USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 105 SER OG : rot 127:sc= 0.288 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.568 USER MOD Set 2.1: A 56 ASN : amide:sc= -0.905 K(o=-0.9,f=-2.2!) USER MOD Set 2.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 109 LYS NZ :NH3+ 168:sc= 0.283 (180deg=-0.298) USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0 (180deg=-0.15) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN :FLIP amide:sc= -0.706 F(o=-2!,f=-0.71) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.109 (180deg=-0.957) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 103:sc= 0.97 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.72 K(o=0.72,f=-4.1!) USER MOD Single : A 18 SER OG : rot -23:sc= 0.0761 USER MOD Single : A 20 ASN : amide:sc= -0.732 K(o=-0.73,f=-4.8!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -105:sc= 0.157 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 85:sc= 0.0391 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0273) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= -0.0472 (180deg=-0.296) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -64:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -100:sc= -3.42! USER MOD Single : A 54 THR OG1 : rot 43:sc= -1.22! USER MOD Single : A 55 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= -4.67! C(o=-4.7!,f=-12!) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0714) USER MOD Single : A 63 ASN : amide:sc= -9.79! C(o=-9.8!,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.759! C(o=-0.76!,f=-9.5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -55:sc= 1.02 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -3.07 K(o=-3.1,f=-7.2!) USER MOD Single : A 111 ASN : amide:sc= -5.95! C(o=-5.9!,f=-16!) USER MOD Single : A 115 TYR OH : rot 127:sc= -1.51 USER MOD Single : A 118 THR OG1 : rot -110:sc= -0.193 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot 92:sc= -0.461 USER MOD Single : A 125 HEC O2D : rot 165:sc=-0.00572 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.542 0.665 15.977 1.00 0.00 N ATOM 2 CA ASP A 1 -8.766 0.649 14.749 1.00 0.00 C ATOM 3 C ASP A 1 -7.403 0.011 15.020 1.00 0.00 C ATOM 4 O ASP A 1 -7.027 -0.192 16.174 1.00 0.00 O ATOM 5 CB ASP A 1 -8.528 2.069 14.229 1.00 0.00 C ATOM 6 CG ASP A 1 -9.561 3.104 14.680 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.709 3.008 14.196 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.178 3.968 15.498 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.526 0.922 15.762 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.518 -0.278 16.415 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.137 1.362 16.634 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.325 0.081 14.005 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.541 2.398 14.553 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.513 2.043 13.139 1.00 0.00 H new ATOM 15 N VAL A 2 -6.699 -0.289 13.938 1.00 0.00 N ATOM 16 CA VAL A 2 -5.385 -0.900 14.045 1.00 0.00 C ATOM 17 C VAL A 2 -5.541 -2.420 14.133 1.00 0.00 C ATOM 18 O VAL A 2 -4.776 -3.162 13.519 1.00 0.00 O ATOM 19 CB VAL A 2 -4.627 -0.307 15.234 1.00 0.00 C ATOM 20 CG1 VAL A 2 -3.125 -0.569 15.113 1.00 0.00 C ATOM 21 CG2 VAL A 2 -4.913 1.189 15.375 1.00 0.00 C ATOM 0 H VAL A 2 -7.014 -0.120 12.983 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.790 -0.684 13.158 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.981 -0.803 16.138 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.610 -0.137 15.971 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.944 -1.644 15.085 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.749 -0.113 14.197 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.362 1.586 16.228 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.600 1.706 14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.981 1.342 15.530 1.00 0.00 H new ATOM 31 N THR A 3 -6.536 -2.837 14.901 1.00 0.00 N ATOM 32 CA THR A 3 -6.801 -4.255 15.078 1.00 0.00 C ATOM 33 C THR A 3 -6.674 -4.991 13.742 1.00 0.00 C ATOM 34 O THR A 3 -6.154 -6.105 13.690 1.00 0.00 O ATOM 35 CB THR A 3 -8.181 -4.401 15.723 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.964 -4.053 17.088 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.649 -5.857 15.780 1.00 0.00 C ATOM 0 H THR A 3 -7.169 -2.218 15.408 1.00 0.00 H new ATOM 0 HA THR A 3 -6.067 -4.716 15.739 1.00 0.00 H new ATOM 0 HB THR A 3 -8.907 -3.808 15.167 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.809 -4.119 17.581 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.633 -5.905 16.246 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.707 -6.261 14.769 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.941 -6.444 16.365 1.00 0.00 H new ATOM 45 N ASN A 4 -7.158 -4.339 12.695 1.00 0.00 N ATOM 46 CA ASN A 4 -7.105 -4.918 11.363 1.00 0.00 C ATOM 47 C ASN A 4 -5.718 -4.679 10.763 1.00 0.00 C ATOM 48 O ASN A 4 -5.081 -5.609 10.273 1.00 0.00 O ATOM 49 CB ASN A 4 -8.138 -4.271 10.440 1.00 0.00 C ATOM 50 CG ASN A 4 -9.337 -3.751 11.237 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.692 -4.534 12.252 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 -9.902 -2.709 10.950 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.589 -3.416 12.742 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.317 -5.984 11.449 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.677 -3.449 9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.476 -4.997 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.578 -2.155 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.698 -2.392 11.503 1.00 0.00 H new ATOM 59 N ALA A 5 -5.292 -3.425 10.821 1.00 0.00 N ATOM 60 CA ALA A 5 -3.992 -3.052 10.288 1.00 0.00 C ATOM 61 C ALA A 5 -2.922 -3.976 10.873 1.00 0.00 C ATOM 62 O ALA A 5 -2.138 -4.568 10.133 1.00 0.00 O ATOM 63 CB ALA A 5 -3.720 -1.577 10.594 1.00 0.00 C ATOM 0 H ALA A 5 -5.823 -2.655 11.228 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.972 -3.170 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.745 -1.296 10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.492 -0.961 10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.729 -1.422 11.673 1.00 0.00 H new ATOM 69 N GLU A 6 -2.924 -4.070 12.194 1.00 0.00 N ATOM 70 CA GLU A 6 -1.963 -4.911 12.886 1.00 0.00 C ATOM 71 C GLU A 6 -2.125 -6.370 12.452 1.00 0.00 C ATOM 72 O GLU A 6 -1.143 -7.103 12.350 1.00 0.00 O ATOM 73 CB GLU A 6 -2.104 -4.772 14.403 1.00 0.00 C ATOM 74 CG GLU A 6 -1.238 -5.802 15.131 1.00 0.00 C ATOM 75 CD GLU A 6 0.250 -5.532 14.896 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.678 -4.401 15.211 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.925 -6.463 14.406 1.00 0.00 O ATOM 0 H GLU A 6 -3.576 -3.577 12.804 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.960 -4.581 12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.814 -3.767 14.708 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.148 -4.903 14.688 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.452 -5.772 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.489 -6.804 14.783 1.00 0.00 H new ATOM 84 N LYS A 7 -3.371 -6.746 12.208 1.00 0.00 N ATOM 85 CA LYS A 7 -3.674 -8.103 11.787 1.00 0.00 C ATOM 86 C LYS A 7 -3.000 -8.378 10.442 1.00 0.00 C ATOM 87 O LYS A 7 -2.313 -9.386 10.282 1.00 0.00 O ATOM 88 CB LYS A 7 -5.187 -8.335 11.776 1.00 0.00 C ATOM 89 CG LYS A 7 -5.513 -9.813 11.550 1.00 0.00 C ATOM 90 CD LYS A 7 -5.832 -10.513 12.872 1.00 0.00 C ATOM 91 CE LYS A 7 -7.185 -11.224 12.803 1.00 0.00 C ATOM 92 NZ LYS A 7 -7.038 -12.557 12.177 1.00 0.00 N ATOM 0 H LYS A 7 -4.183 -6.135 12.294 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.269 -8.822 12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.616 -8.005 12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.645 -7.734 10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.363 -9.902 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.668 -10.306 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.049 -11.235 13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.842 -9.783 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.598 -11.330 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.890 -10.622 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.766 -13.199 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.150 -12.471 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.095 -12.939 12.392 1.00 0.00 H new ATOM 106 N LEU A 8 -3.219 -7.464 9.508 1.00 0.00 N ATOM 107 CA LEU A 8 -2.641 -7.596 8.182 1.00 0.00 C ATOM 108 C LEU A 8 -1.133 -7.824 8.307 1.00 0.00 C ATOM 109 O LEU A 8 -0.577 -8.699 7.645 1.00 0.00 O ATOM 110 CB LEU A 8 -3.010 -6.390 7.314 1.00 0.00 C ATOM 111 CG LEU A 8 -4.484 -6.273 6.921 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.645 -5.467 5.630 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.136 -7.654 6.820 1.00 0.00 C ATOM 0 H LEU A 8 -3.789 -6.629 9.644 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.054 -8.466 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.723 -5.483 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.413 -6.427 6.403 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.005 -5.728 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.702 -5.399 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.241 -4.465 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.106 -5.962 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.183 -7.542 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.619 -8.246 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.071 -8.159 7.784 1.00 0.00 H new ATOM 125 N VAL A 9 -0.515 -7.023 9.162 1.00 0.00 N ATOM 126 CA VAL A 9 0.917 -7.126 9.383 1.00 0.00 C ATOM 127 C VAL A 9 1.252 -8.537 9.872 1.00 0.00 C ATOM 128 O VAL A 9 2.055 -9.258 9.284 1.00 0.00 O ATOM 129 CB VAL A 9 1.378 -6.033 10.350 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.881 -6.136 10.617 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.008 -4.645 9.825 1.00 0.00 C ATOM 0 H VAL A 9 -0.980 -6.299 9.710 1.00 0.00 H new ATOM 0 HA VAL A 9 1.460 -6.966 8.451 1.00 0.00 H new ATOM 0 HB VAL A 9 0.859 -6.182 11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.183 -5.348 11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.107 -7.108 11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.426 -6.025 9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.347 -3.887 10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.487 -4.482 8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.074 -4.576 9.710 1.00 0.00 H new ATOM 141 N TYR A 10 0.609 -8.919 10.978 1.00 0.00 N ATOM 142 CA TYR A 10 0.818 -10.225 11.569 1.00 0.00 C ATOM 143 C TYR A 10 0.230 -11.300 10.666 1.00 0.00 C ATOM 144 O TYR A 10 0.396 -12.482 10.964 1.00 0.00 O ATOM 145 CB TYR A 10 0.171 -10.265 12.951 1.00 0.00 C ATOM 146 CG TYR A 10 0.626 -11.431 13.796 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.745 -11.298 14.627 1.00 0.00 C ATOM 148 CD2 TYR A 10 -0.070 -12.644 13.748 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.168 -12.379 15.410 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.352 -13.725 14.531 1.00 0.00 C ATOM 151 CZ TYR A 10 1.471 -13.593 15.362 1.00 0.00 C ATOM 152 OH TYR A 10 1.883 -14.646 16.125 1.00 0.00 O ATOM 0 H TYR A 10 -0.061 -8.334 11.477 1.00 0.00 H new ATOM 0 HA TYR A 10 1.886 -10.414 11.676 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.396 -9.337 13.476 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.912 -10.311 12.835 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.282 -10.362 14.664 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.933 -12.746 13.107 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.031 -12.277 16.051 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.186 -14.661 14.494 1.00 0.00 H new ATOM 0 HH TYR A 10 1.290 -15.411 15.974 1.00 0.00 H new ATOM 162 N LYS A 11 -0.435 -10.881 9.600 1.00 0.00 N ATOM 163 CA LYS A 11 -1.035 -11.825 8.673 1.00 0.00 C ATOM 164 C LYS A 11 -0.100 -12.027 7.479 1.00 0.00 C ATOM 165 O LYS A 11 0.535 -13.067 7.315 1.00 0.00 O ATOM 166 CB LYS A 11 -2.443 -11.370 8.281 1.00 0.00 C ATOM 167 CG LYS A 11 -3.490 -11.940 9.240 1.00 0.00 C ATOM 168 CD LYS A 11 -3.649 -13.449 9.044 1.00 0.00 C ATOM 169 CE LYS A 11 -5.058 -13.906 9.428 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.082 -15.366 9.668 1.00 0.00 N ATOM 0 H LYS A 11 -0.572 -9.900 9.357 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.160 -12.798 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.492 -10.281 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.663 -11.692 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.197 -11.732 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.447 -11.445 9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.450 -13.707 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.913 -13.978 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.386 -13.379 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.759 -13.651 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.045 -15.659 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.789 -15.865 8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.428 -15.601 10.442 1.00 0.00 H new ATOM 184 N TYR A 12 -0.028 -10.993 6.638 1.00 0.00 N ATOM 185 CA TYR A 12 0.812 -11.027 5.458 1.00 0.00 C ATOM 186 C TYR A 12 2.232 -11.417 5.845 1.00 0.00 C ATOM 187 O TYR A 12 2.978 -11.877 4.982 1.00 0.00 O ATOM 188 CB TYR A 12 0.793 -9.659 4.782 1.00 0.00 C ATOM 189 CG TYR A 12 -0.539 -9.311 4.163 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.951 -9.947 2.986 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.363 -8.353 4.766 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.187 -9.625 2.412 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.599 -8.031 4.192 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.011 -8.667 3.015 1.00 0.00 C ATOM 195 OH TYR A 12 -4.215 -8.353 2.456 1.00 0.00 O ATOM 0 H TYR A 12 -0.546 -10.123 6.760 1.00 0.00 H new ATOM 0 HA TYR A 12 0.431 -11.770 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.054 -8.896 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.561 -9.634 4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.316 -10.686 2.521 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.045 -7.862 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.505 -10.116 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.234 -7.292 4.657 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.661 -7.671 3.001 1.00 0.00 H new ATOM 205 N THR A 13 2.573 -11.233 7.112 1.00 0.00 N ATOM 206 CA THR A 13 3.904 -11.573 7.586 1.00 0.00 C ATOM 207 C THR A 13 4.032 -13.086 7.775 1.00 0.00 C ATOM 208 O THR A 13 4.984 -13.697 7.293 1.00 0.00 O ATOM 209 CB THR A 13 4.168 -10.776 8.865 1.00 0.00 C ATOM 210 OG1 THR A 13 4.266 -9.426 8.419 1.00 0.00 O ATOM 211 CG2 THR A 13 5.544 -11.071 9.465 1.00 0.00 C ATOM 0 H THR A 13 1.951 -10.853 7.825 1.00 0.00 H new ATOM 0 HA THR A 13 4.666 -11.303 6.855 1.00 0.00 H new ATOM 0 HB THR A 13 3.395 -11.003 9.600 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.438 -8.949 8.635 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.680 -10.480 10.370 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.615 -12.131 9.710 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.319 -10.813 8.743 1.00 0.00 H new ATOM 219 N ASN A 14 3.059 -13.646 8.478 1.00 0.00 N ATOM 220 CA ASN A 14 3.051 -15.076 8.737 1.00 0.00 C ATOM 221 C ASN A 14 3.100 -15.831 7.407 1.00 0.00 C ATOM 