USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 108:sc= 2.42 USER MOD Set 1.2: A 89 TYR OH : rot 84:sc= 0.898 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.392 K(o=-3,f=-11!) USER MOD Set 2.2: A 84 ASN : amide:sc= -3.43! C(o=-3!,f=-12!) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.108 K(o=1,f=-13!) USER MOD Set 3.2: A 59 TYR OH : rot -15:sc= -1.23 USER MOD Set 3.3: A 95 LYS NZ :NH3+ -176:sc= 2.34 (180deg=0.997) USER MOD Set 4.1: A 25 ASN : amide:sc= -1.02! C(o=-4.5!,f=-15!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -104:sc= 2.49 (180deg=-0.241) USER MOD Set 4.3: A 49 HIS : no HE2:sc= -6.03! C(o=-4.5!,f=-4.3!) USER MOD Set 5.1: A 35 GLN : amide:sc= 1.02 K(o=4.8,f=-11!) USER MOD Set 5.2: A 37 LYS NZ :NH3+ -178:sc= 2.97 (180deg=0.527) USER MOD Set 5.3: A 78 ASN : amide:sc= 0.84 K(o=4.8,f=-12!) USER MOD Set 6.1: A 18 SER OG : rot -126:sc= 1.19 USER MOD Set 6.2: A 27 TYR OH : rot -79:sc= 1.27 USER MOD Set 7.1: A 5 TYR OH : rot 151:sc= 0.569 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.03 K(o=2.7,f=1.3) USER MOD Set 7.3: A 12 CYS SG : rot 57:sc= 0.241 USER MOD Set 7.4: A 13 CYS SG : rot 23:sc= 0.902 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.583 K(o=0.58,f=-0.0053) USER MOD Single : A 7 GLN : amide:sc= -0.0787 X(o=-0.079,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -70:sc= 0.205 USER MOD Single : A 34 SER OG : rot 81:sc= 1.3 USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -0.144 (180deg=-2.36!) USER MOD Single : A 46 MET CE :methyl 176:sc=-0.00176 (180deg=-0.0615) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.717 (180deg=-1.42!) USER MOD Single : A 50 ASN : amide:sc= 0.0107 K(o=0.011,f=-0.69) USER MOD Single : A 66 SER OG : rot 180:sc= 0.129 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.825 (180deg=-0.00593) USER MOD Single : A 76 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 81 TYR OH : rot 65:sc= -0.0737 USER MOD Single : A 83 MET CE :methyl -164:sc= -0.016 (180deg=-0.276) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.202 K(o=0.2,f=-3.7!) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.968) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.126 -27.724 14.313 1.00 0.00 N ATOM 2 CA ALA A 1 4.660 -27.983 14.249 1.00 0.00 C ATOM 3 C ALA A 1 4.141 -27.897 12.812 1.00 0.00 C ATOM 4 O ALA A 1 3.540 -28.845 12.306 1.00 0.00 O ATOM 5 CB ALA A 1 3.909 -27.009 15.148 1.00 0.00 C ATOM 0 H1 ALA A 1 6.447 -27.789 15.300 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.629 -28.430 13.738 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.327 -26.772 13.946 1.00 0.00 H new ATOM 0 HA ALA A 1 4.483 -28.998 14.606 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.839 -27.211 15.090 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.246 -27.130 16.177 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.103 -25.988 14.820 1.00 0.00 H new ATOM 13 N LEU A 2 4.374 -26.755 12.158 1.00 0.00 N ATOM 14 CA LEU A 2 3.928 -26.550 10.781 1.00 0.00 C ATOM 15 C LEU A 2 4.987 -25.806 9.962 1.00 0.00 C ATOM 16 O LEU A 2 5.825 -25.093 10.520 1.00 0.00 O ATOM 17 CB LEU A 2 2.607 -25.773 10.762 1.00 0.00 C ATOM 18 CG LEU A 2 2.654 -24.389 11.420 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.181 -23.318 10.449 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.811 -24.371 12.685 1.00 0.00 C ATOM 0 H LEU A 2 4.869 -25.960 12.562 1.00 0.00 H new ATOM 0 HA LEU A 2 3.773 -27.529 10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.289 -25.655 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.845 -26.370 11.263 1.00 0.00 H new ATOM 0 HG LEU A 2 3.687 -24.174 11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.222 -22.343 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.826 -23.313 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.156 -23.529 10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.856 -23.381 13.138 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.777 -24.609 12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.195 -25.110 13.388 1.00 0.00 H new ATOM 32 N PRO A 3 4.961 -25.961 8.623 1.00 0.00 N ATOM 33 CA PRO A 3 5.917 -25.302 7.731 1.00 0.00 C ATOM 34 C PRO A 3 5.494 -23.875 7.368 1.00 0.00 C ATOM 35 O PRO A 3 4.460 -23.387 7.829 1.00 0.00 O ATOM 36 CB PRO A 3 5.904 -26.201 6.496 1.00 0.00 C ATOM 37 CG PRO A 3 4.527 -26.786 6.455 1.00 0.00 C ATOM 38 CD PRO A 3 3.997 -26.789 7.874 1.00 0.00 C ATOM 0 HA PRO A 3 6.900 -25.190 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.118 -25.632 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.662 -26.981 6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.879 -26.199 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.551 -27.798 6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.991 -26.372 7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.944 -27.800 8.277 1.00 0.00 H new ATOM 46 N LEU A 4 6.301 -23.213 6.537 1.00 0.00 N ATOM 47 CA LEU A 4 6.011 -21.844 6.107 1.00 0.00 C ATOM 48 C LEU A 4 4.750 -21.792 5.239 1.00 0.00 C ATOM 49 O LEU A 4 4.258 -22.826 4.781 1.00 0.00 O ATOM 50 CB LEU A 4 7.205 -21.255 5.342 1.00 0.00 C ATOM 51 CG LEU A 4 7.628 -22.029 4.088 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.303 -21.234 2.832 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.112 -22.358 4.140 1.00 0.00 C ATOM 0 H LEU A 4 7.160 -23.602 6.149 1.00 0.00 H new ATOM 0 HA LEU A 4 5.834 -21.245 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.961 -20.233 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.057 -21.200 6.019 1.00 0.00 H new ATOM 0 HG LEU A 4 7.068 -22.963 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.611 -21.800 