8.311 20.750 1.00 0.01 C ATOM 1420 C ARG A 93 15.563 -9.605 20.152 1.00 0.01 C ATOM 1421 O ARG A 93 15.921 -10.693 20.555 1.00 0.01 O ATOM 1422 CB ARG A 93 15.183 -7.816 21.855 1.00 0.00 C ATOM 1423 CG ARG A 93 15.849 -6.684 22.639 1.00 0.01 C ATOM 1424 CD ARG A 93 14.895 -6.206 23.735 1.00 0.01 C ATOM 1425 NE ARG A 93 13.670 -5.644 23.111 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.578 -5.505 23.813 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.540 -5.917 25.049 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.520 -4.968 23.272 1.00 0.01 N ATOM 0 H ARG A 93 15.607 -6.482 19.770 1.00 0.01 H new ATOM 0 HA ARG A 93 17.106 -8.502 21.173 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.247 -7.466 21.420 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.934 -8.637 22.527 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.784 -7.031 23.079 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.098 -5.859 21.971 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.634 -7.035 24.393 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.382 -5.451 24.352 1.00 0.01 H new ATOM 0 HE ARG A 93 13.682 -5.365 22.130 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.364 -6.348 25.468 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.687 -5.808 25.597 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.546 -4.657 22.301 1.00 0.01 H new ATOM 0 HH22 ARG A 93 10.667 -4.859 23.820 1.00 0.01 H new ATOM 1442 N ASN A 94 14.676 -9.491 19.206 1.00 0.01 N ATOM 1443 CA ASN A 94 14.080 -10.710 18.588 1.00 0.01 C ATOM 1444 C ASN A 94 15.158 -11.509 17.850 1.00 0.01 C ATOM 1445 O ASN A 94 15.003 -12.688 17.600 1.00 0.01 O ATOM 1446 CB ASN A 94 12.982 -10.291 17.609 1.00 0.01 C ATOM 1447 CG ASN A 94 11.789 -9.744 18.397 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.604 -10.079 19.550 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.965 -8.913 17.820 1.00 0.01 N ATOM 0 H ASN A 94 14.336 -8.605 18.832 1.00 0.01 H new ATOM 0 HA ASN A 94 13.654 -11.339 19.369 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.359 -9.532 16.923 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.673 -11.143 17.003 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.166 -8.545 18.337 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.120 -8.631 16.852 1.00 0.01 H new ATOM 1456 N MET A 95 16.250 -10.885 17.505 1.00 0.01 N ATOM 1457 CA MET A 95 17.334 -11.621 16.791 1.00 0.01 C ATOM 1458 C MET A 95 17.812 -12.770 17.678 1.00 0.01 C ATOM 1459 O MET A 95 18.123 -13.844 17.207 1.00 0.01 O ATOM 1460 CB MET A 95 18.495 -10.669 16.502 1.00 0.01 C ATOM 1461 CG MET A 95 17.940 -9.403 15.851 1.00 0.01 C ATOM 1462 SD MET A 95 17.074 -9.821 14.318 1.00 0.01 S ATOM 1463 CE MET A 95 18.426 -9.460 13.177 1.00 0.01 C ATOM 0 H MET A 95 16.440 -9.899 17.686 1.00 0.01 H new ATOM 0 HA MET A 95 16.959 -12.016 15.847 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.019 -10.421 17.425 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.220 -11.146 15.843 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.259 -8.900 16.537 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.752 -8.707 15.641 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.043 -9.428 12.157 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.867 -8.496 13.429 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.186 -10.238 13.255 1.00 0.01 H new ATOM 1473 N LEU A 96 17.856 -12.551 18.965 1.00 0.01 N ATOM 1474 CA LEU A 96 18.288 -13.631 19.896 1.00 0.01 C ATOM 1475 C LEU A 96 17.277 -14.775 19.803 1.00 0.01 C ATOM 1476 O LEU A 96 17.611 -15.937 19.924 1.00 0.01 O ATOM 1477 CB LEU A 96 18.314 -13.089 21.330 1.00 0.01 C ATOM 1478 CG LEU A 96 19.310 -11.927 21.438 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.166 -11.263 22.810 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.752 -12.440 21.262 1.00 0.01 C ATOM 0 H LEU A 96 17.610 -11.668 19.412 1.00 0.01 H new ATOM 0 HA LEU A 96 19.284 -13.984 19.630 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.318 -12.752 21.618 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.594 -13.883 22.022 1.00 0.01 H new ATOM 0 HG LEU A 96 19.097 -11.202 20.652 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.872 -10.437 22.890 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.150 -10.885 22.926 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.373 -11.994 23.592 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.448 -11.605 21.341 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.975 -13.172 22.038 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.855 -12.907 20.282 1.00 0.01 H new ATOM 1492 N GLU A 97 16.035 -14.435 19.581 1.00 0.01 N ATOM 1493 CA GLU A 97 14.958 -15.463 19.463 1.00 0.01 C ATOM 1494 C GLU A 97 13.974 -14.993 18.386 1.00 0.01 C ATOM 1495 O GLU A 97 12.938 -14.438 18.696 1.00 0.01 O ATOM 1496 CB GLU A 97 14.219 -15.583 20.797 1.00 0.01 C ATOM 1497 CG GLU A 97 13.246 -16.760 20.735 1.00 0.01 C ATOM 1498 CD GLU A 97 12.349 -16.749 21.974 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.888 -16.711 23.069 1.00 0.01 O ATOM 1500 OE2 GLU A 97 11.142 -16.777 21.808 1.00 0.01 O ATOM 0 H GLU A 97 15.716 -13.472 19.475 1.00 0.01 H new ATOM 0 HA GLU A 97 15.385 -16.431 19.201 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.932 -15.729 21.608 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.678 -14.661 21.010 1.00 0.01 H new ATOM 0 HG2 GLU A 97 12.638 -16.695 19.833 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.798 -17.699 20.681 1.00 0.01 H new ATOM 1507 N PRO A 98 14.296 -15.185 17.126 1.00 0.01 N ATOM 1508 CA PRO A 98 13.401 -14.729 16.030 1.00 0.01 C ATOM 1509 C PRO A 98 12.044 -15.443 16.051 1.00 0.01 C ATOM 1510 O PRO A 98 11.957 -16.644 15.882 1.00 0.01 O ATOM 1511 CB PRO A 98 14.213 -15.069 14.759 1.00 0.00 C ATOM 1512 CG PRO A 98 15.589 -15.612 15.194 1.00 0.01 C ATOM 1513 CD PRO A 98 15.552 -15.866 16.710 1.00 0.01 C ATOM 0 HA PRO A 98 13.143 -13.673 16.106 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.685 -15.810 14.158 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.334 -14.182 14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.819 -16.534 14.660 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.374 -14.897 14.948 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.531 -16.931 16.942 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.425 -15.448 17.212 1.00 0.01 H new ATOM 1521 N THR A 99 10.989 -14.698 16.252 1.00 0.01 N ATOM 1522 CA THR A 99 9.617 -15.291 16.283 1.00 0.01 C ATOM 1523 C THR A 99 8.852 -14.801 15.059 1.00 0.01 C ATOM 1524 O THR A 99 9.310 -13.937 14.345 1.00 0.01 O ATOM 1525 CB THR A 99 8.894 -14.830 17.552 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.837 -13.410 17.569 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.643 -15.332 18.788 1.00 0.00 C ATOM 0 H THR A 99 11.019 -13.689 16.398 1.00 0.01 H new ATOM 0 HA THR A 99 9.677 -16.379 16.278 1.00 0.01 H new ATOM 0 HB THR A 99 7.883 -15.236 17.562 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.904 -13.121 17.650 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.124 -15.001 19.687 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.683 -16.421 18.772 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.657 -14.932 18.786 1.00 0.00 H new ATOM 1535 N ILE A 100 7.692 -15.341 14.811 1.00 0.00 N ATOM 1536 CA ILE A 100 6.905 -14.900 13.627 1.00 0.01 C ATOM 1537 C ILE A 100 6.401 -13.474 13.859 1.00 0.01 C ATOM 1538 O ILE A 100 6.062 -12.765 12.934 1.00 0.01 O ATOM 1539 CB ILE A 100 5.718 -15.852 13.426 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.038 -15.563 12.078 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.704 -15.659 14.555 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.960 -15.943 10.908 1.00 0.01 C ATOM 0 H ILE A 100 7.255 -16.068 15.377 1.00 0.00 H new ATOM 0 HA ILE A 100 7.532 -14.917 12.736 1.00 0.01 H new ATOM 0 HB ILE A 100 6.083 -16.879 13.435 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.106 -16.123 12.009 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.780 -14.506 12.015 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.863 -16.337 14.408 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.180 -15.873 15.512 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.346 -14.630 14.550 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.457 -15.730 9.965 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.881 -15.363 10.968 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.196 -17.006 10.961 1.00 0.01 H new ATOM 1554 N THR A 101 6.362 -13.047 15.093 1.00 0.00 N ATOM 1555 CA THR A 101 5.887 -11.663 15.394 1.00 0.01 C ATOM 1556 C THR A 101 7.089 -10.714 15.438 1.00 0.01 C ATOM 1557 O THR A 101 6.982 -9.576 15.848 1.00 0.01 O ATOM 1558 CB THR A 101 5.179 -11.652 16.751 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.106 -12.006 17.769 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.026 -12.659 16.733 1.00 0.01 C ATOM 0 H THR A 101 6.638 -13.596 15.907 1.00 0.00 H new ATOM 0 HA THR A 101 5.193 -11.338 14.619 1.00 0.01 H new ATOM 0 HB THR A 101 4.785 -10.655 16.950 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.655 -11.998 18.639 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.521 -12.652 17.699 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.317 -12.386 15.951 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.418 -13.657 16.536 1.00 0.01 H new ATOM 1568 N CYS A 102 8.233 -11.185 15.025 1.00 0.00 N ATOM 1569 CA CYS A 102 9.455 -10.329 15.045 1.00 0.00 C ATOM 1570 C CYS A 102 9.270 -9.092 14.159 1.00 0.01 C ATOM 1571 O CYS A 102 9.301 -7.973 14.632 1.00 0.01 O ATOM 1572 CB CYS A 102 10.646 -11.137 14.528 1.00 0.00 C ATOM 1573 SG CYS A 102 12.105 -10.070 14.448 1.00 0.01 S ATOM 0 H CYS A 102 8.376 -12.131 14.672 1.00 0.00 H new ATOM 0 HA CYS A 102 9.632 -10.004 16.070 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.837 -11.985 15.186 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.424 -11.543 13.541 1.00 0.00 H new ATOM 0 HG CYS A 102 12.413 -9.849 13.205 1.00 0.01 H new ATOM 1579 N PHE A 103 9.105 -9.277 12.873 1.00 0.00 N ATOM 1580 CA PHE A 103 8.952 -8.101 11.957 1.00 0.01 C ATOM 1581 C PHE A 103 7.479 -7.728 11.783 1.00 0.01 C ATOM 1582 O PHE A 103 7.159 -6.741 11.149 1.00 0.00 O ATOM 1583 CB PHE A 103 9.543 -8.441 10.586 1.00 0.00 C ATOM 1584 CG PHE A 103 11.046 -8.522 10.690 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.818 -7.374 10.486 1.00 0.00 C ATOM 1586 CD2 PHE A 103 11.667 -9.739 10.989 1.00 0.01 C ATOM 1587 CE1 PHE A 103 13.212 -7.443 10.580 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.062 -9.809 11.083 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.835 -8.659 10.879 1.00 0.00 C ATOM 0 H PHE A 103 9.069 -10.189 12.417 1.00 0.00 H new ATOM 0 HA PHE A 103 9.479 -7.255 12.398 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.141 -9.390 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.259 -7.682 9.858 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.338 -6.434 10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.070 -10.625 11.147 1.00 0.01 H new ATOM 0 HE1 PHE A 103 13.808 -6.556 10.422 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.542 -10.749 11.313 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.911 -8.711 10.953 1.00 0.00 H new ATOM 1599 