222 O ASN A 14 3.977 -16.668 7.196 1.00 0.00 O ATOM 223 CB ASN A 14 1.776 -15.496 9.473 1.00 0.00 C ATOM 224 CG ASN A 14 2.076 -15.847 10.931 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.326 -14.992 11.764 1.00 0.00 O ATOM 226 ND2 ASN A 14 2.036 -17.151 11.192 1.00 0.00 N ATOM 0 H ASN A 14 2.271 -13.136 8.876 1.00 0.00 H new ATOM 0 HA ASN A 14 3.918 -15.312 9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.045 -14.688 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.329 -16.355 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.221 -17.488 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.820 -17.814 10.447 1.00 0.00 H new ATOM 233 N ILE A 15 2.147 -15.509 6.545 1.00 0.00 N ATOM 234 CA ILE A 15 2.070 -16.146 5.242 1.00 0.00 C ATOM 235 C ILE A 15 3.438 -16.071 4.561 1.00 0.00 C ATOM 236 O ILE A 15 3.966 -17.084 4.105 1.00 0.00 O ATOM 237 CB ILE A 15 0.937 -15.538 4.414 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.427 -16.011 4.920 1.00 0.00 C ATOM 239 CG2 ILE A 15 1.128 -15.830 2.924 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.328 -14.823 5.261 1.00 0.00 C ATOM 0 H ILE A 15 1.421 -14.815 6.724 1.00 0.00 H new ATOM 0 HA ILE A 15 1.824 -17.202 5.349 1.00 0.00 H new ATOM 0 HB ILE A 15 0.968 -14.455 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.906 -16.629 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.294 -16.636 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.309 -15.386 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.073 -15.404 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.138 -16.908 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.291 -15.188 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.857 -14.221 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.479 -14.213 4.370 1.00 0.00 H new ATOM 252 N ALA A 16 3.974 -14.860 4.513 1.00 0.00 N ATOM 253 CA ALA A 16 5.270 -14.639 3.895 1.00 0.00 C ATOM 254 C ALA A 16 6.281 -15.632 4.472 1.00 0.00 C ATOM 255 O ALA A 16 6.902 -16.392 3.730 1.00 0.00 O ATOM 256 CB ALA A 16 5.696 -13.184 4.107 1.00 0.00 C ATOM 0 H ALA A 16 3.534 -14.022 4.892 1.00 0.00 H new ATOM 0 HA ALA A 16 5.216 -14.810 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.668 -13.018 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.960 -12.520 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.763 -12.976 5.175 1.00 0.00 H new ATOM 262 N HIS A 17 6.415 -15.593 5.789 1.00 0.00 N ATOM 263 CA HIS A 17 7.339 -16.481 6.474 1.00 0.00 C ATOM 264 C HIS A 17 6.957 -17.935 6.195 1.00 0.00 C ATOM 265 O HIS A 17 7.820 -18.810 6.147 1.00 0.00 O ATOM 266 CB HIS A 17 7.396 -16.159 7.969 1.00 0.00 C ATOM 267 CG HIS A 17 8.427 -16.956 8.730 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.772 -16.626 8.741 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.298 -18.070 9.507 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.413 -17.509 9.492 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.498 -18.403 9.965 1.00 0.00 N ATOM 0 H HIS A 17 5.899 -14.960 6.400 1.00 0.00 H new ATOM 0 HA HIS A 17 8.347 -16.327 6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.608 -15.097 8.094 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.415 -16.342 8.407 1.00 0.00 H new ATOM 0 HD1 HIS A 17 10.197 -15.837 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.376 -18.592 9.714 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.474 -17.519 9.694 1.00 0.00 H new ATOM 279 N SER A 18 5.661 -18.149 6.017 1.00 0.00 N ATOM 280 CA SER A 18 5.154 -19.483 5.744 1.00 0.00 C ATOM 281 C SER A 18 5.568 -19.923 4.339 1.00 0.00 C ATOM 282 O SER A 18 5.470 -21.101 3.999 1.00 0.00 O ATOM 283 CB SER A 18 3.631 -19.534 5.889 1.00 0.00 C ATOM 284 OG SER A 18 3.108 -20.823 5.583 1.00 0.00 O ATOM 0 H SER A 18 4.948 -17.421 6.057 1.00 0.00 H new ATOM 0 HA SER A 18 5.585 -20.168 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.355 -19.263 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.179 -18.794 5.229 1.00 0.00 H new ATOM 0 HG SER A 18 3.737 -21.302 5.004 1.00 0.00 H new ATOM 290 N ALA A 19 6.020 -18.952 3.559 1.00 0.00 N ATOM 291 CA ALA A 19 6.450 -19.225 2.197 1.00 0.00 C ATOM 292 C ALA A 19 7.978 -19.282 2.151 1.00 0.00 C ATOM 293 O ALA A 19 8.550 -20.135 1.474 1.00 0.00 O ATOM 294 CB ALA A 19 5.877 -18.160 1.259 1.00 0.00 C ATOM 0 H ALA A 19 6.098 -17.976 3.843 1.00 0.00 H new ATOM 0 HA ALA A 19 6.074 -20.192 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.199 -18.364 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.788 -18.180 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.235 -17.177 1.563 1.00 0.00 H new ATOM 300 N ASN A 20 8.595 -18.362 2.878 1.00 0.00 N ATOM 301 CA ASN A 20 10.046 -18.298 2.929 1.00 0.00 C ATOM 302 C ASN A 20 10.490 -18.006 4.364 1.00 0.00 C ATOM 303 O ASN A 20 10.060 -17.044 4.997 1.00 0.00 O ATOM 304 CB ASN A 20 10.578 -17.178 2.032 1.00 0.00 C ATOM 305 CG ASN A 20 11.577 -17.723 1.009 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.873 -18.906 0.961 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.079 -16.797 0.197 1.00 0.00 N ATOM 0 H ASN A 20 8.117 -17.655 3.436 1.00 0.00 H new ATOM 0 HA ASN A 20 10.439 -19.255 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.748 -16.696 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.058 -16.414 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.755 -17.060 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.788 -15.824 0.291 1.00 0.00 H new ATOM 314 N PRO A 21 11.372 -18.872 4.868 1.00 0.00 N ATOM 315 CA PRO A 21 11.927 -18.787 6.202 1.00 0.00 C ATOM 316 C PRO A 21 12.872 -17.597 6.287 1.00 0.00 C ATOM 317 O PRO A 21 13.395 -17.330 7.368 1.00 0.00 O ATOM 318 CB PRO A 21 12.681 -20.101 6.397 1.00 0.00 C ATOM 319 CG PRO A 21 13.019 -20.552 5.037 1.00 0.00 C ATOM 320 CD PRO A 21 11.897 -20.014 4.152 1.00 0.00 C ATOM 0 HA PRO A 21 11.167 -18.644 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.578 -19.956 6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.065 -20.836 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.989 -20.166 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.076 -21.639 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.272 -19.726 3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.126 -20.767 3.990 1.00 0.00 H new ATOM 328 N MET A 22 13.072 -16.917 5.168 1.00 0.00 N ATOM 329 CA MET A 22 13.958 -15.765 5.141 1.00 0.00 C ATOM 330 C MET A 22 13.234 -14.506 5.622 1.00 0.00 C ATOM 331 O MET A 22 13.774 -13.685 6.361 1.00 0.00 O ATOM 332 CB MET A 22 14.469 -15.547 3.715 1.00 0.00 C ATOM 333 CG MET A 22 15.035 -16.843 3.132 1.00 0.00 C ATOM 334 SD MET A 22 16.808 -16.718 2.972 1.00 0.00 S ATOM 335 CE MET A 22 16.943 -16.457 1.211 1.00 0.00 C ATOM 0 H MET A 22 12.636 -17.141 4.273 1.00 0.00 H new ATOM 0 HA MET A 22 14.796 -15.958 5.811 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.657 -15.185 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.240 -14.777 3.715 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.778 -17.684 3.776 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.587 -17.039 2.158 1.00 0.00 H new ATOM 0 HE1 MET A 22 17.993 -16.357 0.937 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.510 -17.306 0.683 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.409 -15.548 0.936 1.00 0.00 H new ATOM 345 N TYR A 23 11.982 -14.371 5.180 1.00 0.00 N ATOM 346 CA TYR A 23 11.163 -13.232 5.544 1.00 0.00 C ATOM 347 C TYR A 23 10.529 -13.467 6.908 1.00 0.00 C ATOM 348 O TYR A 23 9.935 -14.524 7.114 1.00 0.00 O ATOM 349 CB TYR A 23 10.091 -13.018 4.480 1.00 0.00 C ATOM 350 CG TYR A 23 9.393 -11.683 4.587 1.00 0.00 C ATOM 351 CD1 TYR A 23 8.285 -11.538 5.431 1.00 0.00 C ATOM 352 CD2 TYR A 23 9.854 -10.590 3.843 1.00 0.00 C ATOM 353 CE1 TYR A 23 7.639 -10.301 5.531 1.00 0.00 C ATOM 354 CE2 TYR A 23 9.207 -9.353 3.943 1.00 0.00 C ATOM 355 CZ TYR A 23 8.099 -9.208 4.787 1.00 0.00 C ATOM 356 OH TYR A 23 7.470 -8.002 4.885 1.00 0.00 O ATOM 0 H TYR A 23 11.519 -15.043 4.568 1.00 0.00 H new ATOM 0 HA TYR A 23 11.783 -12.337 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.547 -13.102 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.350 -13.814 4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.929 -12.381 6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.709 -10.702 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.785 -10.189 6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.562 -8.510 3.369 1.00 0.00 H new ATOM 0 HH TYR A 23 6.934 -7.846 4.079 1.00 0.00 H new ATOM 366 N GLU A 24 10.664 -12.496 7.800 1.00 0.00 N ATOM 367 CA GLU A 24 10.097 -12.619 9.132 1.00 0.00 C ATOM 368 C GLU A 24 9.120 -11.473 9.400 1.00 0.00 C ATOM 369 O GLU A 24 8.032 -11.691 9.932 1.00 0.00 O ATOM 370 CB GLU A 24 11.197 -12.662 10.194 1.00 0.00 C ATOM 371 CG GLU A 24 12.161 -13.822 9.938 1.00 0.00 C ATOM 372 CD GLU A 24 12.268 -14.728 11.167 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.185 -14.178 12.286 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.429 -15.950 10.958 1.00 0.00 O ATOM 0 H GLU A 24 11.158 -11.621 7.626 1.00 0.00 H new ATOM 0 HA GLU A 24 9.548 -13.559 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.746 -11.721 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.749 -12.768 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.817 -14.403 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.146 -13.431 9.683 1.00 0.00 H new ATOM 381 N ALA A 25 9.542 -10.276 9.020 1.00 0.00 N ATOM 382 CA ALA A 25 8.718 -9.095 9.214 1.00 0.00 C ATOM 383 C ALA A 25 9.279 -7.944 8.376 1.00 0.00 C ATOM 384 O ALA A 25 10.314 -8.056 7.724 1.00 0.00 O ATOM 385 CB ALA A 25 8.655 -8.755 10.704 1.00 0.00 C ATOM 0 H ALA A 25 10.444 -10.099 8.579 1.00 0.00 H new ATOM 0 HA ALA A 25 7.697 -9.280 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.037 -7.869 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.222 -9.593 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.661 -8.560 11.076 1.00 0.00 H new ATOM 391 N PRO A 26 8.561 -6.819 8.410 1.00 0.00 N ATOM 392 CA PRO A 26 8.906 -5.609 7.696 1.00 0.00 C ATOM 393 C PRO A 26 10.108 -4.950 8.358 1.00 0.00 C ATOM 394 O PRO A 26 10.536 -5.419 9.412 1.00 0.00 O ATOM 395 CB PRO A 26 7.667 -4.723 7.805 1.00 0.00 C ATOM 396 CG PRO A 26 6.509 -5.655 8.361 1.00 0.00 C ATOM 397 CD PRO A 26 7.338 -6.653 9.166 1.00 0.00 C ATOM 0 HA PRO A 26 9.177 -5.793 6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.847 -3.882 8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.399 -4.306 6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.796 -5.110 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.939 -6.133 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.542 -6.279 10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.813 -7.601 9.280 1.00 0.00 H new ATOM 405 N SER A 27 10.622 -3.897 7.741 1.00 0.00 N ATOM 406 CA SER A 27 11.771 -3.197 8.290 1.00 0.00 C ATOM 407 C SER A 27 11.656 -1.698 8.004 1.00 0.00 C ATOM 408 O SER A 27 12.646 -0.971 8.071 1.00 0.00 O ATOM 409 CB SER A 27 13.078 -3.747 7.714 1.00 0.00 C ATOM 410 OG SER A 27 14.052 -3.977 8.728 1.00 0.00 O ATOM 0 H SER A 27 10.265 -3.511 6.867 1.00 0.00 H new ATOM 0 HA SER A 27 11.785 -3.356 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.878 -4.679 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.476 -3.044 6.982 1.00 0.00 H new ATOM 0 HG SER A 27 14.871 -4.329 8.321 1.00 0.00 H new ATOM 416 N ILE A 28 10.438 -1.279 7.692 1.00 0.00 N ATOM 417 CA ILE A 28 10.181 0.120 7.397 1.00 0.00 C ATOM 418 C ILE A 28 11.333 0.681 6.561 1.00 0.00 C ATOM 419 O ILE A 28 11.642 1.869 6.642 1.00 0.00 O ATOM 420 CB ILE A 28 9.918 0.900 8.686 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.111 0.801 9.639 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.616 0.445 9.348 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.063 1.907 10.695 1.00 0.00 C ATOM 0 H ILE A 28 9.619 -1.884 7.637 1.00 0.00 H new ATOM 0 HA ILE A 28 9.275 0.223 6.800 1.00 0.00 H new ATOM 0 HB ILE A 28 9.797 1.952 8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.111 -0.173 10.128 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.040 0.874 9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.454 1.016 10.262 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.783 0.610 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.682 -0.616 9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.922 1.813 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.088 2.880 10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.145 1.817 11.275 1.00 0.00 H new ATOM 435 N THR A 29 11.938 -0.201 5.778 1.00 0.00 N ATOM 436 CA THR A 29 13.050 0.192 4.929 1.00 0.00 C ATOM 437 C THR A 29 12.934 -0.475 3.557 1.00 0.00 C ATOM 438 O THR A 29 13.877 -0.447 2.768 1.00 0.00 O ATOM 439 CB THR A 29 14.348 -0.149 5.663 1.00 0.00 C ATOM 440 OG1 THR A 29 14.521 0.926 6.582 1.00 0.00 O ATOM 441 CG2 THR A 29 15.575 -0.062 4.753 1.00 0.00 C ATOM 0 H THR A 29 11.679 -1.186 5.714 1.00 0.00 H new ATOM 0 HA THR A 29 13.041 1.265 4.736 1.00 0.00 H new ATOM 0 HB THR A 29 14.275 -1.153 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.016 0.741 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.469 -0.313 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.464 -0.762 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.667 0.951 4.362 1.00 0.00 H new ATOM 449 N ASP A 30 11.769 -1.057 3.314 1.00 0.00 N ATOM 450 CA ASP A 30 11.518 -1.730 2.051 1.00 0.00 C ATOM 451 C ASP A 30 10.366 -1.030 1.326 1.00 0.00 C ATOM 452 O ASP A 30 10.384 -0.903 0.102 1.00 0.00 O ATOM 453 CB ASP A 30 11.118 -3.189 2.274 1.00 0.00 C ATOM 454 CG ASP A 30 11.827 -4.199 1.369 1.00 0.00 C ATOM 455 OD1 ASP A 30 13.032 -4.427 1.608 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.147 -4.721 0.459 1.00 0.00 O ATOM 0 H ASP A 30 10.988 -1.076 3.970 1.00 0.00 H new ATOM 0 HA ASP A 30 12.434 -1.693 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.319 -3.451 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.042 -3.282 2.124 1.00 0.00 H new ATOM 461 N GLY A 31 9.392 -0.594 2.112 1.00 0.00 N ATOM 462 CA GLY A 31 8.235 0.090 1.560 1.00 0.00 C ATOM 463 C GLY A 31 8.570 1.541 1.212 1.00 0.00 C ATOM 464 O GLY A 31 7.886 2.463 1.653 1.00 0.00 O ATOM 0 H GLY A 31 9.381 -0.701 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.892 -0.432 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.416 0.065 2.279 1.00 0.00 H new ATOM 468 N LYS A 32 9.623 1.699 0.423 1.00 0.00 N ATOM 469 CA LYS A 32 10.057 3.023 0.010 1.00 0.00 C ATOM 470 C LYS A 32 10.354 3.013 -1.491 1.00 0.00 C ATOM 471 O LYS A 32 9.663 3.670 -2.268 1.00 0.00 O ATOM 472 CB LYS A 32 11.236 3.492 0.867 1.00 0.00 C ATOM 473 CG LYS A 32 10.857 4.721 1.695 1.00 0.00 C ATOM 474 CD LYS A 32 10.607 5.933 0.795 1.00 0.00 C ATOM 475 CE LYS A 32 11.155 7.211 1.432 1.00 0.00 C ATOM 476 NZ LYS A 32 10.296 8.368 1.094 1.00 0.00 N ATOM 0 H LYS A 32 10.188 0.932 0.059 1.00 0.00 H new ATOM 0 HA LYS A 32 9.263 3.752 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.552 2.686 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.085 3.729 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.963 4.508 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.655 4.947 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.079 5.774 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.538 6.042 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.206 7.092 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.172 7.391 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.682 