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.230 -21.048 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.835 -20.283 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.395 -22.907 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.688 -21.434 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.319 -22.969 5.019 1.00 0.00 H new ATOM 65 N TYR A 5 4.232 -20.579 5.022 1.00 0.00 N ATOM 66 CA TYR A 5 3.025 -20.384 4.213 1.00 0.00 C ATOM 67 C TYR A 5 3.139 -21.086 2.858 1.00 0.00 C ATOM 68 O TYR A 5 3.910 -20.669 1.991 1.00 0.00 O ATOM 69 CB TYR A 5 2.756 -18.887 4.006 1.00 0.00 C ATOM 70 CG TYR A 5 1.320 -18.570 3.646 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.793 -18.942 2.415 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.492 -17.896 4.536 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.517 -18.653 2.082 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.819 -17.603 4.209 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.319 -17.984 2.981 1.00 0.00 C ATOM 76 OH TYR A 5 -2.624 -17.696 2.647 1.00 0.00 O ATOM 0 H TYR A 5 4.630 -19.717 5.395 1.00 0.00 H new ATOM 0 HA TYR A 5 2.190 -20.827 4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.020 -18.350 4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.410 -18.515 3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.418 -19.466 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.879 -17.596 5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.910 -18.950 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.449 -17.078 4.912 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.170 -17.664 3.460 1.00 0.00 H new ATOM 86 N ASN A 6 2.362 -22.154 2.688 1.00 0.00 N ATOM 87 CA ASN A 6 2.359 -22.925 1.446 1.00 0.00 C ATOM 88 C ASN A 6 0.929 -23.198 0.983 1.00 0.00 C ATOM 89 O ASN A 6 0.499 -22.700 -0.058 1.00 0.00 O ATOM 90 CB ASN A 6 3.114 -24.245 1.636 1.00 0.00 C ATOM 91 CG ASN A 6 4.593 -24.120 1.326 1.00 0.00 C ATOM 92 OD1 ASN A 6 5.016 -24.297 0.185 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.391 -23.817 2.342 1.00 0.00 N ATOM 0 H ASN A 6 1.722 -22.507 3.400 1.00 0.00 H new ATOM 0 HA ASN A 6 2.864 -22.338 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.989 -24.586 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.675 -25.007 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.395 -23.723 2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.000 -23.678 3.274 1.00 0.00 H new ATOM 100 N GLN A 7 0.193 -23.985 1.772 1.00 0.00 N ATOM 101 CA GLN A 7 -1.191 -24.321 1.452 1.00 0.00 C ATOM 102 C GLN A 7 -2.124 -23.889 2.583 1.00 0.00 C ATOM 103 O GLN A 7 -2.165 -24.518 3.642 1.00 0.00 O ATOM 104 CB GLN A 7 -1.332 -25.827 1.199 1.00 0.00 C ATOM 105 CG GLN A 7 -0.479 -26.337 0.045 1.00 0.00 C ATOM 106 CD GLN A 7 0.330 -27.568 0.412 1.00 0.00 C ATOM 107 OE1 GLN A 7 0.101 -28.652 -0.119 1.00 0.00 O ATOM 108 NE2 GLN A 7 1.282 -27.408 1.324 1.00 0.00 N ATOM 0 H GLN A 7 0.536 -24.401 2.638 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.472 -23.785 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.059 -26.366 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.378 -26.056 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.124 -26.571 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 7 0.198 -25.546 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.440 -26.491 1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.855 -28.203 1.608 1.00 0.00 H new ATOM 117 N GLN A 8 -2.865 -22.806 2.353 1.00 0.00 N ATOM 118 CA GLN A 8 -3.793 -22.283 3.354 1.00 0.00 C ATOM 119 C GLN A 8 -5.230 -22.290 2.829 1.00 0.00 C ATOM 120 O GLN A 8 -5.481 -21.927 1.678 1.00 0.00 O ATOM 121 CB GLN A 8 -3.389 -20.863 3.762 1.00 0.00 C ATOM 122 CG GLN A 8 -3.994 -20.410 5.083 1.00 0.00 C ATOM 123 CD GLN A 8 -4.648 -19.045 4.987 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.979 -18.018 5.099 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.958 -19.025 4.777 1.00 0.00 N ATOM 0 H GLN A 8 -2.841 -22.274 1.483 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.746 -22.932 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.303 -20.810 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.691 -20.169 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.734 -21.141 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.215 -20.383 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.474 -19.901 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.449 -18.134 4.702 1.00 0.00 H new ATOM 134 N VAL A 9 -6.169 -22.706 3.681 1.00 0.00 N ATOM 135 CA VAL A 9 -7.580 -22.761 3.307 1.00 0.00 C ATOM 136 C VAL A 9 -8.429 -21.909 4.252 1.00 0.00 C ATOM 137 O VAL A 9 -8.713 -22.312 5.381 1.00 0.00 O ATOM 138 CB VAL A 9 -8.113 -24.210 3.313 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.536 -24.263 2.774 1.00 0.00 C ATOM 140 CG2 VAL A 9 -7.201 -25.124 2.505 1.00 0.00 C ATOM 0 H VAL A 9 -5.976 -23.010 4.635 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.656 -22.364 2.295 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.124 -24.563 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.892 -25.293 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.184 -23.647 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.552 -23.887 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.596 -26.140 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.153 -24.771 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.201 -25.116 2.938 1.00 0.00 H new ATOM 150 N GLY A 10 -8.829 -20.727 3.781 1.00 0.00 N ATOM 151 CA GLY A 10 -9.641 -19.834 4.594 1.00 0.00 C ATOM 152 C GLY A 10 -10.038 -18.572 3.851 1.00 0.00 C ATOM 153 O GLY A 10 -10.400 -18.628 2.675 1.00 0.00 O ATOM 0 H GLY A 10 -8.605 -20.373 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.540 -20.359 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.088 -19.563 5.494 1.00 0.00 H new ATOM 157 N ASP A 11 -9.969 -17.433 4.537 1.00 0.00 N ATOM 158 CA ASP A 11 -10.324 -16.151 3.934 1.00 0.00 C ATOM 159 C ASP A 11 -9.227 -15.105 4.168 1.00 0.00 C ATOM 160 O ASP A 11 -9.515 -13.937 4.436 1.00 0.00 O ATOM 161 CB ASP A 11 -11.662 -15.655 4.496 1.00 0.00 C ATOM 162 CG ASP A 11 -12.605 -15.169 3.412 1.00 0.00 C ATOM 163 OD1 ASP A 11 -12.275 -14.166 2.742 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.672 -15.792 3.231 1.00 0.00 O ATOM 0 H ASP A 11 -9.671 -17.372 5.510 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.423 -16.298 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.139 -16.461 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.478 -14.845 5.202 1.00 0.00 H new ATOM 169 N CYS A 12 -7.967 -15.533 4.058 1.00 0.00 N ATOM 170 CA CYS A 12 -6.832 -14.634 4.252 1.00 0.00 C ATOM 171 C CYS A 12 -5.590 -15.140 3.519 1.00 0.00 C ATOM 172 O CYS A 12 -5.462 -16.335 3.239 1.00 0.00 O ATOM 173 CB CYS A 12 -6.530 -14.471 5.744 1.00 0.00 C ATOM 174 SG CYS A 12 -6.312 -16.028 6.636 1.00 0.00 S ATOM 0 H CYS A 12 -7.710 -16.495 3.836 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.101 -13.664 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.626 -13.872 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.342 -13.911 6.208 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.365 -16.720 6.076 1.00 0.00 H new ATOM 180 N CYS A 13 -4.679 -14.219 3.211 1.00 0.00 N ATOM 181 CA CYS A 13 -3.442 -14.558 2.509 1.00 0.00 C ATOM 182 C CYS A 13 -2.328 -13.565 2.847 1.00 0.00 C ATOM 183 O CYS A 13 -2.514 -12.665 3.670 1.00 0.00 O ATOM 184 CB CYS A 13 -3.689 -14.582 0.996 1.00 0.00 C ATOM 185 SG CYS A 13 -2.821 -15.907 0.122 1.00 0.00 S ATOM 0 H CYS A 13 -4.775 -13.229 3.437 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.123 -15.548 2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.759 -14.684 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.384 -13.624 0.575 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.549 -16.869 0.953 1.00 0.00 H new ATOM 191 N ILE A 14 -1.175 -13.722 2.195 1.00 0.00 N ATOM 192 CA ILE A 14 -0.046 -12.822 2.422 1.00 0.00 C ATOM 193 C ILE A 14 -0.064 -11.700 1.400 1.00 0.00 C ATOM 194 O ILE A 14 -0.042 -11.941 0.192 1.00 0.00 O ATOM 195 CB ILE A 14 1.331 -13.529 2.362 1.00 0.00 C ATOM 196 CG1 ILE A 14 1.196 -15.054 2.418 1.00 0.00 C ATOM 197 CG2 ILE A 14 2.221 -13.036 3.490 1.00 0.00 C ATOM 198 CD1 ILE A 14 1.172 -15.702 1.050 1.00 0.00 C ATOM 0 H ILE A 14 -1.000 -14.458 1.511 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.168 -12.434 3.433 1.00 0.00 H new ATOM 0 HB ILE A 14 1.789 -13.278 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.026 -15.465 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.281 -15.312 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.186 -13.539 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.367 -11.960 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.749 -13.254 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.075 -16.782 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.326 -15.318 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.098 -15.473 0.523 1.00 0.00 H new ATOM 210 N ILE A 15 -0.127 -10.476 1.898 1.00 0.00 N ATOM 211 CA ILE A 15 -0.178 -9.303 1.040 1.00 0.00 C ATOM 212 C ILE A 15 1.138 -8.539 1.029 1.00 0.00 C ATOM 213 O ILE A 15 1.566 -8.011 2.054 1.00 0.00 O ATOM 214 CB ILE A 15 -1.297 -8.353 1.494 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.668 -9.011 1.320 1.00 0.00 C ATOM 216 CG2 ILE A 15 -1.225 -7.044 0.726 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.793 -8.014 1.180 1.00 0.00 C ATOM 0 H ILE A 15 -0.144 -10.268 2.896 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.375 -9.664 0.030 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.158 -8.137 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.647 -9.652 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.866 -9.655 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.024 -6.382 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.261 -6.569 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.338 -7.241 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.737 -8.545 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.839 -7.390 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.616 -7.386 0.307 1.00 0.00 H new ATOM 229 N ARG A 16 1.747 -8.448 -0.147 1.00 0.00 N ATOM 230 CA ARG A 16 2.993 -7.711 -0.308 1.00 0.00 C ATOM 231 C ARG A 16 2.673 -6.277 -0.723 1.00 0.00 C ATOM 232 O ARG A 16 2.472 -5.989 -1.904 1.00 0.00 O ATOM 233 CB ARG A 16 3.891 -8.404 -1.338 1.00 0.00 C ATOM 234 CG ARG A 16 5.372 -8.099 -1.178 1.00 0.00 C ATOM 235 CD ARG A 16 6.227 -9.342 -1.379 1.00 0.00 C ATOM 236 NE ARG A 16 6.126 -9.866 -2.744 1.00 0.00 N ATOM 237 CZ ARG A 16 6.695 -9.301 -3.811 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.417 -8.194 -3.687 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.537 -9.845 -5.009 1.00 0.00 N ATOM 0 H ARG A 16 1.397 -8.876 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 16 3.536 -7.689 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.743 -9.482 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.576 -8.105 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.666 -7.335 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.554 -7.689 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.268 -9.105 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.918 -10.112 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 16 5.585 -10.719 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.542 -7.766 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.847 -7.771 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.981 -10.694 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.971 -9.415 -5.826 1.00 0.00 H new ATOM 253 N VAL A 17 2.590 -5.392 0.272 1.00 0.00 N ATOM 254 CA VAL A 17 2.254 -3.986 0.040 1.00 0.00 C ATOM 255 C VAL A 17 3.498 -3.141 -0.265 1.00 0.00 C ATOM 256 O VAL A 17 4.595 -3.438 0.212 1.00 0.00 O ATOM 257 CB VAL A 17 1.537 -3.368 1.268 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.420 -3.416 2.510 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.107 -1.936 0.981 1.00 0.00 C ATOM 0 H VAL A 17 2.752 -5.626 1.252 1.00 0.00 H new ATOM 0 HA VAL A 17 1.590 -3.973 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 17 0.647 -3.966 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.887 -2.975 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.668 -4.452 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.337 -2.855 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.606 -1.524 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.984 -1.333 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.422 -1.925 0.133 1.00 0.00 H new ATOM 269 N SER A 18 3.310 -2.072 -1.043 1.00 0.00 N ATOM 270 CA SER A 18 4.407 -1.166 -1.394 1.00 0.00 C ATOM 271 C SER A 18 3.921 0.277 -1.512 1.00 0.00 C ATOM 272 O SER A 18 3.019 0.577 -2.294 1.00 0.00 O ATOM 273 CB SER A 18 5.064 -1.589 -2.707 1.00 0.00 C ATOM 274 OG SER A 18 4.105 -1.720 -3.741 1.00 0.00 O ATOM 0 H SER A 18 2.408 -1.812 -1.442 1.00 0.00 H new ATOM 0 HA SER A 18 5.141 -1.223 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.815 -0.853 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.584 -2.537 -2.568 1.00 0.00 H new ATOM 0 HG SER A 18 4.177 -2.611 -4.143 1.00 0.00 H new ATOM 280 N LEU A 19 4.533 1.171 -0.740 1.00 0.00 N ATOM 281 CA LEU A 19 4.172 2.585 -0.770 1.00 0.00 C ATOM 282 C LEU A 19 4.976 3.318 -1.845 1.00 0.00 C ATOM 283 O LEU A 19 6.173 3.072 -2.008 1.00 0.00 O ATOM 284 CB LEU A 19 4.411 3.230 0.599 1.00 0.00 C ATOM 285 CG LEU A 19 3.154 3.760 1.288 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.923 3.048 2.613 1.00 0.00 C ATOM 287 CD2 LEU A 19 3.257 5.265 1.495 1.00 0.00 C ATOM 0 H LEU A 19 5.281 0.941 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 19 3.112 2.663 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.884 2.497 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.116 4.052 0.479 1.00 0.00 H new ATOM 0 HG LEU A 19 2.298 3.559 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.023 3.442 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.802 1.979 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.778 3.212 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.354 5.627 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.124 5.488 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.367 5.758 0.529 1.00 0.00 H new ATOM 299 N ASP A 20 4.314 4.210 -2.587 1.00 0.00 N ATOM 300 CA ASP A 20 4.985 4.959 -3.651 1.00 0.00 C ATOM 301 C ASP A 20 4.248 6.259 -3.994 1.00 0.00 C ATOM 302 O ASP A 20 3.706 6.410 -5.091 1.00 0.00 O ATOM 303 CB ASP A 20 5.113 4.079 -4.898 1.00 0.00 C ATOM 304 CG ASP A 20 5.995 4.696 -5.966 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.187 4.942 -5.685 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.491 4.931 -7.085 1.00 0.00 O ATOM 0 H ASP A 20 3.324 4.429 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 20 5.976 5.235 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.521 3.109 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.121 3.898 -5.312 1.00 0.00 H new ATOM 311 N VAL A 21 4.249 7.202 -3.052 1.00 0.00 N ATOM 312 CA VAL A 21 3.598 8.499 -3.256 1.00 0.00 C ATOM 313 C VAL A 21 4.320 9.599 -2.477 1.00 0.00 C ATOM 314 O VAL A 21 5.105 10.358 -3.048 1.00 0.00 O ATOM 315 CB VAL A 21 2.105 8.466 -2.853 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.461 9.833 -3.041 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.358 7.417 -3.656 1.00 0.00 C ATOM 0 H VAL A 21 4.693 7.094 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 21 3.655 8.718 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 21 2.047 8.202 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.411 9.784 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.975 10.566 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.535 10.129 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.310 7.409 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.432 7.651 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.796 6.436 -3.469 1.00 0.00 H new ATOM 327 N ASP A 22 4.060 9.671 -1.173 1.00 0.00 N ATOM 328 CA ASP A 22 4.692 10.666 -0.311 1.00 0.00 C ATOM 329 C ASP A 22 5.734 10.018 0.606 1.00 0.00 C ATOM 330 O ASP A 22 6.499 10.714 1.276 1.00 0.00 O ATOM 331 CB ASP A 22 3.632 11.391 0.526 1.00 0.00 C ATOM 332 CG ASP A 22 2.537 12.004 -0.325 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.803 13.027 -0.991 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.414 11.460 -0.326 1.00 0.00 O ATOM 0 H ASP A 22 3.413 9.049 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 22 5.201 11.390 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.188 10.689 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.111 12.174 1.114 1.00 0.00 H new ATOM 339 N ASN A 23 5.760 8.681 0.629 1.00 0.00 N ATOM 340 CA ASN A 23 6.703 7.937 1.459 1.00 0.00 C ATOM 341 C ASN A 23 7.280 6.752 0.683 1.00 0.00 C ATOM 342 O ASN A 23 6.714 5.655 0.688 1.00 0.00 O