N ASP A 104 6.576 -8.487 12.333 1.00 0.01 N ATOM 1600 CA ASP A 104 5.136 -8.132 12.181 1.00 0.01 C ATOM 1601 C ASP A 104 4.915 -6.745 12.785 1.00 0.00 C ATOM 1602 O ASP A 104 4.191 -5.927 12.253 1.00 0.01 O ATOM 1603 CB ASP A 104 4.264 -9.157 12.905 1.00 0.01 C ATOM 1604 CG ASP A 104 4.375 -10.510 12.197 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.958 -10.550 11.126 1.00 0.00 O ATOM 1606 OD2 ASP A 104 3.880 -11.487 12.739 1.00 0.01 O ATOM 0 H ASP A 104 6.767 -9.329 12.876 1.00 0.01 H new ATOM 0 HA ASP A 104 4.863 -8.130 11.126 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.580 -9.251 13.944 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.226 -8.824 12.917 1.00 0.01 H new ATOM 1611 N GLU A 105 5.546 -6.479 13.896 1.00 0.00 N ATOM 1612 CA GLU A 105 5.399 -5.151 14.556 1.00 0.00 C ATOM 1613 C GLU A 105 5.872 -4.050 13.610 1.00 0.00 C ATOM 1614 O GLU A 105 5.280 -2.991 13.533 1.00 0.01 O ATOM 1615 CB GLU A 105 6.252 -5.126 15.821 1.00 0.00 C ATOM 1616 CG GLU A 105 5.633 -6.046 16.870 1.00 0.00 C ATOM 1617 CD GLU A 105 6.625 -6.251 18.011 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.743 -5.784 17.884 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.256 -6.885 18.986 1.00 0.00 O ATOM 0 H GLU A 105 6.163 -7.132 14.379 1.00 0.00 H new ATOM 0 HA GLU A 105 4.352 -4.985 14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.268 -5.448 15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.319 -4.109 16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.708 -5.612 17.251 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.374 -7.005 16.422 1.00 0.00 H new ATOM 1626 N ALA A 106 6.937 -4.278 12.893 1.00 0.00 N ATOM 1627 CA ALA A 106 7.433 -3.226 11.967 1.00 0.00 C ATOM 1628 C ALA A 106 6.399 -3.007 10.865 1.00 0.00 C ATOM 1629 O ALA A 106 6.056 -1.889 10.543 1.00 0.00 O ATOM 1630 CB ALA A 106 8.755 -3.672 11.343 1.00 0.00 C ATOM 0 H ALA A 106 7.481 -5.141 12.908 1.00 0.00 H new ATOM 0 HA ALA A 106 7.591 -2.298 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.116 -2.899 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.491 -3.837 12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.602 -4.598 10.789 1.00 0.00 H new ATOM 1636 N GLN A 107 5.882 -4.060 10.296 1.00 0.00 N ATOM 1637 CA GLN A 107 4.857 -3.889 9.229 1.00 0.00 C ATOM 1638 C GLN A 107 3.657 -3.137 9.803 1.00 0.00 C ATOM 1639 O GLN A 107 3.121 -2.237 9.187 1.00 0.00 O ATOM 1640 CB GLN A 107 4.406 -5.260 8.727 1.00 0.00 C ATOM 1641 CG GLN A 107 3.354 -5.083 7.632 1.00 0.00 C ATOM 1642 CD GLN A 107 3.069 -6.433 6.977 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.785 -7.388 7.196 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.042 -6.555 6.183 1.00 0.00 N ATOM 0 H GLN A 107 6.123 -5.025 10.521 1.00 0.00 H new ATOM 0 HA GLN A 107 5.283 -3.324 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.260 -5.816 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.994 -5.843 9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.438 -4.672 8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.707 -4.372 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.441 -5.752 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.840 -7.454 5.745 1.00 0.00 H new ATOM 1653 N LYS A 108 3.233 -3.497 10.982 1.00 0.00 N ATOM 1654 CA LYS A 108 2.072 -2.803 11.601 1.00 0.00 C ATOM 1655 C LYS A 108 2.411 -1.321 11.756 1.00 0.00 C ATOM 1656 O LYS A 108 1.601 -0.458 11.488 1.00 0.00 O ATOM 1657 CB LYS A 108 1.785 -3.423 12.971 1.00 0.00 C ATOM 1658 CG LYS A 108 0.590 -2.721 13.619 1.00 0.00 C ATOM 1659 CD LYS A 108 0.271 -3.393 14.957 1.00 0.01 C ATOM 1660 CE LYS A 108 -0.924 -2.697 15.610 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.454 -3.551 16.711 1.00 0.00 N ATOM 0 H LYS A 108 3.642 -4.244 11.544 1.00 0.00 H new ATOM 0 HA LYS A 108 1.188 -2.910 10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.578 -4.488 12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.662 -3.333 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.814 -1.666 13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.276 -2.770 12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.049 -4.449 14.801 1.00 0.01 H new ATOM 0 HD3 LYS A 108 1.138 -3.343 15.616 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -0.623 -1.725 16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.702 -2.515 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.267 -3.079 17.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.755 -4.468 16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.710 -3.703 17.422 1.00 0.00 H new ATOM 1675 N LYS A 109 3.612 -1.018 12.175 1.00 0.01 N ATOM 1676 CA LYS A 109 3.999 0.412 12.326 1.00 0.00 C ATOM 1677 C LYS A 109 4.018 1.064 10.944 1.00 0.00 C ATOM 1678 O LYS A 109 3.575 2.184 10.775 1.00 0.00 O ATOM 1679 CB LYS A 109 5.382 0.515 12.980 1.00 0.00 C ATOM 1680 CG LYS A 109 5.306 0.084 14.455 1.00 0.00 C ATOM 1681 CD LYS A 109 4.757 1.224 15.326 1.00 0.01 C ATOM 1682 CE LYS A 109 4.899 0.848 16.804 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.051 -0.343 17.095 1.00 0.01 N ATOM 0 H LYS A 109 4.336 -1.695 12.417 1.00 0.01 H new ATOM 0 HA LYS A 109 3.279 0.925 12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.093 -0.115 12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.749 1.539 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.666 -0.793 14.550 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.297 -0.204 14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.299 2.147 15.120 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.710 1.409 15.085 1.00 0.01 H new ATOM 0 HE2 LYS A 109 5.942 0.632 17.037 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.598 1.685 17.