9.227 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.269 8.490 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.333 8.200 1.448 1.00 0.00 H new ATOM 490 N ILE A 33 11.382 2.260 -1.853 1.00 0.00 N ATOM 491 CA ILE A 33 11.779 2.157 -3.247 1.00 0.00 C ATOM 492 C ILE A 33 10.687 1.424 -4.030 1.00 0.00 C ATOM 493 O ILE A 33 10.511 1.659 -5.225 1.00 0.00 O ATOM 494 CB ILE A 33 13.160 1.508 -3.365 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.217 2.333 -2.628 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.533 1.276 -4.830 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.427 1.471 -2.262 1.00 0.00 C ATOM 0 H ILE A 33 11.952 1.716 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 33 11.879 3.148 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 33 13.121 0.530 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.535 3.166 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.784 2.761 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.519 0.814 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.797 0.618 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.549 2.230 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 33 16.164 2.081 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 33 15.109 0.653 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.872 1.064 -3.170 1.00 0.00 H new ATOM 509 N PHE A 34 9.982 0.552 -3.325 1.00 0.00 N ATOM 510 CA PHE A 34 8.912 -0.217 -3.939 1.00 0.00 C ATOM 511 C PHE A 34 7.704 0.672 -4.244 1.00 0.00 C ATOM 512 O PHE A 34 6.855 0.312 -5.057 1.00 0.00 O ATOM 513 CB PHE A 34 8.499 -1.292 -2.932 1.00 0.00 C ATOM 514 CG PHE A 34 7.181 -1.990 -3.273 1.00 0.00 C ATOM 515 CD1 PHE A 34 7.117 -2.846 -4.328 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.072 -1.754 -2.521 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.894 -3.493 -4.644 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.849 -2.402 -2.837 1.00 0.00 C ATOM 519 CZ PHE A 34 4.786 -3.258 -3.892 1.00 0.00 C ATOM 0 H PHE A 34 10.130 0.360 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 34 9.256 -0.651 -4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.289 -2.040 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.413 -0.837 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.997 -3.033 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.122 -1.074 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.843 -4.172 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.969 -2.215 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.856 -3.751 -4.132 1.00 0.00 H new ATOM 529 N PHE A 35 7.667 1.814 -3.574 1.00 0.00 N ATOM 530 CA PHE A 35 6.577 2.757 -3.763 1.00 0.00 C ATOM 531 C PHE A 35 7.047 3.991 -4.535 1.00 0.00 C ATOM 532 O PHE A 35 6.302 4.960 -4.677 1.00 0.00 O ATOM 533 CB PHE A 35 6.112 3.187 -2.370 1.00 0.00 C ATOM 534 CG PHE A 35 4.992 4.230 -2.383 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.740 3.879 -2.781 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.249 5.508 -1.997 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.701 4.847 -2.793 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.210 6.476 -2.009 1.00 0.00 C ATOM 539 CZ PHE A 35 2.958 6.125 -2.407 1.00 0.00 C ATOM 0 H PHE A 35 8.374 2.108 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 35 5.775 2.289 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.769 2.308 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.964 3.590 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.536 2.864 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.243 5.787 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.707 4.568 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.414 7.491 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.168 6.861 -2.416 1.00 0.00 H new ATOM 549 N ASN A 36 8.281 3.916 -5.013 1.00 0.00 N ATOM 550 CA ASN A 36 8.859 5.016 -5.767 1.00 0.00 C ATOM 551 C ASN A 36 9.614 4.458 -6.975 1.00 0.00 C ATOM 552 O ASN A 36 10.486 5.126 -7.529 1.00 0.00 O ATOM 553 CB ASN A 36 9.852 5.806 -4.913 1.00 0.00 C ATOM 554 CG ASN A 36 9.129 6.592 -3.817 1.00 0.00 C ATOM 555 OD1 ASN A 36 9.074 7.811 -3.824 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.579 5.828 -2.877 1.00 0.00 N ATOM 0 H ASN A 36 8.896 3.111 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 36 8.048 5.674 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.572 5.124 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.416 6.492 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.074 6.257 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.662 4.813 -2.931 1.00 0.00 H new ATOM 563 N ARG A 37 9.250 3.240 -7.349 1.00 0.00 N ATOM 564 CA ARG A 37 9.882 2.585 -8.482 1.00 0.00 C ATOM 565 C ARG A 37 9.033 2.766 -9.741 1.00 0.00 C ATOM 566 O ARG A 37 7.909 2.270 -9.813 1.00 0.00 O ATOM 567 CB ARG A 37 10.077 1.091 -8.216 1.00 0.00 C ATOM 568 CG ARG A 37 10.804 0.417 -9.381 1.00 0.00 C ATOM 569 CD ARG A 37 11.646 -0.764 -8.893 1.00 0.00 C ATOM 570 NE ARG A 37 12.805 -0.964 -9.791 1.00 0.00 N ATOM 571 CZ ARG A 37 13.811 -0.089 -9.926 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.806 1.051 -9.222 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.822 -0.354 -10.764 1.00 0.00 N ATOM 0 H ARG A 37 8.526 2.690 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 37 10.859 3.046 -8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.648 0.953 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.108 0.616 -8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.077 0.071 -10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.445 1.142 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.991 -0.579 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.037 -1.668 -8.864 1.00 0.00 H new ATOM 0 HE ARG A 37 12.840 -1.822 -10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.037 1.253 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.572 1.717 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.826 -1.222 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.587 0.312 -10.866 1.00 0.00 H new ATOM 587 N LYS A 38 9.602 3.478 -10.703 1.00 0.00 N ATOM 588 CA LYS A 38 8.910 3.730 -11.956 1.00 0.00 C ATOM 589 C LYS A 38 8.837 2.432 -12.763 1.00 0.00 C ATOM 590 O LYS A 38 9.791 2.069 -13.449 1.00 0.00 O ATOM 591 CB LYS A 38 9.571 4.886 -12.709 1.00 0.00 C ATOM 592 CG LYS A 38 8.972 5.043 -14.108 1.00 0.00 C ATOM 593 CD LYS A 38 9.938 5.779 -15.039 1.00 0.00 C ATOM 594 CE LYS A 38 10.398 7.100 -14.418 1.00 0.00 C ATOM 595 NZ LYS A 38 9.264 8.045 -14.311 1.00 0.00 N ATOM 0 H LYS A 38 10.534 3.888 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 38 7.884 4.047 -11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.441 5.812 -12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.644 4.708 -12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.741 4.061 -14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.032 5.592 -14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.803 5.148 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.451 5.972 -15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.821 6.917 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.189 7.539 -15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.606 8.959 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.836 8.181 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.552 7.660 -13.658 1.00 0.00 H new ATOM 609 N PHE A 39 7.694 1.770 -12.655 1.00 0.00 N ATOM 610 CA PHE A 39 7.484 0.521 -13.367 1.00 0.00 C ATOM 611 C PHE A 39 6.535 0.717 -14.551 1.00 0.00 C ATOM 612 O PHE A 39 5.818 1.714 -14.617 1.00 0.00 O ATOM 613 CB PHE A 39 6.848 -0.457 -12.376 1.00 0.00 C ATOM 614 CG PHE A 39 5.545 0.048 -11.754 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.380 -0.038 -12.451 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.550 0.582 -10.503 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.171 0.430 -11.874 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.340 1.050 -9.925 1.00 0.00 C ATOM 619 CZ PHE A 39 3.176 0.964 -10.623 1.00 0.00 C ATOM 0 H PHE A 39 6.905 2.075 -12.086 1.00 0.00 H new ATOM 0 HA PHE A 39 8.433 0.150 -13.754 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.653 -1.400 -12.886 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.562 -0.667 -11.579 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.375 -0.463 -13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.475 0.650 -9.949 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.247 0.362 -12.428 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.344 1.474 -8.932 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.256 1.320 -10.184 1.00 0.00 H new ATOM 629 N LYS A 40 6.561 -0.250 -15.456 1.00 0.00 N ATOM 630 CA LYS A 40 5.712 -0.196 -16.634 1.00 0.00 C ATOM 631 C LYS A 40 4.577 -1.210 -16.486 1.00 0.00 C ATOM 632 O LYS A 40 4.798 -2.333 -16.037 1.00 0.00 O ATOM 633 CB LYS A 40 6.545 -0.385 -17.904 1.00 0.00 C ATOM 634 CG LYS A 40 6.010 0.483 -19.045 1.00 0.00 C ATOM 635 CD LYS A 40 4.974 -0.279 -19.874 1.00 0.00 C ATOM 636 CE LYS A 40 5.555 -0.698 -21.226 1.00 0.00 C ATOM 637 NZ LYS A 40 5.802 0.489 -22.075 1.00 0.00 N ATOM 0 H LYS A 40 7.157 -1.076 -15.397 1.00 0.00 H new ATOM 0 HA LYS A 40 5.251 0.787 -16.727 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.585 -0.127 -17.703 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.528 -1.434 -18.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.560 1.389 -18.638 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.834 0.797 -19.686 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.643 -1.162 -19.327 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.096 0.347 -20.030 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.486 -1.244 -21.075 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.866 -1.376 -21.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.765 0.213 -23.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.075 1.208 -21.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.741 0.881 -21.859 1.00 0.00 H new ATOM 651 N THR A 41 3.386 -0.777 -16.873 1.00 0.00 N ATOM 652 CA THR A 41 2.215 -1.634 -16.789 1.00 0.00 C ATOM 653 C THR A 41 1.733 -2.017 -18.189 1.00 0.00 C ATOM 654 O THR A 41 1.874 -1.271 -19.155 1.00 0.00 O ATOM 655 CB THR A 41 1.155 -0.906 -15.959 1.00 0.00 C ATOM 656 OG1 THR A 41 0.164 -0.533 -16.913 1.00 0.00 O ATOM 657 CG2 THR A 41 1.660 0.428 -15.405 1.00 0.00 C ATOM 0 H THR A 41 3.207 0.155 -17.245 1.00 0.00 H new ATOM 0 HA THR A 41 2.448 -2.575 -16.291 1.00 0.00 H new ATOM 0 HB THR A 41 0.837 -1.544 -15.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.563 -0.056 -16.460 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.870 0.903 -14.824 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.525 0.252 -14.765 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.946 1.080 -16.230 1.00 0.00 H new ATOM 665 N PRO A 42 1.153 -3.216 -18.278 1.00 0.00 N ATOM 666 CA PRO A 42 0.623 -3.778 -19.502 1.00 0.00 C ATOM 667 C PRO A 42 -0.756 -3.195 -19.777 1.00 0.00 C ATOM 668 O PRO A 42 -1.665 -3.953 -20.111 1.00 0.00 O ATOM 669 CB PRO A 42 0.540 -5.280 -19.239 1.00 0.00 C ATOM 670 CG PRO A 42 0.209 -5.311 -17.740 1.00 0.00 C ATOM 671 CD PRO A 42 0.970 -4.120 -17.162 1.00 0.00 C ATOM 0 HA PRO A 42 1.241 -3.557 -20.373 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.233 -5.759 -19.840 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.478 -5.788 -19.462 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.863 -5.220 -17.567 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.527 -6.247 -17.281 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.408 -3.645 -16.357 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.928 -4.429 -16.743 1.00 0.00 H new ATOM 679 N SER A 43 -0.886 -1.884 -19.633 1.00 0.00 N ATOM 680 CA SER A 43 -2.160 -1.228 -19.869 1.00 0.00 C ATOM 681 C SER A 43 -2.028 0.276 -19.624 1.00 0.00 C ATOM 682 O SER A 43 -2.746 0.839 -18.799 1.00 0.00 O ATOM 683 CB SER A 43 -3.256 -1.817 -18.979 1.00 0.00 C ATOM 684 OG SER A 43 -4.431 -1.011 -18.975 1.00 0.00 O ATOM 0 H SER A 43 -0.129 -1.259 -19.356 1.00 0.00 H new ATOM 0 HA SER A 43 -2.444 -1.396 -20.908 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.505 -2.820 -19.326 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.881 -1.917 -17.960 1.00 0.00 H new ATOM 0 HG SER A 43 -4.227 -0.137 -18.581 1.00 0.00 H new ATOM 690 N GLY A 44 -1.105 0.884 -20.354 1.00 0.00 N ATOM 691 CA GLY A 44 -0.869 2.312 -20.226 1.00 0.00 C ATOM 692 C GLY A 44 0.584 2.660 -20.555 1.00 0.00 C ATOM 693 O GLY A 44 0.947 2.786 -21.723 1.00 0.00 O ATOM 0 H GLY A 44 -0.511 0.413 -21.037 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.537 2.856 -20.894 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.103 2.633 -19.211 1.00 0.00 H new ATOM 697 N LYS A 45 1.377 2.805 -19.503 1.00 0.00 N ATOM 698 CA LYS A 45 2.782 3.135 -19.665 1.00 0.00 C ATOM 699 C LYS A 45 3.415 3.342 -18.288 1.00 0.00 C ATOM 700 O LYS A 45 2.717 3.353 -17.275 1.00 0.00 O ATOM 701 CB LYS A 45 2.946 4.333 -20.603 1.00 0.00 C ATOM 702 CG LYS A 45 3.593 3.911 -21.924 1.00 0.00 C ATOM 703 CD LYS A 45 3.279 4.915 -23.034 1.00 0.00 C ATOM 704 CE LYS A 45 4.564 5.445 -23.674 1.00 0.00 C ATOM 705 NZ LYS A 45 4.965 4.590 -24.814 1.00 0.00 N ATOM 0 H LYS A 45 1.072 2.700 -18.535 1.00 0.00 H new ATOM 0 HA LYS A 45 3.314 2.311 -20.141 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.972 4.782 -20.798 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.558 5.095 -20.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.672 3.832 -21.795 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.233 2.923 -22.210 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.659 4.440 -23.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.703 5.745 -22.626 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.412 6.469 -24.015 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.363 5.471 -22.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.839 4.963 -25.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.130 3.619 -24.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.209 4.586 -25.528 1.00 0.00 H new ATOM 719 N GLU A 46 4.731 3.500 -18.294 1.00 0.00 N ATOM 720 CA GLU A 46 5.466 3.706 -17.058 1.00 0.00 C ATOM 721 C GLU A 46 4.573 4.382 -16.016 1.00 0.00 C ATOM 722 O GLU A 46 3.842 5.319 -16.333 1.00 0.00 O ATOM 723 CB GLU A 46 6.736 4.522 -17.304 1.00 0.00 C ATOM 724 CG GLU A 46 6.404 5.874 -17.938 1.00 0.00 C ATOM 725 CD GLU A 46 7.080 7.017 -17.177 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.437 7.530 -16.236 1.00 0.00 O ATOM 727 OE2 GLU A 46 8.224 7.352 -17.554 1.00 0.00 O ATOM 0 H GLU A 46 5.307 3.489 -19.136 1.00 0.00 H new ATOM 0 HA GLU A 46 5.769 2.733 -16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.261 4.677 -16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.409 3.966 -17.