ATOM 343 CB ASN A 23 6.015 7.447 2.739 1.00 0.00 C ATOM 344 CG ASN A 23 5.097 8.492 3.354 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.884 8.474 3.137 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.669 9.414 4.123 1.00 0.00 N ATOM 0 H ASN A 23 5.134 8.093 0.078 1.00 0.00 H new ATOM 0 HA ASN A 23 7.521 8.603 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.438 6.550 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.774 7.163 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.100 10.140 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.677 9.395 4.278 1.00 0.00 H new ATOM 353 N GLY A 24 8.409 6.984 0.011 1.00 0.00 N ATOM 354 CA GLY A 24 9.052 5.935 -0.769 1.00 0.00 C ATOM 355 C GLY A 24 9.687 4.867 0.102 1.00 0.00 C ATOM 356 O GLY A 24 10.852 4.985 0.488 1.00 0.00 O ATOM 0 H GLY A 24 8.891 7.883 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.315 5.472 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.815 6.379 -1.408 1.00 0.00 H new ATOM 360 N ASN A 25 8.919 3.826 0.414 1.00 0.00 N ATOM 361 CA ASN A 25 9.403 2.729 1.250 1.00 0.00 C ATOM 362 C ASN A 25 9.492 1.419 0.462 1.00 0.00 C ATOM 363 O ASN A 25 8.981 1.316 -0.655 1.00 0.00 O ATOM 364 CB ASN A 25 8.483 2.547 2.460 1.00 0.00 C ATOM 365 CG ASN A 25 9.220 2.019 3.677 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.065 0.857 4.055 1.00 0.00 O ATOM 367 ND2 ASN A 25 10.033 2.869 4.297 1.00 0.00 N ATOM 0 H ASN A 25 7.955 3.718 0.099 1.00 0.00 H new ATOM 0 HA ASN A 25 10.406 2.986 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.019 3.502 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.678 1.859 2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.557 2.567 5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.133 3.823 3.951 1.00 0.00 H new ATOM 374 N MET A 26 10.142 0.421 1.060 1.00 0.00 N ATOM 375 CA MET A 26 10.301 -0.889 0.430 1.00 0.00 C ATOM 376 C MET A 26 9.042 -1.744 0.604 1.00 0.00 C ATOM 377 O MET A 26 8.152 -1.405 1.391 1.00 0.00 O ATOM 378 CB MET A 26 11.520 -1.610 1.022 1.00 0.00 C ATOM 379 CG MET A 26 12.761 -1.527 0.148 1.00 0.00 C ATOM 380 SD MET A 26 12.662 -2.591 -1.305 1.00 0.00 S ATOM 381 CE MET A 26 13.565 -4.029 -0.737 1.00 0.00 C ATOM 0 H MET A 26 10.568 0.496 1.984 1.00 0.00 H new ATOM 0 HA MET A 26 10.458 -0.737 -0.638 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.745 -1.183 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.269 -2.658 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.907 -0.495 -0.172 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.635 -1.805 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.590 -4.778 -1.528 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.584 -3.740 -0.478 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.071 -4.445 0.141 1.00 0.00 H new ATOM 391 N TYR A 27 8.973 -2.856 -0.134 1.00 0.00 N ATOM 392 CA TYR A 27 7.825 -3.763 -0.062 1.00 0.00 C ATOM 393 C TYR A 27 7.703 -4.384 1.330 1.00 0.00 C ATOM 394 O TYR A 27 8.707 -4.605 2.011 1.00 0.00 O ATOM 395 CB TYR A 27 7.946 -4.874 -1.112 1.00 0.00 C ATOM 396 CG TYR A 27 7.049 -4.679 -2.312 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.675 -4.862 -2.216 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.577 -4.307 -3.542 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.853 -4.681 -3.313 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.761 -4.123 -4.642 1.00 0.00 C ATOM 401 CZ TYR A 27 5.402 -4.312 -4.523 1.00 0.00 C ATOM 402 OH TYR A 27 4.587 -4.123 -5.614 1.00 0.00 O ATOM 0 H TYR A 27 9.699 -3.149 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 27 6.928 -3.177 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.981 -4.931 -1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.710 -5.830 -0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.242 -5.150 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.642 -4.159 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.787 -4.828 -3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.187 -3.832 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 27 4.342 -4.993 -5.994 1.00 0.00 H new ATOM 412 N LYS A 28 6.469 -4.667 1.741 1.00 0.00 N ATOM 413 CA LYS A 28 6.212 -5.270 3.049 1.00 0.00 C ATOM 414 C LYS A 28 5.031 -6.236 2.973 1.00 0.00 C ATOM 415 O LYS A 28 3.923 -5.845 2.607 1.00 0.00 O ATOM 416 CB LYS A 28 5.931 -4.190 4.105 1.00 0.00 C ATOM 417 CG LYS A 28 7.026 -3.136 4.244 1.00 0.00 C ATOM 418 CD LYS A 28 8.227 -3.665 5.012 1.00 0.00 C ATOM 419 CE LYS A 28 9.436 -2.755 4.844 1.00 0.00 C ATOM 420 NZ LYS A 28 9.237 -1.426 5.496 1.00 0.00 N ATOM 0 H LYS A 28 5.631 -4.489 1.188 1.00 0.00 H new ATOM 0 HA LYS A 28 7.105 -5.822 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.995 -3.691 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.786 -4.674 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.343 -2.809 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.625 -2.261 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.977 -3.749 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.472 -4.668 4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.315 -3.239 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.635 -2.611 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.038 -0.709 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.436 -1.480 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.098 -1.162 6.016 1.00 0.00 H new ATOM 434 N SER A 29 5.268 -7.498 3.320 1.00 0.00 N ATOM 435 CA SER A 29 4.214 -8.506 3.286 1.00 0.00 C ATOM 436 C SER A 29 3.463 -8.554 4.621 1.00 0.00 C ATOM 437 O SER A 29 4.075 -8.578 5.691 1.00 0.00 O ATOM 438 CB SER A 29 4.802 -9.880 2.938 1.00 0.00 C ATOM 439 