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.969 -0.468 18.124 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.105 -0.203 16.687 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 4.487 -1.190 16.677 1.00 0.01 H new ATOM 1697 N ILE A 110 4.502 0.371 9.945 1.00 0.00 N ATOM 1698 CA ILE A 110 4.510 0.967 8.579 1.00 0.00 C ATOM 1699 C ILE A 110 3.061 1.129 8.121 1.00 0.00 C ATOM 1700 O ILE A 110 2.672 2.168 7.633 1.00 0.00 O ATOM 1701 CB ILE A 110 5.253 0.040 7.604 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.755 -0.015 7.947 1.00 0.00 C ATOM 1703 CG2 ILE A 110 5.065 0.537 6.167 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.397 1.383 7.890 1.00 0.00 C ATOM 0 H ILE A 110 4.887 -0.571 10.016 1.00 0.00 H new ATOM 0 HA ILE A 110 5.016 1.932 8.598 1.00 0.00 H new ATOM 0 HB ILE A 110 4.839 -0.964 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.887 -0.437 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.265 -0.680 7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.594 -0.124 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.003 0.542 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.463 1.547 6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.456 1.307 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.287 1.793 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.903 2.040 8.606 1.00 0.00 H new ATOM 1716 N PHE A 111 2.255 0.113 8.291 1.00 0.00 N ATOM 1717 CA PHE A 111 0.826 0.216 7.882 1.00 0.00 C ATOM 1718 C PHE A 111 0.168 1.357 8.668 1.00 0.00 C ATOM 1719 O PHE A 111 -0.526 2.182 8.117 1.00 0.00 O ATOM 1720 CB PHE A 111 0.102 -1.125 8.191 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.046 -1.949 6.927 1.00 0.00 C ATOM 1722 CD1 PHE A 111 1.021 -2.050 6.032 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.257 -2.599 6.648 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.881 -2.792 4.855 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.397 -3.346 5.472 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.331 -3.442 4.576 1.00 0.00 C ATOM 0 H PHE A 111 2.526 -0.783 8.696 1.00 0.00 H new ATOM 0 HA PHE A 111 0.756 0.419 6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.666 -1.687 8.935 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.880 -0.925 8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.956 -1.554 6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.082 -2.523 7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.705 -2.865 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.329 -3.848 5.258 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.439 -4.017 3.668 1.00 0.00 H new ATOM 1736 N ASN A 112 0.375 1.400 9.949 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.250 2.474 10.766 1.00 0.00 C ATOM 1738 C ASN A 112 0.233 3.852 10.297 1.00 0.00 C ATOM 1739 O ASN A 112 -0.530 4.797 10.240 1.00 0.00 O ATOM 1740 CB ASN A 112 0.131 2.266 12.233 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.561 1.007 12.767 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.231 0.525 13.831 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -1.510 0.446 12.064 1.00 0.00 N ATOM 0 H ASN A 112 0.951 0.738 10.469 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.333 2.430 10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.212 2.168 12.329 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.164 3.134 12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.972 -0.395 12.410 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.789 0.850 11.170 1.00 0.00 H new ATOM 1750 N LEU A 113 1.489 3.981 9.968 1.00 0.00 N ATOM 1751 CA LEU A 113 2.005 5.307 9.517 1.00 0.00 C ATOM 1752 C LEU A 113 1.292 5.735 8.230 1.00 0.00 C ATOM 1753 O LEU A 113 0.658 6.770 8.171 1.00 0.00 O ATOM 1754 CB LEU A 113 3.513 5.182 9.248 1.00 0.00 C ATOM 1755 CG LEU A 113 4.080 6.503 8.704 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.819 7.642 9.702 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.590 6.340 8.497 1.00 0.00 C ATOM 0 H LEU A 113 2.179 3.230 9.991 1.00 0.00 H new ATOM 0 HA LEU A 113 1.821 6.054 10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.030 4.910 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.694 4.381 8.532 1.00 0.00 H new ATOM 0 HG LEU A 113 3.594 6.747 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.225 8.573 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.746 7.751 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.301 7.411 10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.007 7.270 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.064 6.097 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.775 5.536 7.784 1.00 0.00 H new ATOM 1769 N MET A 114 1.406 4.946 7.204 1.00 0.00 N ATOM 1770 CA MET A 114 0.759 5.284 5.902 1.00 0.00 C ATOM 1771 C MET A 114 -0.771 5.181 6.014 1.00 0.00 C ATOM 1772 O MET A 114 -1.503 5.991 5.472 1.00 0.00 O ATOM 1773 CB MET A 114 1.258 4.285 4.853 1.00 0.00 C ATOM 1774 CG MET A 114 0.861 2.862 5.276 1.00 0.00 C ATOM 1775 SD MET A 114 2.064 1.661 4.637 1.00 0.00 S ATOM 1776 CE MET A 114 1.462 1.544 2.934 1.00 0.00 C ATOM 0 H MET A 114 1.926 4.069 7.208 1.00 0.00 H new ATOM 0 HA MET A 114 1.014 6.306 5.621 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.830 4.520 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.341 4.358 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.814 2.797 6.363 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.134 2.627 4.899 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.525 0.510 2.596 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.425 1.877 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.073 