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.730 5.882 -18.978 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.324 6.023 -17.941 1.00 0.00 H new ATOM 734 N ALA A 47 4.662 3.881 -14.792 1.00 0.00 N ATOM 735 CA ALA A 47 3.871 4.426 -13.701 1.00 0.00 C ATOM 736 C ALA A 47 4.643 4.269 -12.390 1.00 0.00 C ATOM 737 O ALA A 47 5.821 3.914 -12.397 1.00 0.00 O ATOM 738 CB ALA A 47 2.508 3.731 -13.662 1.00 0.00 C ATOM 0 H ALA A 47 5.269 3.104 -14.532 1.00 0.00 H new ATOM 0 HA ALA A 47 3.690 5.490 -13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.915 4.139 -12.844 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.988 3.897 -14.606 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.649 2.661 -13.509 1.00 0.00 H new ATOM 744 N ALA A 48 3.948 4.541 -11.295 1.00 0.00 N ATOM 745 CA ALA A 48 4.554 4.434 -9.979 1.00 0.00 C ATOM 746 C ALA A 48 3.473 4.607 -8.910 1.00 0.00 C ATOM 747 O ALA A 48 2.499 5.329 -9.117 1.00 0.00 O ATOM 748 CB ALA A 48 5.675 5.467 -9.847 1.00 0.00 C ATOM 0 H ALA A 48 2.971 4.835 -11.292 1.00 0.00 H new ATOM 0 HA ALA A 48 5.001 3.449 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.129 5.387 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.431 5.283 -10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.264 6.468 -9.977 1.00 0.00 H new ATOM 754 N CYS A 49 3.682 3.933 -7.788 1.00 0.00 N ATOM 755 CA CYS A 49 2.738 4.003 -6.686 1.00 0.00 C ATOM 756 C CYS A 49 2.677 5.452 -6.197 1.00 0.00 C ATOM 757 O CYS A 49 1.759 5.827 -5.469 1.00 0.00 O ATOM 758 CB CYS A 49 3.109 3.036 -5.560 1.00 0.00 C ATOM 759 SG CYS A 49 3.422 1.315 -6.099 1.00 0.00 S ATOM 0 H CYS A 49 4.491 3.336 -7.619 1.00 0.00 H new ATOM 0 HA CYS A 49 1.751 3.694 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.999 3.412 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.305 3.031 -4.824 1.00 0.00 H new ATOM 764 N ALA A 50 3.667 6.226 -6.617 1.00 0.00 N ATOM 765 CA ALA A 50 3.737 7.625 -6.231 1.00 0.00 C ATOM 766 C ALA A 50 3.177 8.491 -7.361 1.00 0.00 C ATOM 767 O ALA A 50 3.206 9.718 -7.281 1.00 0.00 O ATOM 768 CB ALA A 50 5.182 7.986 -5.882 1.00 0.00 C ATOM 0 H ALA A 50 4.427 5.911 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 50 3.131 7.809 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.235 9.035 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.523 7.364 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.819 7.817 -6.750 1.00 0.00 H new ATOM 774 N SER A 51 2.679 7.817 -8.388 1.00 0.00 N ATOM 775 CA SER A 51 2.113 8.509 -9.533 1.00 0.00 C ATOM 776 C SER A 51 0.729 9.060 -9.180 1.00 0.00 C ATOM 777 O SER A 51 0.287 10.053 -9.756 1.00 0.00 O ATOM 778 CB SER A 51 2.021 7.583 -10.747 1.00 0.00 C ATOM 779 OG SER A 51 1.048 6.558 -10.564 1.00 0.00 O ATOM 0 H SER A 51 2.656 6.799 -8.451 1.00 0.00 H new ATOM 0 HA SER A 51 2.772 9.338 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.769 8.168 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.995 7.130 -10.932 1.00 0.00 H new ATOM 0 HG SER A 51 1.495 5.724 -10.311 1.00 0.00 H new ATOM 785 N CYS A 52 0.085 8.390 -8.236 1.00 0.00 N ATOM 786 CA CYS A 52 -1.239 8.800 -7.799 1.00 0.00 C ATOM 787 C CYS A 52 -1.175 9.118 -6.304 1.00 0.00 C ATOM 788 O CYS A 52 -1.675 10.148 -5.857 1.00 0.00 O ATOM 789 CB CYS A 52 -2.293 7.735 -8.112 1.00 0.00 C ATOM 790 SG CYS A 52 -2.311 7.381 -9.907 1.00 0.00 S ATOM 0 H CYS A 52 0.455 7.566 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.545 9.692 -8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.077 6.823 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.276 8.079 -7.791 1.00 0.00 H new ATOM 795 N HIS A 53 -0.549 8.205 -5.560 1.00 0.00 N ATOM 796 CA HIS A 53 -0.389 8.335 -4.116 1.00 0.00 C ATOM 797 C HIS A 53 0.845 9.201 -3.805 1.00 0.00 C ATOM 798 O HIS A 53 1.318 9.219 -2.670 1.00 0.00 O ATOM 799 CB HIS A 53 -0.350 6.932 -3.492 1.00 0.00 C ATOM 800 CG HIS A 53 -1.479 5.995 -3.856 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.763 6.303 -3.653 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.470 4.741 -4.419 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.526 5.281 -4.073 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.777 4.290 -4.556 1.00 0.00 N ATOM 0 H HIS A 53 -0.139 7.354 -5.945 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.235 8.854 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.590 6.459 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.336 7.042 -2.408 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.107 7.172 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.586 4.193 -4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.605 5.264 -4.026 1.00 0.00 H new ATOM 812 N THR A 54 1.325 9.892 -4.828 1.00 0.00 N ATOM 813 CA THR A 54 2.486 10.751 -4.673 1.00 0.00 C ATOM 814 C THR A 54 3.623 9.991 -3.987 1.00 0.00 C ATOM 815 O THR A 54 3.432 8.869 -3.522 1.00 0.00 O ATOM 816 CB THR A 54 2.049 12.005 -3.913 1.00 0.00 C ATOM 817 OG1 THR A 54 1.459 11.500 -2.719 1.00 0.00 O ATOM 818 CG2 THR A 54 0.904 12.743 -4.611 1.00 0.00 C ATOM 0 H THR A 54 0.930 9.874 -5.768 1.00 0.00 H new ATOM 0 HA THR A 54 2.880 11.061 -5.641 1.00 0.00 H new ATOM 0 HB THR A 54 2.900 12.677 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.009 10.770 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.632 13.625 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.222 13.048 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.041 12.082 -4.692 1.00 0.00 H new ATOM 826 N ASN A 55 4.781 10.634 -3.944 1.00 0.00 N ATOM 827 CA ASN A 55 5.949 10.033 -3.323 1.00 0.00 C ATOM 828 C ASN A 55 5.587 9.570 -1.910 1.00 0.00 C ATOM 829 O ASN A 55 6.236 8.682 -1.360 1.00 0.00 O ATOM 830 CB ASN A 55 7.094 11.041 -3.211 1.00 0.00 C ATOM 831 CG ASN A 55 6.645 12.301 -2.468 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.597 12.350 -1.250 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.320 13.314 -3.266 1.00 0.00 N ATOM 0 H ASN A 55 4.935 11.566 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 55 6.267 9.194 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.934 10.585 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.447 11.308 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.008 14.199 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.383 13.206 -4.278 1.00 0.00 H new ATOM 840 N ASN A 56 4.553 10.192 -1.364 1.00 0.00 N ATOM 841 CA ASN A 56 4.098 9.855 -0.026 1.00 0.00 C ATOM 842 C ASN A 56 2.576 9.696 -0.035 1.00 0.00 C ATOM 843 O ASN A 56 1.833 10.556 -0.502 1.00 0.00 O ATOM 844 CB ASN A 56 4.451 10.960 0.971 1.00 0.00 C ATOM 845 CG ASN A 56 4.825 10.371 2.333 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.436 9.320 2.437 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.425 11.104 3.368 1.00 0.00 N ATOM 0 H ASN A 56 4.017 10.928 -1.824 1.00 0.00 H new ATOM 0 HA ASN A 56 4.589 8.929 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.282 11.550 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.604 11.637 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.626 10.796 4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.917 11.975 3.211 1.00 0.00 H new ATOM 854 N PRO A 57 2.125 8.559 0.499 1.00 0.00 N ATOM 855 CA PRO A 57 0.725 8.202 0.597 1.00 0.00 C ATOM 856 C PRO A 57 0.058 9.045 1.673 1.00 0.00 C ATOM 857 O PRO A 57 -1.073 9.484 1.468 1.00 0.00 O ATOM 858 CB PRO A 57 0.724 6.723 0.980 1.00 0.00 C ATOM 859 CG PRO A 57 2.020 6.608 1.822 1.00 0.00 C ATOM 860 CD PRO A 57 2.971 7.526 1.057 1.00 0.00 C ATOM 0 HA PRO A 57 0.177 8.376 -0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.161 6.451 1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.747 6.075 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.871 6.939 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.389 5.583 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.728 7.949 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.500 6.983 0.274 1.00 0.00 H new ATOM 868 N ALA A 58 0.752 9.251 2.783 1.00 0.00 N ATOM 869 CA ALA A 58 0.205 10.041 3.873 1.00 0.00 C ATOM 870 C ALA A 58 -0.151 11.437 3.357 1.00 0.00 C ATOM 871 O ALA A 58 -0.897 12.170 4.004 1.00 0.00 O ATOM 872 CB ALA A 58 1.209 10.084 5.026 1.00 0.00 C ATOM 0 H ALA A 58 1.689 8.884 2.951 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.710 9.587 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.799 10.677 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.405 9.070 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.139 10.536 4.682 1.00 0.00 H new ATOM 878 N ASN A 59 0.400 11.762 2.196 1.00 0.00 N ATOM 879 CA ASN A 59 0.150 13.057 1.586 1.00 0.00 C ATOM 880 C ASN A 59 -1.093 12.966 0.699 1.00 0.00 C ATOM 881 O ASN A 59 -1.643 11.883 0.503 1.00 0.00 O ATOM 882 CB ASN A 59 1.326 13.489 0.709 1.00 0.00 C ATOM 883 CG ASN A 59 1.418 15.014 0.627 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.451 15.731 0.826 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.631 15.467 0.323 1.00 0.00 N ATOM 0 H ASN A 59 1.018 11.151 1.662 1.00 0.00 H new ATOM 0 HA ASN A 59 0.010 13.785 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.254 13.086 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.209 13.074 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.796 16.471 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.397 14.811 0.169 1.00 0.00 H new ATOM 892 N VAL A 60 -1.500 14.118 0.186 1.00 0.00 N ATOM 893 CA VAL A 60 -2.668 14.182 -0.676 1.00 0.00 C ATOM 894 C VAL A 60 -2.305 13.642 -2.060 1.00 0.00 C ATOM 895 O VAL A 60 -1.433 14.188 -2.734 1.00 0.00 O ATOM 896 CB VAL A 60 -3.212 15.612 -0.715 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.094 15.830 -1.946 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.972 15.945 0.570 1.00 0.00 C ATOM 0 H VAL A 60 -1.042 15.014 0.351 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.468 13.555 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.363 16.291 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.467 16.854 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.509 15.654 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.935 15.137 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.348 16.967 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.809 15.256 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.302 15.850 1.424 1.00 0.00 H new ATOM 908 N GLY A 61 -2.993 12.576 -2.444 1.00 0.00 N ATOM 909 CA GLY A 61 -2.754 11.957 -3.736 1.00 0.00 C ATOM 910 C GLY A 61 -3.641 12.580 -4.816 1.00 0.00 C ATOM 911 O GLY A 61 -4.352 13.550 -4.557 1.00 0.00 O ATOM 0 H GLY A 61 -3.716 12.126 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.705 12.073 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.950 10.887 -3.672 1.00 0.00 H new ATOM 915 N LYS A 62 -3.570 11.998 -6.004 1.00 0.00 N ATOM 916 CA LYS A 62 -4.358 12.484 -7.124 1.00 0.00 C ATOM 917 C LYS A 62 -4.444 11.393 -8.193 1.00 0.00 C ATOM 918 O LYS A 62 -3.443 10.754 -8.514 1.00 0.00 O ATOM 919 CB LYS A 62 -3.793 13.809 -7.641 1.00 0.00 C ATOM 920 CG LYS A 62 -4.482 14.228 -8.941 1.00 0.00 C ATOM 921 CD LYS A 62 -3.875 15.520 -9.491 1.00 0.00 C ATOM 922 CE LYS A 62 -2.352 15.411 -9.594 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.704 16.131 -8.475 1.00 0.00 N ATOM 0 H LYS A 62 -2.979 11.194 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.378 12.701 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.928 14.585 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.721 13.710 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.386 13.433 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.548 14.370 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.295 15.733 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.140 16.355 -8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.055 14.362 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.015 15.825 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.770 15.714 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.591 17.134 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.295 16.052 -7.623 1.00 0.00 H new ATOM 937 N ASN A 63 -5.648 11.214 -8.714 1.00 0.00 N ATOM 938 CA ASN A 63 -5.878 10.211 -9.741 1.00 0.00 C ATOM 939 C ASN A 63 -5.577 10.815 -11.114 1.00 0.00 C ATOM 940 O ASN A 63 -6.072 11.891 -11.445 1.00 0.00 O ATOM 941 CB ASN A 63 -7.335 9.745 -9.738 1.00 0.00 C ATOM 942 CG ASN A 63 -7.595 8.760 -8.597 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.685 8.209 -7.999 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.883 8.570 -8.328 1.00 0.00 N ATOM 0 H ASN A 63 -6.475 11.746 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.227 9.361 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.995 10.606 -9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.571 9.273 -10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.159 7.931 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.595 9.063 -8.867 1.00 0.00 H new ATOM 951 N ILE A 64 -4.767 10.095 -11.876 1.00 0.00 N ATOM 952 CA ILE A 64 -4.394 10.547 -13.206 1.00 0.00 C ATOM 953 C ILE A 64 -5.488 10.151 -14.200 1.00 0.00 C ATOM 954 O ILE A 64 -5.333 10.337 -15.406 1.00 0.00 O ATOM 955 CB ILE A 64 -3.005 10.023 -13.579 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.075 8.567 -14.043 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.020 10.211 -12.424 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.724 8.101 -14.590 1.00 0.00 C ATOM 0 H ILE A 64 -4.359 9.202 -11.598 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.318 11.634 -13.232 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.632 10.610 -14.418 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.374 7.930 -13.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.839 8.463 -14.814 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.041 9.830 -12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.940 11.271 -12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.376 9.666 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.801 7.063 -14.913 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.440 8.725 -15.438 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.968 8.183 -13.810 1.00 0.00 H new ATOM 970 N VAL A 65 -6.569 9.612 -13.656 1.00 0.00 N ATOM 971 CA VAL A 65 -7.689 9.189 -14.480 1.00 0.00 C ATOM 972 C VAL A 65 -8.621 10.378 -14.717 1.00 0.00 C ATOM 973 O VAL A 65 -8.921 10.719 -15.860 1.00 0.00 O ATOM 974 CB VAL A 65 -8.394 7.996 -13.831 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.673 7.636 -14.591 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.457 6.791 -13.734 1.00 0.00 C ATOM 0 H VAL A 65 -6.693 9.458 -12.655 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.339 8.852 -15.456 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.675 8.284 -12.818 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.155 6.785 -14.110 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.352 8.489 -14.585 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.424 7.377 -15.620 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.983 5.957 -13.269 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.131 6.502 -14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.588 7.053 -13.130 1.00 0.00 H new ATOM 986 N THR A 66 -9.054 10.978 -13.617 1.00 0.00 N ATOM 987 CA THR A 66 -9.946 12.123 -13.691 1.00 0.00 C ATOM 988 C THR A 66 -9.202 13.404 -13.308 1.00 0.00 C ATOM 989 O THR A 66 -9.490 14.475 -13.839 1.00 0.00 O ATOM 990 CB THR A 66 -11.158 11.835 -12.803 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.596 11.592 -11.516 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.848 10.517 -13.163 1.00 0.00 C ATOM 0 H THR A 66 -8.804 10.693 -12.670 1.00 0.00 H new ATOM 0 HA THR A 66 -10.301 12.283 -14.709 1.00 0.00 H new ATOM 0 HB THR A 66 -11.872 12.654 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.313 11.398 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.701 10.361 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.191 10.557 -14.