OG SER A 29 4.797 -10.760 4.052 1.00 0.00 O ATOM 0 H SER A 29 6.177 -7.845 3.627 1.00 0.00 H new ATOM 0 HA SER A 29 3.499 -8.232 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.229 -10.323 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.824 -9.756 2.579 1.00 0.00 H new ATOM 0 HG SER A 29 5.178 -11.624 3.788 1.00 0.00 H new ATOM 445 N ILE A 30 2.134 -8.562 4.544 1.00 0.00 N ATOM 446 CA ILE A 30 1.285 -8.600 5.735 1.00 0.00 C ATOM 447 C ILE A 30 0.111 -9.559 5.534 1.00 0.00 C ATOM 448 O ILE A 30 -0.448 -9.644 4.439 1.00 0.00 O ATOM 449 CB ILE A 30 0.714 -7.202 6.105 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.355 -6.077 5.272 1.00 0.00 C ATOM 451 CG2 ILE A 30 0.894 -6.927 7.594 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.729 -5.658 5.752 1.00 0.00 C ATOM 0 H ILE A 30 1.618 -8.543 3.664 1.00 0.00 H new ATOM 0 HA ILE A 30 1.923 -8.943 6.549 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.351 -7.216 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.428 -6.404 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.696 -5.209 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.488 -5.944 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.368 -7.688 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.955 -6.952 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.111 -4.862 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.662 -5.298 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.405 -6.512 5.711 1.00 0.00 H new ATOM 464 N LEU A 31 -0.271 -10.268 6.597 1.00 0.00 N ATOM 465 CA LEU A 31 -1.393 -11.202 6.525 1.00 0.00 C ATOM 466 C LEU A 31 -2.711 -10.433 6.485 1.00 0.00 C ATOM 467 O LEU A 31 -3.052 -9.714 7.427 1.00 0.00 O ATOM 468 CB LEU A 31 -1.377 -12.172 7.712 1.00 0.00 C ATOM 469 CG LEU A 31 -0.561 -13.447 7.488 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.430 -13.656 8.623 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.480 -14.653 7.353 1.00 0.00 C ATOM 0 H LEU A 31 0.177 -10.214 7.512 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.295 -11.787 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.979 -11.651 8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.404 -12.451 7.949 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.000 -13.336 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.000 -14.568 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.111 -12.806 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.110 -13.744 9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.882 -15.550 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.069 -14.766 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.149 -14.508 6.504 1.00 0.00 H new ATOM 483 N VAL A 32 -3.429 -10.568 5.375 1.00 0.00 N ATOM 484 CA VAL A 32 -4.699 -9.868 5.183 1.00 0.00 C ATOM 485 C VAL A 32 -5.795 -10.817 4.705 1.00 0.00 C ATOM 486 O VAL A 32 -5.511 -11.850 4.099 1.00 0.00 O ATOM 487 CB VAL A 32 -4.539 -8.736 4.149 1.00 0.00 C ATOM 488 CG1 VAL A 32 -5.784 -7.865 4.080 1.00 0.00 C ATOM 489 CG2 VAL A 32 -3.312 -7.893 4.464 1.00 0.00 C ATOM 0 H VAL A 32 -3.153 -11.158 4.590 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.987 -9.453 6.149 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.403 -9.197 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.636 -7.077 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.640 -8.476 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.969 -7.417 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.216 -7.099 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.418 -7.453 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.422 -8.522 4.439 1.00 0.00 H new ATOM 499 N THR A 33 -7.050 -10.452 4.964 1.00 0.00 N ATOM 500 CA THR A 33 -8.184 -11.267 4.542 1.00 0.00 C ATOM 501 C THR A 33 -8.532 -10.982 3.082 1.00 0.00 C ATOM 502 O THR A 33 -8.343 -9.862 2.601 1.00 0.00 O ATOM 503 CB THR A 33 -9.405 -11.006 5.432 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.946 -9.718 5.189 1.00 0.00 O ATOM 505 CG2 THR A 33 -9.106 -11.104 6.913 1.00 0.00 C ATOM 0 H THR A 33 -7.305 -9.599 5.463 1.00 0.00 H new ATOM 0 HA THR A 33 -7.901 -12.315 4.640 1.00 0.00 H new ATOM 0 HB THR A 33 -10.117 -11.789 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.333 -9.035 5.534 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.015 -10.908 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.742 -12.105 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.346 -10.370 7.180 1.00 0.00 H new ATOM 513 N SER A 34 -9.047 -11.992 2.381 1.00 0.00 N ATOM 514 CA SER A 34 -9.424 -11.837 0.974 1.00 0.00 C ATOM 515 C SER A 34 -10.474 -10.734 0.809 1.00 0.00 C ATOM 516 O SER A 34 -10.535 -10.079 -0.233 1.00 0.00 O ATOM 517 CB SER A 34 -9.955 -13.159 0.399 1.00 0.00 C ATOM 518 OG SER A 34 -9.902 -14.204 1.357 1.00 0.00 O ATOM 0 H SER A 34 -9.213 -12.924 2.762 1.00 0.00 H new ATOM 0 HA SER A 34 -8.529 -11.552 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.983 -13.024 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.368 -13.437 -0.477 1.00 0.00 H new ATOM 0 HG SER A 34 -10.676 -14.139 1.955 1.00 0.00 H new ATOM 524 N GLN A 35 -11.290 -10.533 1.848 1.00 0.00 N ATOM 525 CA GLN A 35 -12.329 -9.511 1.832 1.00 0.00 C ATOM 526 C GLN A 35 -12.034 -8.410 2.859 1.00 0.00 C ATOM 527 O GLN A 35 -12.904 -8.028 3.645 1.00 0.00 O ATOM 528 CB GLN A 35 -13.690 -10.155 2.112 1.00 0.00 C ATOM 529 CG GLN A 35 -14.855 -9.432 1.455 1.00 0.00 C ATOM 530 CD GLN A 35 -15.972 -9.110 2.432 1.00 0.00 C ATOM 531 OE1 GLN A 35 -16.164 -7.954 2.806 1.00 0.00 O ATOM 532 NE2 GLN A 35 -16.714 -10.129 2.854 1.00 0.00 N ATOM 0 H GLN A 35 -11.247 -11.071 2.714 