2.175 2.288 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.263 4.187 6.697 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.739 4.036 6.808 1.00 0.00 C ATOM 1788 C GLU A 115 -3.336 5.274 7.472 1.00 0.00 C ATOM 1789 O GLU A 115 -4.324 5.815 7.028 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.073 2.798 7.647 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.589 2.634 7.746 1.00 0.01 C ATOM 1792 CD GLU A 115 -4.914 1.299 8.419 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.000 0.510 8.598 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.070 1.090 8.746 1.00 0.01 O ATOM 0 H GLU A 115 -0.712 3.477 7.180 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.160 3.921 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.631 1.910 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.643 2.896 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.018 3.456 8.319 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.035 2.671 6.752 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.756 5.721 8.543 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.303 6.914 9.242 1.00 0.00 C ATOM 1803 C LYS A 116 -3.060 8.198 8.433 1.00 0.01 C ATOM 1804 O LYS A 116 -3.898 9.077 8.402 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.656 7.031 10.622 1.00 0.00 C ATOM 1806 CG LYS A 116 -3.172 5.893 11.505 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.541 5.982 12.895 1.00 0.00 C ATOM 1808 CE LYS A 116 -3.063 4.838 13.767 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.543 4.724 13.618 1.00 0.00 N ATOM 0 H LYS A 116 -1.924 5.312 8.968 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.381 6.790 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.571 6.980 10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.895 7.995 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.258 5.948 11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.934 4.932 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.455 5.928 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.780 6.941 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.586 3.901 13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.806 5.018 14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.941 4.249 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.957 5.674 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.764 4.169 12.767 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.912 8.341 7.809 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.622 9.603 7.043 1.00 0.00 C ATOM 1825 C ASP A 117 -1.844 9.432 5.533 1.00 0.00 C ATOM 1826 O ASP A 117 -2.340 10.326 4.876 1.00 0.00 O ATOM 1827 CB ASP A 117 -0.163 9.996 7.273 1.00 0.00 C ATOM 1828 CG ASP A 117 0.025 10.472 8.712 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.918 11.015 9.263 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.113 10.295 9.236 1.00 0.00 O ATOM 0 H ASP A 117 -1.167 7.645 7.796 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.307 10.372 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.488 9.145 7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.124 10.786 6.579 1.00 0.00 H new ATOM 1835 N SER A 118 -1.448 8.329 4.957 1.00 0.00 N ATOM 1836 CA SER A 118 -1.617 8.185 3.480 1.00 0.00 C ATOM 1837 C SER A 118 -3.094 8.263 3.097 1.00 0.00 C ATOM 1838 O SER A 118 -3.453 8.914 2.140 1.00 0.01 O ATOM 1839 CB SER A 118 -1.040 6.848 3.002 1.00 0.00 C ATOM 1840 OG SER A 118 -1.984 5.809 3.226 1.00 0.00 O ATOM 0 H SER A 118 -1.022 7.534 5.433 1.00 0.00 H new ATOM 0 HA SER A 118 -1.079 9.002 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.794 6.906 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.113 6.631 3.533 1.00 0.00 H new ATOM 0 HG SER A 118 -2.201 5.764 4.181 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.957 7.605 3.824 1.00 0.01 N ATOM 1847 CA TYR A 119 -5.414 7.650 3.463 1.00 0.00 C ATOM 1848 C TYR A 119 -5.895 9.096 3.369 1.00 0.01 C ATOM 1849 O TYR A 119 -6.646 9.450 2.481 1.00 0.01 O ATOM 1850 CB TYR A 119 -6.243 6.903 4.533 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.638 5.543 4.017 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -7.576 5.449 2.990 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -6.064 4.390 4.547 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -7.943 4.197 2.494 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -6.431 3.140 4.047 1.00 0.01 C ATOM 1856 CZ TYR A 119 -7.368 3.044 3.024 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.726 1.811 2.536 1.00 0.00 O ATOM 0 H TYR A 119 -3.726 7.043 4.643 1.00 0.01 H new ATOM 0 HA TYR A 119 -5.546 7.167 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.662 6.799 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -7.133 7.479 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.018 6.344 2.578 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -5.337 4.463 5.342 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -8.672 4.122 1.700 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -5.986 2.245 4.456 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.587 1.880 2.072 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.495 9.927 4.273 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.963 11.331 4.216 1.00 0.01 C ATOM 1869 C ARG A 120 -5.512 11.936 2.889 1.00 0.00 C ATOM 1870 O ARG A 120 -6.293 12.532 2.172 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.350 12.123 5.376 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.660 11.432 6.712 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.133 11.623 7.089 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.350 11.107 8.466 1.00 0.01 N ATOM 1875 CZ ARG A 120 -8.448 