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.143 9.694 -13.046 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.260 13.251 -12.389 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.473 14.382 -11.929 1.00 0.00 C ATOM 1002 C GLY A 67 -8.237 15.191 -10.878 1.00 0.00 C ATOM 1003 O GLY A 67 -8.147 16.417 -10.847 1.00 0.00 O ATOM 0 H GLY A 67 -8.024 12.361 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.532 14.028 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.222 15.023 -12.774 1.00 0.00 H new ATOM 1007 N LYS A 68 -8.973 14.471 -10.044 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.752 15.106 -8.995 1.00 0.00 C ATOM 1009 C LYS A 68 -8.855 15.363 -7.783 1.00 0.00 C ATOM 1010 O LYS A 68 -8.161 16.377 -7.724 1.00 0.00 O ATOM 1011 CB LYS A 68 -10.996 14.275 -8.674 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.118 14.557 -9.677 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.156 15.511 -9.084 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.376 14.745 -8.570 1.00 0.00 C ATOM 1015 NZ LYS A 68 -14.652 15.096 -7.159 1.00 0.00 N ATOM 0 H LYS A 68 -9.046 13.454 -10.074 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.122 16.075 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.744 13.215 -8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.340 14.503 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.698 14.989 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.599 13.622 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.709 16.079 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.467 16.231 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.245 14.978 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.202 13.672 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.483 14.567 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.828 14.851 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.839 16.116 -7.085 1.00 0.00 H new ATOM 1029 N GLU A 69 -8.898 14.428 -6.846 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.098 14.540 -5.639 1.00 0.00 C ATOM 1031 C GLU A 69 -8.309 13.316 -4.746 1.00 0.00 C ATOM 1032 O GLU A 69 -9.436 13.013 -4.358 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.421 15.831 -4.884 1.00 0.00 C ATOM 1034 CG GLU A 69 -9.740 15.703 -4.118 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.137 17.037 -3.482 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.585 17.919 -4.247 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -9.983 17.145 -2.247 1.00 0.00 O ATOM 0 H GLU A 69 -9.475 13.589 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.047 14.579 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.614 16.062 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.484 16.662 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.527 15.370 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.643 14.942 -3.344 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.206 12.645 -4.445 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.256 11.461 -3.605 1.00 0.00 C ATOM 1046 C ILE A 70 -6.649 11.784 -2.238 1.00 0.00 C ATOM 1047 O ILE A 70 -5.439 11.934 -2.081 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.591 10.276 -4.309 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.201 10.049 -5.694 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.654 9.017 -3.442 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.401 9.103 -5.616 1.00 0.00 C ATOM 0 H ILE A 70 -6.273 12.899 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.289 11.160 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.537 10.513 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.513 11.003 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.448 9.633 -6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.174 8.190 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.137 9.198 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.695 8.765 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.816 8.959 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.081 8.142 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.162 9.534 -4.965 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.529 11.888 -1.240 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.175 12.185 0.131 1.00 0.00 C ATOM 1065 C PRO A 71 -6.053 11.262 0.581 1.00 0.00 C ATOM 1066 O PRO A 71 -5.765 10.265 -0.078 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.451 11.925 0.929 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.552 12.181 -0.062 1.00 0.00 C ATOM 1069 CD PRO A 71 -8.958 11.718 -1.390 1.00 0.00 C ATOM 0 HA PRO A 71 -6.819 13.206 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.484 10.904 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.526 12.588 1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.454 11.624 0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.827 13.235 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.212 10.678 -1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.341 12.310 -2.221 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.417 11.596 1.706 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.327 10.839 2.283 1.00 0.00 C ATOM 1079 C PRO A 72 -4.643 9.352 2.208 1.00 0.00 C ATOM 1080 O PRO A 72 -5.710 8.947 2.667 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.250 11.309 3.734 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.491 12.323 3.949 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.730 12.761 2.506 1.00 0.00 C ATOM 0 HA PRO A 72 -3.382 10.991 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.315 10.465 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.301 11.808 3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.361 11.831 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.238 13.159 4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.762 13.078 2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.095 13.606 2.239 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.729 8.579 1.639 1.00 0.00 N ATOM 1092 CA LEU A 73 -3.933 7.146 1.515 1.00 0.00 C ATOM 1093 C LEU A 73 -3.682 6.480 2.870 1.00 0.00 C ATOM 1094 O LEU A 73 -4.300 5.466 3.191 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.075 6.578 0.383 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.948 5.054 0.336 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.134 4.428 -0.400 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -1.609 4.633 -0.272 1.00 0.00 C ATOM 0 H LEU A 73 -2.845 8.918 1.259 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.966 6.931 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.490 6.917 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.075 7.004 0.464 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.969 4.678 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.019 3.344 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.059 4.686 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.170 4.807 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.545 3.545 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.533 5.021 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.794 5.033 0.331 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.774 7.077 3.628 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.434 6.555 4.940 1.00 0.00 C ATOM 1112 C ALA A 74 -3.700 6.032 5.620 1.00 0.00 C ATOM 1113 O ALA A 74 -4.484 6.779 6.202 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.739 7.645 5.759 1.00 0.00 C ATOM 0 H ALA A 74 -2.263 7.918 3.358 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.739 5.720 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.484 7.253 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.830 7.961 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.408 8.499 5.870 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.885 4.713 5.532 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.011 4.006 6.103 1.00 0.00 C ATOM 1122 C PRO A 75 -4.988 4.148 7.618 1.00 0.00 C ATOM 1123 O PRO A 75 -6.003 3.875 8.256 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.813 2.551 5.686 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.823 2.565 4.557 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.983 3.805 4.856 1.00 0.00 C ATOM 0 HA PRO A 75 -5.971 4.392 5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.443 1.955 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.756 2.106 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.216 1.660 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.316 2.635 3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.126 3.560 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.591 4.247 3.940 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.851 4.562 8.159 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.723 4.729 9.596 1.00 0.00 C ATOM 1136 C ARG A 76 -3.948 6.192 9.983 1.00 0.00 C ATOM 1137 O ARG A 76 -4.651 6.481 10.950 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.341 4.287 10.081 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.363 3.956 11.575 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.115 4.496 12.275 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.945 3.835 13.588 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.249 4.357 14.607 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.346 5.550 14.471 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -0.149 3.686 15.763 1.00 0.00 N ATOM 0 H ARG A 76 -3.010 4.787 7.627 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.479 4.104 10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.016 3.413 9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.615 5.078 9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.255 4.384 12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.422 2.876 11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.236 4.322 11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.201 5.574 12.410 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.385 2.925 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.269 6.061 13.592 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.876 5.947 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.603 2.778 15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.381 4.083 16.539 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.337 7.076 9.209 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.461 8.502 9.458 1.00 0.00 C ATOM 1160 C VAL A 77 -4.943 8.882 9.495 1.00 0.00 C ATOM 1161 O VAL A 77 -5.361 9.684 10.327 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.668 9.288 8.412 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.034 10.773 8.448 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.163 9.089 8.602 1.00 0.00 C ATOM 0 H VAL A 77 -2.754 6.832 8.408 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.035 8.758 10.428 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.935 8.901 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.456 11.309 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.098 10.891 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.809 11.179 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.622 9.658 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.872 9.436 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.920 8.031 8.502 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.696 8.286 8.582 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.122 8.552 8.499 1.00 0.00 C ATOM 1176 C ASN A 78 -7.880 7.501 9.312 1.00 0.00 C ATOM 1177 O ASN A 78 -7.569 6.313 9.241 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.614 8.475 7.052 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.614 9.132 6.098 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.585 9.652 6.497 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -6.972 9.078 4.818 1.00 0.00 N ATOM 0 H ASN A 78 -5.345 7.620 7.894 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.301 9.554 8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.761 7.433 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.582 8.968 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.371 9.487 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.848 8.627 4.552 1.00 0.00 H new ATOM 1188 N THR A 79 -8.861 7.976 10.065 1.00 0.00 N ATOM 1189 CA THR A 79 -9.666 7.092 10.891 1.00 0.00 C ATOM 1190 C THR A 79 -10.808 6.489 10.070 1.00 0.00 C ATOM 1191 O THR A 79 -11.565 5.659 10.570 1.00 0.00 O ATOM 1192 CB THR A 79 -10.147 7.888 12.106 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.543 9.145 11.564 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.007 8.238 13.064 1.00 0.00 C ATOM 0 H THR A 79 -9.117 8.962 10.121 1.00 0.00 H new ATOM 0 HA THR A 79 -9.082 6.245 11.250 1.00 0.00 H new ATOM 0 HB THR A 79 -10.906 7.315 12.638 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.870 9.723 12.284 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.402 8.802 13.909 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.542 7.321 13.426 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.264 8.840 12.541 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.894 6.929 8.823 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.931 6.442 7.928 1.00 0.00 C ATOM 1204 C LYS A 80 -11.291 5.588 6.832 1.00 0.00 C ATOM 1205 O LYS A 80 -11.641 5.714 5.659 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.766 7.607 7.393 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.730 8.128 8.461 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.458 9.383 7.977 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.566 10.420 9.096 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.960 10.517 9.582 1.00 0.00 N ATOM 0 H LYS A 80 -10.263 7.617 8.411 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.630 5.800 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.107 8.413 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.329 7.284 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.457 7.354 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.179 8.352 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.925 9.812 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.455 9.117 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.906 10.145 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.233 11.392 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.014 11.226 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.582 10.801 8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.265 9.593 9.949 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.366 4.738 7.252 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.675 3.864 6.320 1.00 0.00 C ATOM 1226 C ARG A 81 -9.387 2.511 6.975 1.00 0.00 C ATOM 1227 O ARG A 81 -9.571 2.350 8.180 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.358 4.487 5.853 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.613 5.696 4.950 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.763 5.267 3.489 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.526 6.423 2.596 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.474 7.295 2.228 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.729 7.148 2.674 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.168 8.314 1.414 1.00 0.00 N ATOM 0 H ARG A 81 -10.079 4.636 8.225 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.324 3.723 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.769 4.792 6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.771 3.743 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.515 6.213 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.789 6.404 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.056 4.470 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.762 4.865 3.320 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.581 