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.348 -9.049 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.672 -11.188 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.853 -10.185 3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.495 -8.507 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.251 -10.048 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.522 -11.073 2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.476 -9.967 3.513 1.00 0.00 H new ATOM 541 N ASP A 36 -10.799 -7.906 2.845 1.00 0.00 N ATOM 542 CA ASP A 36 -10.383 -6.850 3.772 1.00 0.00 C ATOM 543 C ASP A 36 -10.908 -5.481 3.315 1.00 0.00 C ATOM 544 O ASP A 36 -11.681 -5.394 2.358 1.00 0.00 O ATOM 545 CB ASP A 36 -8.853 -6.834 3.895 1.00 0.00 C ATOM 546 CG ASP A 36 -8.379 -6.396 5.268 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.317 -7.251 6.177 1.00 0.00 O ATOM 548 OD2 ASP A 36 -8.066 -5.201 5.435 1.00 0.00 O ATOM 0 H ASP A 36 -10.068 -8.212 2.202 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.811 -7.059 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.465 -7.830 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.439 -6.164 3.142 1.00 0.00 H new ATOM 553 N LYS A 37 -10.494 -4.417 4.007 1.00 0.00 N ATOM 554 CA LYS A 37 -10.935 -3.062 3.670 1.00 0.00 C ATOM 555 C LYS A 37 -9.764 -2.079 3.700 1.00 0.00 C ATOM 556 O LYS A 37 -8.748 -2.333 4.347 1.00 0.00 O ATOM 557 CB LYS A 37 -12.028 -2.588 4.636 1.00 0.00 C ATOM 558 CG LYS A 37 -12.986 -3.681 5.093 1.00 0.00 C ATOM 559 CD LYS A 37 -14.231 -3.733 4.226 1.00 0.00 C ATOM 560 CE LYS A 37 -14.830 -5.129 4.195 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.528 -5.834 2.919 1.00 0.00 N ATOM 0 H LYS A 37 -9.856 -4.467 4.801 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.342 -3.092 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.554 -2.148 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.603 -1.797 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.480 -4.646 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.272 -3.505 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.970 -3.027 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.983 -3.420 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.441 -5.710 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.910 -5.064 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.982 -6.769 2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.891 -5.276 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.499 -5.949 2.821 1.00 0.00 H new ATOM 575 N ALA A 38 -9.919 -0.955 2.996 1.00 0.00 N ATOM 576 CA ALA A 38 -8.875 0.075 2.936 1.00 0.00 C ATOM 577 C ALA A 38 -8.281 0.389 4.317 1.00 0.00 C ATOM 578 O ALA A 38 -7.084 0.192 4.534 1.00 0.00 O ATOM 579 CB ALA A 38 -9.417 1.347 2.295 1.00 0.00 C ATOM 0 H ALA A 38 -10.757 -0.734 2.459 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.069 -0.325 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.630 2.100 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.757 1.128 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.253 1.724 2.885 1.00 0.00 H new ATOM 585 N PRO A 39 -9.100 0.894 5.269 1.00 0.00 N ATOM 586 CA PRO A 39 -8.628 1.242 6.617 1.00 0.00 C ATOM 587 C PRO A 39 -7.925 0.087 7.329 1.00 0.00 C ATOM 588 O PRO A 39 -6.951 0.302 8.050 1.00 0.00 O ATOM 589 CB PRO A 39 -9.902 1.650 7.374 1.00 0.00 C ATOM 590 CG PRO A 39 -11.046 1.216 6.519 1.00 0.00 C ATOM 591 CD PRO A 39 -10.536 1.180 5.104 1.00 0.00 C ATOM 0 HA PRO A 39 -7.878 2.032 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.944 1.173 8.353 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.928 2.727 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.408 0.235 6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.883 1.908 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.035 0.410 4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.701 2.128 4.592 1.00 0.00 H new ATOM 599 N ALA A 40 -8.413 -1.136 7.121 1.00 0.00 N ATOM 600 CA ALA A 40 -7.816 -2.316 7.746 1.00 0.00 C ATOM 601 C ALA A 40 -6.509 -2.705 7.052 1.00 0.00 C ATOM 602 O ALA A 40 -5.558 -3.142 7.706 1.00 0.00 O ATOM 603 CB ALA A 40 -8.801 -3.477 7.734 1.00 0.00 C ATOM 0 H ALA A 40 -9.218 -1.335 6.526 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.582 -2.071 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.343 -4.348 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.699 -3.198 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.068 -3.717 6.705 1.00 0.00 H new ATOM 609 N VAL A 41 -6.465 -2.537 5.729 1.00 0.00 N ATOM 610 CA VAL A 41 -5.273 -2.856 4.950 1.00 0.00 C ATOM 611 C VAL A 41 -4.156 -1.859 5.243 1.00 0.00 C ATOM 612 O VAL A 41 -3.030 -2.253 5.551 1.00 0.00 O ATOM 613 CB VAL A 41 -5.578 -2.868 3.434 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.312 -2.649 2.612 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.254 -4.172 3.041 1.00 0.00 C ATOM 0 H VAL A 41 -7.245 -2.181 5.176 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.948 -3.854 5.244 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.258 -2.043 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.560 -2.663 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.873 -1.685 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.596 -3.442 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.463 -4.166 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.596 -5.008 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.188 -4.278 3.592 1.00 0.00 H new ATOM 625 N ILE A 42 -4.478 -0.566 5.159 1.00 0.00 N ATOM 626 CA ILE A 42 -3.499 0.481 5.433 1.00 0.00 C ATOM 627 C ILE A 42 -2.968 0.353 6.861 1.00 0.00 C ATOM 628 O ILE A 42 -1.785 