11.399 9.107 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -9.363 12.135 8.534 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -8.634 10.949 10.317 1.00 0.01 N ATOM 0 H ARG A 120 -4.869 9.701 5.046 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.049 11.368 4.295 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.271 12.203 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.747 13.138 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.433 10.368 6.639 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.022 11.841 7.496 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.402 12.678 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.774 11.095 6.383 1.00 0.00 H new ATOM 0 HE ARG A 120 -6.640 10.524 8.910 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.219 12.481 7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.222 12.363 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.921 10.370 10.761 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -9.492 11.177 10.819 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.264 11.782 2.551 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.775 12.345 1.266 1.00 0.01 C ATOM 1893 C ARG A 121 -4.294 11.524 0.081 1.00 0.01 C ATOM 1894 O ARG A 121 -4.634 12.072 -0.937 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.250 12.344 1.236 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.699 13.232 2.359 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.258 13.620 2.028 1.00 0.00 C ATOM 1898 NE ARG A 121 0.421 12.460 1.393 1.00 0.01 N ATOM 1899 CZ ARG A 121 1.527 12.634 0.727 1.00 0.01 C ATOM 1900 NH1 ARG A 121 2.056 13.822 0.633 1.00 0.00 N ATOM 1901 NH2 ARG A 121 2.101 11.617 0.152 1.00 0.01 N ATOM 0 H ARG A 121 -3.564 11.292 3.108 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.146 13.367 1.186 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.877 11.326 1.351 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.897 12.706 0.270 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.314 14.126 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.737 12.702 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.244 14.478 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.270 13.916 2.935 1.00 0.00 H new ATOM 0 HE ARG A 121 0.020 11.526 1.479 1.00 0.01 H new ATOM 0 HH11 ARG A 121 1.604 14.619 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.922 13.955 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.685 10.689 0.224 1.00 0.01 H new ATOM 0 HH22 ARG A 121 2.967 11.748 -0.371 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.332 10.218 0.187 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.805 9.402 -0.978 1.00 0.01 C ATOM 1917 C PHE A 122 -6.222 9.825 -1.362 1.00 0.01 C ATOM 1918 O PHE A 122 -6.493 10.139 -2.501 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.783 7.895 -0.607 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.987 7.113 -1.630 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -4.574 6.754 -2.849 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.664 6.754 -1.356 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -3.836 6.035 -3.795 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.924 6.036 -2.303 1.00 0.01 C ATOM 1925 CZ PHE A 122 -2.511 5.678 -3.523 1.00 0.00 C ATOM 0 H PHE A 122 -4.061 9.687 1.015 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.142 9.568 -1.827 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.345 7.764 0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.802 7.511 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.596 7.032 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.213 7.030 -0.414 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -4.289 5.756 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.902 5.759 -2.093 1.00 0.01 H new ATOM 0 HZ PHE A 122 -1.940 5.126 -4.255 1.00 0.00 H new ATOM 1935 N LEU A 123 -7.126 9.836 -0.432 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.515 10.243 -0.763 1.00 0.00 C ATOM 1937 C LEU A 123 -8.499 11.680 -1.288 1.00 0.01 C ATOM 1938 O LEU A 123 -9.254 12.035 -2.170 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.393 10.137 0.487 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.479 8.668 0.935 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.230 8.584 2.267 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.217 7.825 -0.128 1.00 0.01 C ATOM 0 H LEU A 123 -6.966 9.581 0.543 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.926 9.586 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.978 10.748 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.391 10.522 0.277 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.469 8.276 1.056 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.291 7.543 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.698 9.163 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.236 8.986 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.270 6.788 0.203 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.226 8.214 -0.265 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.677 7.877 -1.073 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.647 12.509 -0.746 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.577 13.932 -1.199 1.00 0.01 C ATOM 1956 C LYS A 124 -6.522 14.086 -2.312 1.00 0.01 C ATOM 1957 O LYS A 124 -6.286 15.172 -2.804 1.00 0.01 O ATOM 1958 CB LYS A 124 -7.174 14.798 -0.005 1.00 0.01 C ATOM 1959 CG LYS A 124 -8.218 14.646 1.102 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.823 15.509 2.301 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.858 15.336 3.415 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.373 