6.565 2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.962 6.372 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.451 7.812 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.213 8.426 1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.890 8.978 1.134 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.940 1.574 6.152 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.625 0.241 6.636 1.00 0.00 C ATOM 1250 C PHE A 82 -9.628 -0.207 7.701 1.00 0.00 C ATOM 1251 O PHE A 82 -9.278 -0.336 8.873 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.231 0.310 7.262 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.104 -0.113 6.318 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.301 -0.098 4.973 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.903 -0.503 6.825 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.255 -0.490 4.097 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.857 -0.895 5.949 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.054 -0.881 4.604 1.00 0.00 C ATOM 0 H PHE A 82 -8.788 1.712 5.153 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.666 -0.473 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.045 1.330 7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.209 -0.327 8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.254 0.212 4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.746 -0.514 7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.412 -0.478 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.904 -1.205 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.258 -1.180 3.938 1.00 0.00 H new ATOM 1268 N THR A 83 -10.856 -0.431 7.256 1.00 0.00 N ATOM 1269 CA THR A 83 -11.912 -0.862 8.156 1.00 0.00 C ATOM 1270 C THR A 83 -12.266 -2.328 7.901 1.00 0.00 C ATOM 1271 O THR A 83 -12.002 -3.189 8.739 1.00 0.00 O ATOM 1272 CB THR A 83 -13.098 0.089 7.982 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.512 1.387 8.027 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.047 0.067 9.182 1.00 0.00 C ATOM 0 H THR A 83 -11.143 -0.322 6.283 1.00 0.00 H new ATOM 0 HA THR A 83 -11.589 -0.815 9.196 1.00 0.00 H new ATOM 0 HB THR A 83 -13.648 -0.178 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.211 2.065 7.920 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.871 0.759 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.441 -0.940 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.506 0.367 10.079 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.858 -2.567 6.740 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.250 -3.915 6.364 1.00 0.00 C ATOM 1284 C ASP A 84 -12.012 -4.698 5.923 1.00 0.00 C ATOM 1285 O ASP A 84 -11.394 -4.371 4.911 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.238 -3.895 5.196 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.793 -5.263 4.795 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -14.610 -6.206 5.595 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.390 -5.334 3.699 1.00 0.00 O ATOM 0 H ASP A 84 -13.076 -1.850 6.048 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.722 -4.382 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.072 -3.243 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.745 -3.452 4.331 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.686 -5.717 6.705 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.533 -6.549 6.408 1.00 0.00 C ATOM 1296 C ILE A 85 -10.739 -7.234 5.055 1.00 0.00 C ATOM 1297 O ILE A 85 -9.809 -7.326 4.254 1.00 0.00 O ATOM 1298 CB ILE A 85 -10.266 -7.524 7.556 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.783 -6.782 8.804 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.289 -8.621 7.128 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -10.342 -7.426 10.075 1.00 0.00 C ATOM 0 H ILE A 85 -12.201 -5.985 7.544 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.634 -5.938 6.323 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.205 -8.012 7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.694 -6.789 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.093 -5.738 8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.116 -9.300 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.710 -9.176 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.344 -8.169 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.984 -6.880 10.948 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.431 -7.395 10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.010 -8.462 10.134 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.962 -7.697 4.842 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.301 -8.371 3.600 1.00 0.00 C ATOM 1315 C ASP A 86 -11.851 -7.509 2.418 1.00 0.00 C ATOM 1316 O ASP A 86 -10.898 -7.854 1.721 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.811 -8.583 3.483 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.323 -8.818 2.061 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.637 -7.807 1.396 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.389 -10.004 1.671 1.00 0.00 O ATOM 0 H ASP A 86 -12.730 -7.619 5.508 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.800 -9.339 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.092 -9.437 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.318 -7.711 3.896 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.559 -6.405 2.229 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.245 -5.491 1.144 1.00 0.00 C ATOM 1327 C LYS A 87 -10.733 -5.256 1.103 1.00 0.00 C ATOM 1328 O LYS A 87 -10.065 -5.656 0.150 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.064 -4.206 1.272 1.00 0.00 C ATOM 1330 CG LYS A 87 -13.834 -3.916 -0.018 1.00 0.00 C ATOM 1331 CD LYS A 87 -14.634 -2.617 0.101 1.00 0.00 C ATOM 1332 CE LYS A 87 -15.511 -2.398 -1.133 1.00 0.00 C ATOM 1333 NZ LYS A 87 -15.754 -0.954 -1.347 1.00 0.00 N ATOM 0 H LYS A 87 -13.349 -6.123 2.809 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.527 -5.926 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.762 -4.297 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.403 -3.370 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.137 -3.843 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.508 -4.744 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.258 -2.651 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.952 -1.775 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.027 -2.825 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.461 -2.918 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.351 -0.823 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.236 -0.556 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.846 -0.466 -1.487 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.239 -4.608 2.147 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.819 -4.315 2.242 1.00 0.00 C ATOM 1349 C VAL A 88 -8.020 -5.497 1.688 1.00 0.00 C ATOM 1350 O VAL A 88 -7.029 -5.306 0.984 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.451 -3.970 3.686 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.108 -4.593 4.074 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.435 -2.455 3.901 1.00 0.00 C ATOM 0 H VAL A 88 -10.796 -4.277 2.935 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.569 -3.442 1.639 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.217 -4.393 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.870 -4.332 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.169 -5.677 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.327 -4.214 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.171 -2.237 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.701 -2.001 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.422 -2.046 3.685 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.481 -6.692 2.026 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.822 -7.904 1.571 1.00 0.00 C ATOM 1365 C GLU A 89 -8.550 -8.480 0.355 1.00 0.00 C ATOM 1366 O GLU A 89 -9.223 -9.505 0.457 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.735 -8.937 2.697 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.046 -10.215 2.217 1.00 0.00 C ATOM 1369 CD GLU A 89 -6.643 -11.098 3.400 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -6.110 -10.529 4.377 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.877 -12.322 3.300 1.00 0.00 O ATOM 0 H GLU A 89 -9.303 -6.847 2.610 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.804 -7.651 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.184 -8.517 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.736 -9.173 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.715 -10.768 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.163 -9.959 1.632 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.392 -7.795 -0.768 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.025 -8.225 -2.003 1.00 0.00 C ATOM 1380 C ASP A 90 -8.557 -7.329 -3.151 1.00 0.00 C ATOM 1381 O ASP A 90 -7.840 -7.780 -4.043 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.548 -8.115 -1.908 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.242 -9.300 -1.233 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.873 -10.444 -1.576 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.125 -9.035 -0.389 1.00 0.00 O ATOM 0 H ASP A 90 -7.834 -6.945 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.748 -9.264 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.798 -7.207 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.952 -8.002 -2.914 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.981 -6.075 -3.091 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.614 -5.111 -4.115 1.00 0.00 C ATOM 1392 C GLU A 91 -7.092 -5.002 -4.220 1.00 0.00 C ATOM 1393 O GLU A 91 -6.551 -4.840 -5.313 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.243 -3.746 -3.832 1.00 0.00 C ATOM 1395 CG GLU A 91 -8.522 -3.036 -2.684 1.00 0.00 C ATOM 1396 CD GLU A 91 -8.914 -1.559 -2.621 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -8.303 -0.776 -3.381 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -9.816 -1.245 -1.814 1.00 0.00 O ATOM 0 H GLU A 91 -9.575 -5.704 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.000 -5.461 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.200 -3.129 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.296 -3.872 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.768 -3.522 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.444 -3.124 -2.817 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.443 -5.095 -3.068 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.993 -5.009 -3.017 1.00 0.00 C ATOM 1407 C PHE A 92 -4.353 -5.900 -4.084 1.00 0.00 C ATOM 1408 O PHE A 92 -3.296 -5.570 -4.620 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.565 -5.503 -1.634 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.762 -4.478 -0.829 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.726 -3.817 -1.411 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.084 -4.229 0.468 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -1.981 -2.867 -0.664 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.339 -3.279 1.215 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.303 -2.618 0.633 1.00 0.00 C ATOM 0 H PHE A 92 -6.895 -5.229 -2.163 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.674 -3.983 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.454 -5.780 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.967 -6.407 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.470 -4.015 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.907 -4.754 0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.158 -2.342 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.595 -3.081 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.736 -1.895 1.201 1.00 0.00 H new ATOM 1425 N THR A 93 -5.020 -7.011 -4.360 1.00 0.00 N ATOM 1426 CA THR A 93 -4.530 -7.951 -5.353 1.00 0.00 C ATOM 1427 C THR A 93 -4.982 -7.532 -6.753 1.00 0.00 C ATOM 1428 O THR A 93 -4.192 -7.553 -7.696 1.00 0.00 O ATOM 1429 CB THR A 93 -5.004 -9.350 -4.955 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.918 -9.884 -4.202 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.124 -10.291 -6.155 1.00 0.00 C ATOM 0 H THR A 93 -5.896 -7.281 -3.913 1.00 0.00 H new ATOM 0 HA THR A 93 -3.441 -7.959 -5.386 1.00 0.00 H new ATOM 0 HB THR A 93 -5.969 -9.277 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.096 -9.833 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.464 -11.270 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.842 -9.883 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.152 -10.391 -6.638 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.250 -7.161 -6.845 1.00 0.00 N ATOM 1440 CA LYS A 94 -6.817 -6.738 -8.114 1.00 0.00 C ATOM 1441 C LYS A 94 -6.152 -5.432 -8.554 1.00 0.00 C ATOM 1442 O LYS A 94 -6.137 -5.099 -9.737 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.341 -6.650 -8.017 1.00 0.00 C ATOM 1444 CG LYS A 94 -8.899 -7.756 -7.119 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.230 -8.283 -7.659 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.111 -9.752 -8.071 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.229 -10.131 -8.963 1.00 0.00 N ATOM 0 H LYS A 94 -6.902 -7.144 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.612 -7.477 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.628 -5.676 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.777 -6.730 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.180 -8.573 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.039 -7.373 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.003 -8.176 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.541 -7.685 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.161 -9.918 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.114 -10.386 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.134 -11.131 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.132 -9.991 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.208 -9.538 -9.817 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.611 -4.715 -7.568 1.00 0.00 N ATOM 1462 CA HIS A 95 -4.934 -3.443 -7.794 1.00 0.00 C ATOM 1463 C HIS A 95 -3.615 -3.682 -8.552 1.00 0.00 C ATOM 1464 O HIS A 95 -3.378 -3.131 -9.624 1.00 0.00 O ATOM 1465 CB HIS A 95 -4.767 -2.723 -6.448 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.532 -1.231 -6.499 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.883 -0.484 -7.550 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -3.968 -0.370 -5.589 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.549 0.793 -7.304 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -3.981 0.919 -6.106 1.00 0.00 N ATOM 0 H HIS A 95 -5.631 -5.003 -6.590 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.525 -2.784 -8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.661 -2.906 -5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.931 -3.181 -5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.331 -0.827 -8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.576 -0.651 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.719 1.611 -7.988 1.00 0.00 H new ATOM 1478 N CYS A 96 -2.762 -4.524 -7.963 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.480 -4.854 -8.550 1.00 0.00 C ATOM 1480 C CYS A 96 -1.695 -5.540 -9.892 1.00 0.00 C ATOM 1481 O CYS A 96 -0.848 -5.396 -10.772 1.00 0.00 O ATOM 1482 CB CYS A 96 -0.702 -5.758 -7.597 1.00 0.00 C ATOM 1483 SG CYS A 96 0.061 -4.732 -6.316 1.00 0.00 S ATOM 0 H CYS A 96 -2.947 -4.988 -7.074 1.00 0.00 H new ATOM 0 HA CYS A 96 -0.903 -3.944 -8.715 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.368 -6.493 -7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.062 -6.313 -8.142 1.00 0.00 H new ATOM 1488 N ASN A 97 -2.800 -6.260 -10.024 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.097 -6.953 -11.265 1.00 0.00 C ATOM 1490 C ASN A 97 -3.605 -5.946 -12.298 1.00 0.00 C ATOM 1491 O ASN A 97 -3.629 -6.236 -13.494 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.185 -8.009 -11.059 1.00 0.00 C ATOM 1493 CG ASN A 97 -3.578 -9.411 -10.965 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -2.608 -9.741 -11.628 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.201 -10.213 -10.107 1.00 0.00 N ATOM 0 H ASN A 97 -3.500 -6.378 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.183 -7.439 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.743 -7.789 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.895 -7.971 -11.885 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.872 -11.169 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.008 -9.872 -9.584 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.000 -4.784 -11.800 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.507 -3.732 -12.665 1.00 0.00 C ATOM 1504 C ASP A 98 -3.616 -2.495 -12.531 1.00 0.00 C ATOM 1505 O ASP A 98 -4.004 -1.400 -12.935 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.931 -3.334 -12.272 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.039 -4.124 -12.971 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.358 -3.757 -14.122 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.542 -5.077 -12.337 1.00 0.00 O ATOM 0 H ASP A 98 -3.979 -4.547 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.507 -4.107 -13.688 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.042 -3.457 -11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.069 -2.275 -12.488 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.439 -2.711 -11.964 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.490 -1.627 -11.772 1.00 0.00 C ATOM 1516 C ILE A 99 -0.112 -2.068 -12.268 1.00 0.00 C ATOM 1517 O ILE A 99 0.571 -1.317 -12.963 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.498 -1.159 -10.315 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.861 -0.576 -9.934 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.359 -0.174 -10.050 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.982 0.879 -10.393 1.00 0.00 C ATOM 0 H ILE A 99 -2.120 -3.621 -11.631 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.780 -0.758 -12.363 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.329 -2.026 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.654 -1.171 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.996 -0.633 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.387 0.143 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.596 -0.658 -10.256 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.472 0.696 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.959 1.270 -10.110 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.202 1.476 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.871 0.929 -11.476 1.00 0.00 H new ATOM 1533 N LEU A 100 0.256 -3.284 -11.892 1.00 0.00 N ATOM 1534 CA LEU A 100 1.541 -3.833 -12.291 1.00 0.00 C ATOM 1535 C LEU A 100 1.330 -4.849 -13.415 1.00 0.00 C ATOM 1536 O LEU A 100 2.142 -4.940 -14.335 1.00 0.00 O ATOM 1537 CB LEU A 100 2.279 -4.404 -11.078 1.00 0.00 C ATOM 1538 CG LEU A 100 2.793 -3.380 -10.063 1.00 0.00 C ATOM 1539 CD1 LEU A 100 2.416 -3.786 -8.637 1.00 0.00 C ATOM 1540 CD2 LEU A 100 4.299 -3.163 -10.218 1.00 0.00 C ATOM 0 H LEU A 100 -0.313 -3.904 -11.316 1.00 0.00 H new ATOM 0 HA LEU A 100 2.184 -3.047 -12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.611 -5.093 -10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.126 -4.989 -11.435 1.00 0.00 H new ATOM 0 HG LEU A 100 2.308 -2.425 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.793 -3.042 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.331 -3.849 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.855 -4.757 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.638 -2.431 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.821 -4.106 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.512 -2.797 -11.222 1.00 0.00 H new ATOM 1552 N GLY A 101 0.235 -5.586 -13.305 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.094 -6.592 -14.302 1.00 0.00 C ATOM 1554 C GLY A 101 0.036 -8.002 -13.721 1.00 0.00 C ATOM 1555 O GLY A 101 0.135 -8.976 -14.465 1.00 0.00 O ATOM 0 H GLY A 101 -0.436 -5.507 -12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.111 -6.435 -14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.567 -6.487 -15.162 1.00 0.00 H new ATOM 1559 N ALA A 102 0.031 -8.065 -12.398 1.00 0.00 N ATOM 1560 CA ALA A 102 0.147 -9.339 -11.709 1.00 0.00 C ATOM 1561 C ALA A 102 -0.285 -9.167 -10.252 1.00 0.00 C ATOM 1562 O ALA A 102 -0.717 -8.087 -9.852 1.00 0.00 O ATOM 1563 CB ALA A 102 1.580 -9.859 -11.835 1.00 0.00 C ATOM 0 H ALA A 102 -0.052 -7.254 -11.785 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.510 -10.081 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.667 -10.815 -11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.827 -9.992 -12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.268 -9.141 -11.389 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.154 -10.248 -9.497 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.526 -10.231 -8.093 1.00 0.00 C ATOM 1571 C ASP A 103 0.724 -9.996 -7.242 1.00 0.00 C ATOM 1572 O ASP A 103 1.594 -10.853 -7.111 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.142 -11.566 -7.669 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.360 -11.453 -6.750 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.386 -10.486 -5.958 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.237 -12.337 -6.860 1.00 0.00 O ATOM 0 H ASP A 103 0.205 -11.142 -9.832 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.256 -9.435 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.431 -12.116 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.378 -12.157 -7.164 1.00 0.00 H new ATOM 1581 N CYS A 104 0.792 -8.797 -6.659 1.00 0.00 N ATOM 1582 CA CYS A 104 1.908 -8.413 -5.818 1.00 0.00 C ATOM 1583 C CYS A 104 2.269 -9.565 -4.892 1.00 0.00 C ATOM 1584 O CYS A 104 1.468 -10.488 -4.756 1.00 0.00 O ATOM 1585 CB CYS A 104 1.537 -7.169 -5.016 1.00 0.00 C ATOM 1586 SG CYS A 104 1.880 -5.704 -6.024 1.00 0.00 S ATOM 0 H CYS A 104 0.077 -8.076 -6.760 1.00 0.00 H new ATOM 0 HA CYS A 104 2.775 -8.182 -6.437 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.483 -7.199 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.109 -7.132 -4.089 1.00 0.00 H new ATOM 1591 N SER A 105 3.444 -9.496 -4.284 1.00 0.00 N ATOM 1592 CA SER A 105 3.882 -10.546 -3.379 1.00 0.00 C ATOM 1593 C SER A 105 3.307 -10.306 -1.982 1.00 0.00 C ATOM 1594 O SER A 105 3.015 -9.182 -1.580 1.00 0.00 O ATOM 1595 CB SER A 105 5.409 -10.620 -3.320 1.00 0.00 C ATOM 1596 OG SER A 105 5.954 -9.677 -2.401 1.00 0.00 O ATOM 0 H SER A 105 4.107 -8.729 -4.400 1.00 0.00 H new ATOM 0 HA SER A 105 3.514 -11.500 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.712 -11.626 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.819 -10.437 -4.313 1.00 0.00 H new ATOM 0 HG SER A 105 6.541 -10.140 -1.767 1.00 0.00 H new ATOM 1602 N PRO A 106 3.150 -11.405 -1.240 1.00 0.00 N ATOM 1603 CA PRO A 106 2.626 -11.411 0.108 1.00 0.00 C ATOM 1604 C PRO A 106 3.634 -10.769 1.051 1.00 0.00 C ATOM 1605 O PRO A 106 3.297 -10.535 2.210 1.00 0.00 O ATOM 1606 CB PRO A 106 2.426 -12.888 0.444 1.00 0.00 C ATOM 1607 CG PRO A 106 3.359 -13.612 -0.432 1.00 0.00 C ATOM 1608 CD PRO A 106 3.483 -12.743 -1.681 1.00 0.00 C ATOM 0 HA PRO A 106 1.697 -10.849 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.639 -13.085 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.396 -13.197 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.327 -13.750 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.981 -14.604 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.492 -12.784 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.806 -13.080 -2.466 1.00 0.00 H new ATOM 1616 N SER A 107 4.830 -10.503 0.548 1.00 0.00 N ATOM 1617 CA SER A 107 5.866 -9.892 1.364 1.00 0.00 C ATOM 1618 C SER A 107 5.837 -8.371 1.194 1.00 0.00 C ATOM 1619 O SER A 107 5.889 -7.632 2.176 1.00 0.00 O ATOM 1620 CB SER A 107 7.247 -10.440 1.003 1.00 0.00 C ATOM 1621 OG SER A 107 7.700 -9.957 -0.259 1.00 0.00 O ATOM 0 H SER A 107 5.105 -10.699 -0.414 1.00 0.00 H new ATOM 0 HA SER A 107 5.669 -10.139 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.962 -10.159 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.211 -11.529 0.983 1.00 0.00 H new ATOM 0 HG SER A 107 8.586 -10.329 -0.453 1.00 0.00 H new ATOM 1627 N GLU A 108 5.753 -7.950 -0.059 1.00 0.00 N ATOM 1628 CA GLU A 108 5.717 -6.531 -0.370 1.00 0.00 C ATOM 1629 C GLU A 108 4.444 -5.896 0.194 1.00 0.00 C ATOM 1630 O GLU A 108 4.377 -4.680 0.366 1.00 0.00 O ATOM 1631 CB GLU A 108 5.824 -6.298 -1.879 1.00 0.00 C ATOM 1632 CG GLU A 108 4.643 -6.932 -2.617 1.00 0.00 C ATOM 1633 CD GLU A 108 3.337 -6.207 -2.287 1.00 0.00 C ATOM 1634 OE1 GLU A 108 3.340 -4.961 -2.378 1.00 0.00 O ATOM 1635 OE2 GLU A 108 2.364 -6.917 -1.950 1.00 0.00 O ATOM 0 H GLU A 108 5.709 -8.566 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 108 6.577 -6.054 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.853 -5.228 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.758 -6.720 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.821 -6.898 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.559 -7.983 -2.341 1.00 0.00 H new ATOM 1642 N LYS A 109 3.467 -6.748 0.466 1.00 0.00 N ATOM 1643 CA LYS A 109 2.200 -6.286 1.007 1.00 0.00 C ATOM 1644 C LYS A 109 2.377 -5.948 2.489 1.00 0.00 C ATOM 1645 O LYS A 109 2.208 -4.798 2.891 1.00 0.00 O ATOM 1646 CB LYS A 109 1.096 -7.310 0.738 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.287 -6.697 0.962 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.887 -6.200 -0.355 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.338 -7.372 -1.229 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.368 -8.173 -0.531 1.00 0.00 N ATOM 0 H LYS A 109 3.527 -7.756 0.322 1.00 0.00 H new ATOM 0 HA LYS A 109 1.883 -5.372 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.175 -7.674 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.226 -8.171 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.949 -7.438 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.212 -5.869 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.736 -5.548 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.150 -5.604 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.737 -6.998 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.482 -8.002 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.808 -8.834 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.926 -8.709 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.096 -7.540 -0.142 1.00 0.00 H new ATOM 1664 N ALA A 110 2.714 -6.971 3.260 1.00 0.00 N ATOM 1665 CA ALA A 110 2.916 -6.797 4.689 1.00 0.00 C ATOM 1666 C ALA A 110 3.884 -5.635 4.925 1.00 0.00 C ATOM 1667 O ALA A 110 3.849 -4.998 5.977 1.00 0.00 O ATOM 1668 CB ALA A 110 3.418 -8.107 5.297 1.00 0.00 C ATOM 0 H ALA A 110 2.852 -7.924 2.923 1.00 0.00 H new ATOM 0 HA ALA A 110 1.976 -6.548 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.569 -7.976 6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.681 -8.892 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.362 -8.387 4.829 1.00 0.00 H new ATOM 1674 N ASN A 111 4.725 -5.396 3.930 1.00 0.00 N ATOM 1675 CA ASN A 111 5.700 -4.323 4.016 1.00 0.00 C ATOM 1676 C ASN A 111 4.984 -2.977 3.892 1.00 0.00 C ATOM 1677 O ASN A 111 4.983 -2.181 4.831 1.00 0.00 O ATOM 1678 CB ASN A 111 6.726 -4.418 2.885 1.00 0.00 C ATOM 1679 CG ASN A 111 7.661 -3.207 2.888 1.00 0.00 C ATOM 1680 OD1 ASN A 111 7.969 -2.625 1.861 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.094 -2.862 4.097 1.00 0.00 N ATOM 0 H ASN A 111 4.751 -5.927 3.060 1.00 0.00 H new ATOM 0 HA ASN A 111 6.211 -4.409 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.309 -5.332 2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.211 -4.481 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.723 -2.067 4.206 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.797 -3.393 4.916 1.00 0.00 H new ATOM 1688 N PHE A 112 4.391 -2.762 2.727 1.00 0.00 N ATOM 1689 CA PHE A 112 3.673 -1.526 2.468 1.00 0.00 C ATOM 1690 C PHE A 112 2.806 -1.135 3.667 1.00 0.00 C ATOM 1691 O PHE A 112 2.799 0.023 4.080 1.00 0.00 O ATOM 1692 CB PHE A 112 2.768 -1.779 1.260 1.00 0.00 C ATOM 1693 CG PHE A 112 1.924 -0.570 0.852 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.500 0.470 0.193 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.597 -0.537 1.148 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.716 1.592 -0.186 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.187 0.585 0.769 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.389 1.626 0.109 1.00 0.00 C ATOM 0 H PHE A 112 4.393 -3.424 1.951 1.00 0.00 H new ATOM 0 HA PHE A 112 4.379 -0.716 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.385 -2.081 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.104 -2.614 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.554 0.443 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.140 -1.364 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.174 2.419 -0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.241 0.612 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.207 2.479 -0.180 1.00 0.00 H new ATOM 1708 N ILE A 113 2.096 -2.123 4.191 1.00 0.00 N ATOM 1709 CA ILE A 113 1.228 -1.897 5.334 1.00 0.00 C ATOM 1710 C ILE A 113 2.044 -1.287 6.475 1.00 0.00 C ATOM 1711 O ILE A 113 1.583 -0.368 7.150 1.00 0.00 O ATOM 1712 CB ILE A 113 0.501 -3.187 5.718 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.705 -3.428 4.808 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.110 -3.176 7.197 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.640 -4.817 4.169 1.00 0.00 C ATOM 0 H ILE A 113 2.104 -3.082 3.845 1.00 0.00 H new ATOM 0 HA ILE A 113 0.446 -1.181 5.083 1.00 0.00 H new ATOM 0 HB ILE A 113 1.186 -4.022 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.625 -3.331 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.735 -2.666 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.405 -4.104 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.007 -3.085 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.551 -2.331 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.509 -4.963 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.269 -4.902 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.634 -5.577 4.950 1.00 0.00 H new ATOM 1727 N ALA A 114 3.242 -1.824 6.656 1.00 0.00 N ATOM 1728 CA ALA A 114 4.126 -1.344 7.705 1.00 0.00 C ATOM 1729 C ALA A 114 4.431 0.137 7.471 1.00 0.00 C ATOM 1730 O ALA A 114 3.936 1.023 8.164 1.00 0.00 O ATOM 1731 CB ALA A 114 5.392 -2.201 7.737 1.00 0.00 C ATOM 0 H ALA A 114 3.621 -2.586 6.094 1.00 0.00 H new ATOM 0 HA ALA A 114 3.647 -1.432 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.055 -1.841 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.124 -3.239 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.901 -2.135 6.775 1.00 0.00 H new ATOM 1737 N