16.010 4.653 1.00 0.01 N ATOM 0 H LYS A 124 -6.992 12.261 -0.004 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.547 14.239 -1.589 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -6.192 14.499 0.361 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -7.097 15.842 -0.308 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -9.199 14.945 0.734 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -8.295 13.601 1.403 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.835 15.222 2.660 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.763 16.556 2.005 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.814 15.761 3.107 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.027 14.277 3.607 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.076 15.893 5.410 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.471 15.585 4.949 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -8.233 17.023 4.465 1.00 0.01 H new ATOM 1976 N SER A 125 -5.871 13.018 -2.699 1.00 0.00 N ATOM 1977 CA SER A 125 -4.817 13.116 -3.759 1.00 0.01 C ATOM 1978 C SER A 125 -5.445 13.407 -5.119 1.00 0.01 C ATOM 1979 O SER A 125 -6.570 13.039 -5.393 1.00 0.01 O ATOM 1980 CB SER A 125 -4.035 11.803 -3.849 1.00 0.01 C ATOM 1981 OG SER A 125 -3.045 11.920 -4.862 1.00 0.01 O ATOM 0 H SER A 125 -6.023 12.080 -2.327 1.00 0.00 H new ATOM 0 HA SER A 125 -4.145 13.931 -3.489 1.00 0.01 H new ATOM 0 HB2 SER A 125 -3.567 11.577 -2.891 1.00 0.01 H new ATOM 0 HB3 SER A 125 -4.710 10.978 -4.076 1.00 0.01 H new ATOM 0 HG SER A 125 -2.539 11.083 -4.924 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.710 14.065 -5.975 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.236 14.389 -7.329 1.00 0.01 C ATOM 1989 C ARG A 126 -5.538 13.099 -8.099 1.00 0.00 C ATOM 1990 O ARG A 126 -6.535 13.004 -8.787 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.190 15.211 -8.090 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.866 14.445 -8.130 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.779 15.357 -8.700 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.454 14.647 -8.691 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.103 14.234 -7.585 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.420 14.532 -6.429 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.215 13.553 -7.635 1.00 0.01 N ATOM 0 H ARG A 126 -3.762 14.393 -5.791 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.157 14.964 -7.231 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -4.537 15.411 -9.104 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.049 16.177 -7.605 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.592 14.114 -7.128 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.967 13.551 -8.745 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.036 15.651 -9.718 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.715 16.272 -8.111 1.00 0.01 H new ATOM 0 HE ARG A 126 0.025 14.483 -9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.271 15.092 -6.384 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.022 14.205 -5.570 1.00 0.01 H new ATOM 0 HH21 ARG A 126 1.646 13.345 -8.536 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.653 13.228 -6.773 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.697 12.103 -7.991 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.965 10.829 -8.725 1.00 0.01 C ATOM 2013 C PHE A 127 -6.290 10.247 -8.237 1.00 0.01 C ATOM 2014 O PHE A 127 -7.157 9.899 -9.014 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.854 9.811 -8.439 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.544 10.282 -9.032 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.404 10.391 -10.420 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.465 10.597 -8.194 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.189 10.816 -10.971 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.251 11.019 -8.745 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.113 11.128 -10.133 1.00 0.00 C ATOM 0 H PHE A 127 -3.844 12.115 -7.432 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.004 11.035 -9.795 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.745 9.674 -7.363 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.123 8.842 -8.858 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.234 10.147 -11.067 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.571 10.514 -7.122 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.083 10.903 -12.042 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.580 11.261 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.825 11.453 -10.558 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.447 10.142 -6.948 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.707 9.586 -6.388 1.00 0.01 C ATOM 2033 C TYR A 128 -8.874 10.457 -6.834 1.00 0.01 C ATOM 2034 O TYR A 128 -9.898 9.971 -7.256 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.621 9.580 -4.864 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.855 8.935 -4.280 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.885 7.552 -4.084 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.960 9.717 -3.920 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.017 6.945 -3.532 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.095 9.108 -3.367 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.121 7.723 -3.173 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.237 7.124 -2.627 1.00 0.01 O ATOM 0 H TYR A 128 -5.752 10.419 -6.255 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.856 8.567 -6.744 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.731 9.038 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.524 10.600 -4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.032 6.950 -4.360 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.938 10.787 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.038 5.876 -3.383 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.949 9.708 -3.091 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.913 7.807 -2.433 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.721 11.745 -6.746 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.818 12.651 -7.176 1.00 0.01 C ATOM 2054 C LEU A 129 -10.124 12.411 -8.656 1.00 0.01 C ATOM 2055 O LEU A 129 -11.264 12.237 -9.041 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.384 14.106 -6.962 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.342 14.423 -5.458 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.597 15.747 -5.238 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.775 14.534 -4.890 1.00 0.01 C ATOM 0 H LEU A 129 -7.884 12.210 -6.395 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.714 12.452 -6.588 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.402 14.271 -7.405 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.078 14.779 -7.465 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.822 13.617 -4.941 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.566 15.974 -4.172 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.580 15.660 -5.620 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.116 16.548 -5.765 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.728 14.759 -3.824 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.310 15.332 -5.406 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.299 13.590 -5.039 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.118 12.395 -9.490 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.361 12.163 -10.943 1.00 0.91 C ATOM 2073 C ASP A 130 -10.024 10.796 -11.131 1.00 1.05 C ATOM 2074 O ASP A 130 -11.017 10.664 -11.821 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.024 12.186 -11.691 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.451 13.605 -11.671 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.212 14.529 -11.436 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.256 13.742 -11.878 1.00 3.36 O ATOM 0 H ASP A 130 -8.142 12.532 -9.229 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.012 12.944 -11.336 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.323 11.493 -11.226 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.165 11.854 -12.720 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.491 9.782 -10.510 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.101 8.427 -10.637 1.00 1.68 C ATOM 2085 C LEU A 131 -11.439 8.438 -9.903 1.00 2.00 C ATOM 2086 O LEU A 131 -12.411 7.852 -10.339 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.176 7.381 -9.999 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.844 7.312 -10.759 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.887 6.382 -10.005 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.065 6.772 -12.186 1.00 3.54 C ATOM 0 H LEU A 131 -8.660 9.831 -9.920 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.245 8.176 -11.688 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.994 7.636 -8.955 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.659 6.404 -10.009 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.419 8.314 -10.826 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.938 6.327 -10.538 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.717 6.771 -9.001 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.324 5.386 -9.939 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.111 6.730 -12.711 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.495 5.772 -12.134 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.746 7.432 -12.724 1.00 3.54 H new ATOM 2102 N THR A 132 -11.482 9.115 -8.785 1.00 2.68 N ATOM 2103 CA THR A 132 -12.728 9.212 -7.974 1.00 3.30 C ATOM 2104 C THR A 132 -13.151 10.680 -7.898 1.00 3.72 C ATOM 2105 O THR A 132 -12.793 11.398 -6.987 1.00 3.94 O ATOM 2106 CB THR A 132 -12.452 8.687 -6.559 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.797 9.693 -5.801 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.554 7.450 -6.624 1.00 4.63 C ATOM 0 H THR A 132 -10.685 9.616 -8.393 1.00 2.68 H new ATOM 0 HA THR A 132 -13.520 8.620 -8.432 1.00 3.30 H new ATOM 0 HB THR A 132 -13.399 8.423 -6.089 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.514 9.321 -4.940 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.364 7.085 -5.615 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.049 6.671 -7.204 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.609 7.711 -7.099 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.905 11.142 -8.845 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.329 12.568 -8.803 1.00 4.82 C ATOM 2118 C ASN A 133 -15.464 12.703 -7.760 1.00 5.34 C ATOM 2119 O ASN A 133 -16.307 11.834 -7.665 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.847 12.985 -10.181 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.887 12.482 -11.263 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -14.307 11.884 -12.235 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.607 12.698 -11.133 1.00 6.48 N ATOM 0 H ASN A 133 -14.246 10.604 -9.641 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.489 13.207 -8.531 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.844 12.575 -10.346 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -14.935 14.070 -10.235 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.959 12.365 -11.847 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.255 13.200 -10.318 1.00 6.48 H new TER 2130 ASN A 133