TYR A 115 5.269 0.389 6.463 1.00 0.00 N ATOM 1738 CA TYR A 115 5.659 1.740 6.114 1.00 0.00 C ATOM 1739 C TYR A 115 4.461 2.670 6.232 1.00 0.00 C ATOM 1740 O TYR A 115 4.652 3.853 6.509 1.00 0.00 O ATOM 1741 CB TYR A 115 6.219 1.755 4.694 1.00 0.00 C ATOM 1742 CG TYR A 115 7.608 2.338 4.600 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.788 3.727 4.626 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.717 1.491 4.488 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.076 4.267 4.540 1.00 0.00 C ATOM 1746 CE2 TYR A 115 10.005 2.032 4.401 1.00 0.00 C ATOM 1747 CZ TYR A 115 10.185 3.420 4.427 1.00 0.00 C ATOM 1748 OH TYR A 115 11.441 3.947 4.343 1.00 0.00 O ATOM 0 H TYR A 115 5.687 -0.334 5.877 1.00 0.00 H new ATOM 0 HA TYR A 115 6.432 2.089 6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.234 0.736 4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.549 2.329 4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.933 4.381 4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.579 0.420 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.215 5.338 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.860 1.378 4.314 1.00 0.00 H new ATOM 0 HH TYR A 115 12.014 3.538 5.025 1.00 0.00 H new ATOM 1758 N LEU A 116 3.268 2.131 6.023 1.00 0.00 N ATOM 1759 CA LEU A 116 2.059 2.932 6.112 1.00 0.00 C ATOM 1760 C LEU A 116 1.725 3.183 7.583 1.00 0.00 C ATOM 1761 O LEU A 116 1.516 4.325 7.990 1.00 0.00 O ATOM 1762 CB LEU A 116 0.922 2.274 5.327 1.00 0.00 C ATOM 1763 CG LEU A 116 0.960 2.461 3.809 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.352 2.003 3.168 1.00 0.00 C ATOM 1765 CD2 LEU A 116 1.304 3.906 3.442 1.00 0.00 C ATOM 0 H LEU A 116 3.113 1.150 5.792 1.00 0.00 H new ATOM 0 HA LEU A 116 2.213 3.907 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.929 1.205 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.024 2.667 5.698 1.00 0.00 H new ATOM 0 HG LEU A 116 1.753 1.830 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.299 2.146 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.515 0.948 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.178 2.588 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.324 4.011 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.551 4.576 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.282 4.162 3.850 1.00 0.00 H new ATOM 1777 N LEU A 117 1.686 2.098 8.342 1.00 0.00 N ATOM 1778 CA LEU A 117 1.381 2.186 9.760 1.00 0.00 C ATOM 1779 C LEU A 117 2.491 2.966 10.468 1.00 0.00 C ATOM 1780 O LEU A 117 2.290 3.479 11.568 1.00 0.00 O ATOM 1781 CB LEU A 117 1.140 0.793 10.344 1.00 0.00 C ATOM 1782 CG LEU A 117 0.037 -0.032 9.678 1.00 0.00 C ATOM 1783 CD1 LEU A 117 0.270 -1.530 9.887 1.00 0.00 C ATOM 1784 CD2 LEU A 117 -1.345 0.407 10.164 1.00 0.00 C ATOM 0 H LEU A 117 1.861 1.153 8.002 1.00 0.00 H new ATOM 0 HA LEU A 117 0.453 2.737 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.072 0.231 10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.897 0.901 11.401 1.00 0.00 H new ATOM 0 HG LEU A 117 0.074 0.152 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.528 -2.093 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.229 -1.813 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.276 -1.752 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.111 -0.195 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.411 0.272 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.500 1.458 9.920 1.00 0.00 H new ATOM 1796 N THR A 118 3.638 3.031 9.809 1.00 0.00 N ATOM 1797 CA THR A 118 4.780 3.740 10.361 1.00 0.00 C ATOM 1798 C THR A 118 4.705 5.227 10.011 1.00 0.00 C ATOM 1799 O THR A 118 5.225 6.068 10.743 1.00 0.00 O ATOM 1800 CB THR A 118 6.051 3.059 9.850 1.00 0.00 C ATOM 1801 OG1 THR A 118 6.465 2.236 10.937 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.209 4.043 9.666 1.00 0.00 C ATOM 0 H THR A 118 3.801 2.604 8.897 1.00 0.00 H new ATOM 0 HA THR A 118 4.785 3.695 11.450 1.00 0.00 H new ATOM 0 HB THR A 118 5.841 2.564 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 118 7.285 2.601 11.330 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.086 3.508 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.925 4.808 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.442 4.514 10.621 1.00 0.00 H new ATOM 1810 N GLU A 119 4.052 5.507 8.892 1.00 0.00 N ATOM 1811 CA GLU A 119 3.902 6.878 8.437 1.00 0.00 C ATOM 1812 C GLU A 119 2.686 7.528 9.100 1.00 0.00 C ATOM 1813 O GLU A 119 1.554 7.329 8.661 1.00 0.00 O ATOM 1814 CB GLU A 119 3.793 6.940 6.912 1.00 0.00 C ATOM 1815 CG GLU A 119 5.110 6.530 6.251 1.00 0.00 C ATOM 1816 CD GLU A 119 5.925 7.759 5.843 1.00 0.00 C ATOM 1817 OE1 GLU A 119 5.286 8.760 5.454 1.00 0.00 O ATOM 1818 OE2 GLU A 119 7.169 7.670 5.930 1.00 0.00 O ATOM 0 H GLU A 119 3.621 4.807 8.288 1.00 0.00 H new ATOM 0 HA GLU A 119 4.792 7.436 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.992 6.282 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.527 7.951 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.691 5.916 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.905 5.917 5.373 1.00 0.00 H new ATOM 1825 N THR A 120 2.961 8.291 10.148 1.00 0.00 N ATOM 1826 CA THR A 120 1.903 8.971 10.876 1.00 0.00 C ATOM 1827 C THR A 120 2.156 10.480 10.898 1.00 0.00 C ATOM 1828 O THR A 120 1.426 11.226 11.549 1.00 0.00 O ATOM 1829 CB THR A 120 1.815 8.350 12.271 1.00 0.00 C ATOM 1830 OG1 THR A 120 2.947 8.876 12.958 1.00 0.00 O ATOM 1831 CG2 THR A 120 2.057 6.839 12.255 1.00 0.00 C ATOM 0 H THR A 120 3.901 8.453 10.510 1.00 0.00 H new ATOM 0 HA THR A 120 0.938 8.842 10.385 1.00 0.00 H new ATOM 0 HB THR A 120 0.834 8.556 12.699 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.966 8.525 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.983 6.448 13.270 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.309 6.357 11.625 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.051 6.634 11.858 1.00 0.00 H new ATOM 1839 N LYS A 121 3.192 10.885 10.177 1.00 0.00 N ATOM 1840 CA LYS A 121 3.549 12.291 10.106 1.00 0.00 C ATOM 1841 C LYS A 121 3.763 12.685 8.643 1.00 0.00 C ATOM 1842 O LYS A 121 4.828 12.487 8.063 1.00 0.00 O ATOM 1843 CB LYS A 121 4.753 12.584 11.004 1.00 0.00 C ATOM 1844 CG LYS A 121 4.474 12.167 12.449 1.00 0.00 C ATOM 1845 CD LYS A 121 5.773 12.061 13.250 1.00 0.00 C ATOM 1846 CE LYS A 121 5.721 12.946 14.498 1.00 0.00 C ATOM 1847 NZ LYS A 121 6.826 12.604 15.421 1.00 0.00 N ATOM 0 H LYS A 121 3.795 10.264 9.637 1.00 0.00 H new ATOM 0 HA LYS A 121 2.737 12.910 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.628 12.052 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.988 13.648 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.811 12.893 12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.956 11.208 12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.941 11.024 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.615 12.357 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.791 13.995 14.210 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.764 12.817 15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.777 13.213 16.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.742 11.608 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.737 12.750 14.941 1.00 0.00 H new ATOM 1861 N PRO A 122 2.711 13.256 8.053 1.00 0.00 N ATOM 1862 CA PRO A 122 2.692 13.707 6.678 1.00 0.00 C ATOM 1863 C PRO A 122 3.945 14.521 6.391 1.00 0.00 C ATOM 1864 O PRO A 122 4.720 14.765 7.314 1.00 0.00 O ATOM 1865 CB PRO A 122 1.439 14.573 6.568 1.00 0.00 C ATOM 1866 CG PRO A 122 0.536 14.054 7.608 1.00 0.00 C ATOM 1867 CD PRO A 122 1.443 13.504 8.705 1.00 0.00 C ATOM 0 HA PRO A 122 2.675 12.886 5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.669 15.626 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.989 14.496 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -0.111 14.842 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -0.113 13.275 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.552 14.218 9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.034 12.589 9.134 1.00 0.00 H new ATOM 1875 N THR A 123 4.121 14.919 5.139 1.00 0.00 N ATOM 1876 CA THR A 123 5.285 15.701 4.759 1.00 0.00 C ATOM 1877 C THR A 123 4.890 16.800 3.770 1.00 0.00 C ATOM 1878 O THR A 123 5.527 16.962 2.731 1.00 0.00 O ATOM 1879 CB THR A 123 6.340 14.739 4.209 1.00 0.00 C ATOM 1880 OG1 THR A 123 5.623 13.929 3.282 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.836 13.748 5.264 1.00 0.00 C ATOM 0 H THR A 123 3.477 14.714 4.375 1.00 0.00 H new ATOM 0 HA THR A 123 5.712 16.219 5.618 1.00 0.00 H new ATOM 0 HB THR A 123 7.184 15.310 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 123 6.233 13.277 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 123 7.583 13.089 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 123 7.281 14.294 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.998 13.154 5.628 1.00 0.00 H new ATOM 1889 N LYS A 124 3.842 17.526 4.130 1.00 0.00 N ATOM 1890 CA LYS A 124 3.355 18.605 3.288 1.00 0.00 C ATOM 1891 C LYS A 124 2.786 18.019 1.994 1.00 0.00 C ATOM 1892 O LYS A 124 2.997 18.568 0.914 1.00 0.00 O ATOM 1893 CB LYS A 124 4.454 19.645 3.060 1.00 0.00 C ATOM 1894 CG LYS A 124 4.850 20.321 4.374 1.00 0.00 C ATOM 1895 CD LYS A 124 5.488 21.688 4.118 1.00 0.00 C ATOM 1896 CE LYS A 124 4.556 22.819 4.557 1.00 0.00 C ATOM 1897 NZ LYS A 124 3.475 23.014 3.566 1.00 0.00 N ATOM 1898 OXT LYS A 124 2.108 16.973 2.095 1.00 0.00 O ATOM 0 H LYS A 124 3.317 17.388 4.993 1.00 0.00 H new ATOM 0 HA LYS A 124 2.542 19.137 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.327 19.166 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.107 20.396 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 124 3.970 20.439 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.549 19.686 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.432 21.760 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 124 5.719 21.793 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 124 4.126 22.587 5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.124 23.742 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 2.852 23.785 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 3.889 23.257 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 2.923 22.137 3.477 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.358 2.599 -5.330 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.192 2.601 -3.352 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.692 0.788 -2.916 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.545 2.440 -7.352 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.005 4.510 -7.673 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.840 1.871 -3.507 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.068 1.938 -2.871 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.024 1.217 -1.621 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.778 0.713 -1.497 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.037 1.117 -2.669 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.223 -0.115 -0.374 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.175 1.079 -0.668 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.061 -0.135 -0.935 1.00 0.00 C HETATM 1926 CGA HEC A 125 -7.000 -1.123 0.221 1.00 0.00 C HETATM 1927 O1A HEC A 125 -6.806 -2.323 -0.068 1.00 0.00 O HETATM 1928 O2A HEC A 125 -7.149 -0.659 1.372 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.477 1.843 -5.136 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.033 1.015 -4.119 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.227 0.410 -4.481 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.548 0.865 -5.710 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.510 1.758 -6.122 1.00 0.00 C HETATM 1934 CMB HEC A 125 1.001 -0.544 -3.618 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.761 0.535 -6.531 1.00 0.00 C HETATM 1936 CBB HEC A 125 2.069 -0.957 -6.611 1.00 0.00 C HETATM 1937 NC HEC A 125 -2.913 3.271 -7.202 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.651 3.302 -7.771 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.611 4.266 -8.845 1.00 0.00 C HETATM 1940 C3C HEC A 125 -2.839 4.819 -8.930 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.653 4.202 -7.909 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.403 4.566 -9.685 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.314 5.874 -9.885 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.344 5.424 -11.343 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.201 3.409 -5.474 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.713 4.133 -6.536 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.102 4.451 -6.303 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.434 3.923 -5.106 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.254 3.274 -4.586 1.00 0.00 C HETATM 1950 CMD HEC A 125 -7.976 5.226 -7.245 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.763 3.976 -4.409 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.052 5.308 -3.724 1.00 0.00 C HETATM 1953 CGD HEC A 125 -8.367 5.387 -2.367 1.00 0.00 C HETATM 1954 O1D HEC A 125 -7.554 6.320 -2.195 1.00 0.00 O HETATM 1955 O2D HEC A 125 -8.670 4.512 -1.527 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.554 6.219 -7.400 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.035 4.704 -8.200 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -8.976 5.319 -6.820 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.404 4.924 -9.046 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.084 3.660 -10.200 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.652 5.332 -10.420 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.261 -0.056 -2.679 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.393 -1.425 -3.413 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.912 -0.845 -4.135 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.284 0.448 0.558 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.800 -1.035 -0.281 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.182 -0.360 -0.583 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -8.709 6.127 -4.356 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -10.128 5.430 -3.599 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.340 5.136 -11.656 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.015 4.571 -11.447 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.698 6.243 -11.969 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.244 -1.347 -5.608 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.225 -1.479 -7.061 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.959 -1.113 -7.221 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.091 0.189 -1.087 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -6.743 -0.626 -1.854 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.551 3.774 -5.135 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -8.804 3.180 -3.665 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -5.786 1.015 0.348 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.786 1.980 -0.720 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.535 5.084 -8.433 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.299 2.320 -8.031 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.127 0.323 -2.108 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.087 2.599 -2.730 1.00 0.00 H new HETATM 0 H2D HEC A 125 -8.011 4.513 -0.801 1.00 0.00 H new HETATM 0 H2A HEC A 125 -8.096 -0.698 1.620 1.00 0.00 H new