0.580 7.112 1.00 0.00 O ATOM 629 CB ILE A 42 -4.095 1.891 5.224 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.422 2.114 3.745 1.00 0.00 C ATOM 631 CG2 ILE A 42 -3.132 2.963 5.719 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.672 2.933 3.519 1.00 0.00 C ATOM 0 H ILE A 42 -5.404 -0.223 4.905 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.679 0.352 4.727 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.016 1.964 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.579 2.613 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.539 1.146 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.572 3.948 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.940 2.817 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.194 2.892 5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.841 3.050 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.526 2.425 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.552 3.915 3.977 1.00 0.00 H new ATOM 644 N ARG A 43 -3.848 -0.036 7.790 1.00 0.00 N ATOM 645 CA ARG A 43 -3.458 -0.218 9.186 1.00 0.00 C ATOM 646 C ARG A 43 -2.345 -1.261 9.297 1.00 0.00 C ATOM 647 O ARG A 43 -1.328 -1.027 9.949 1.00 0.00 O ATOM 648 CB ARG A 43 -4.665 -0.639 10.029 1.00 0.00 C ATOM 649 CG ARG A 43 -4.461 -0.462 11.528 1.00 0.00 C ATOM 650 CD ARG A 43 -4.823 0.944 11.986 1.00 0.00 C ATOM 651 NE ARG A 43 -6.238 1.254 11.763 1.00 0.00 N ATOM 652 CZ ARG A 43 -6.823 2.391 12.142 1.00 0.00 C ATOM 653 NH1 ARG A 43 -6.130 3.326 12.780 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.108 2.591 11.885 1.00 0.00 N ATOM 0 H ARG A 43 -4.831 -0.229 7.598 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.084 0.733 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.533 -0.057 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.892 -1.685 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.071 -1.188 12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.421 -0.670 11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.593 1.049 13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.206 1.668 11.453 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.811 0.557 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.142 3.178 12.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.586 4.193 13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.648 1.876 11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.557 3.460 12.174 1.00 0.00 H new ATOM 668 N LYS A 44 -2.537 -2.407 8.636 1.00 0.00 N ATOM 669 CA LYS A 44 -1.539 -3.477 8.645 1.00 0.00 C ATOM 670 C LYS A 44 -0.272 -3.033 7.912 1.00 0.00 C ATOM 671 O LYS A 44 0.844 -3.263 8.388 1.00 0.00 O ATOM 672 CB LYS A 44 -2.109 -4.745 7.999 1.00 0.00 C ATOM 673 CG LYS A 44 -3.156 -5.444 8.851 1.00 0.00 C ATOM 674 CD LYS A 44 -3.543 -6.795 8.267 1.00 0.00 C ATOM 675 CE LYS A 44 -5.041 -7.041 8.362 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.788 -6.379 7.254 1.00 0.00 N ATOM 0 H LYS A 44 -3.373 -2.616 8.090 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.281 -3.699 9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.550 -4.486 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.293 -5.439 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.771 -5.581 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.042 -4.814 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.232 -6.843 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.010 -7.586 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.234 -8.113 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.409 -6.671 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.576 -6.988 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.162 -5.466 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.148 -6.221 6.450 1.00 0.00 H new ATOM 690 N ALA A 45 -0.451 -2.381 6.761 1.00 0.00 N ATOM 691 CA ALA A 45 0.676 -1.886 5.974 1.00 0.00 C ATOM 692 C ALA A 45 1.492 -0.871 6.777 1.00 0.00 C ATOM 693 O ALA A 45 2.722 -0.867 6.709 1.00 0.00 O ATOM 694 CB ALA A 45 0.189 -1.274 4.668 1.00 0.00 C ATOM 0 H ALA A 45 -1.366 -2.185 6.355 1.00 0.00 H new ATOM 0 HA ALA A 45 1.324 -2.730 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.043 -0.911 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.342 -2.029 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.483 -0.443 4.884 1.00 0.00 H new ATOM 700 N MET A 46 0.800 -0.024 7.548 1.00 0.00 N ATOM 701 CA MET A 46 1.462 0.985 8.378 1.00 0.00 C ATOM 702 C MET A 46 2.373 0.321 9.414 1.00 0.00 C ATOM 703 O MET A 46 3.433 0.854 9.742 1.00 0.00 O ATOM 704 CB MET A 46 0.424 1.894 9.062 1.00 0.00 C ATOM 705 CG MET A 46 0.142 1.552 10.520 1.00 0.00 C ATOM 706 SD MET A 46 -1.445 2.191 11.090 1.00 0.00 S ATOM 707 CE MET A 46 -1.518 1.487 12.733 1.00 0.00 C ATOM 0 H MET A 46 -0.218 -0.019 7.613 1.00 0.00 H new ATOM 0 HA MET A 46 2.082 1.606 7.731 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.771 2.926 9.005 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.510 1.841 8.503 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.159 0.469 10.645 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.938 1.958 11.145 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.410 1.848 13.244 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.556 0.400 12.662 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.633 1.783 13.295 1.00 0.00 H new ATOM 717 N ASP A 47 1.971 -0.858 9.907 1.00 0.00 N ATOM 718 CA ASP A 47 2.777 -1.597 10.881 1.00 0.00 C ATOM 719 C ASP A 47 4.144 -1.945 10.287 1.00 0.00 C ATOM 720 O ASP A 47 5.137 -2.057 11.009 1.00 0.00 O ATOM 721 CB ASP A 47 2.055 -2.874 11.325 1.00 0.00 C ATOM 722 CG ASP A 47 0.848 -2.586 12.197 1.00 0.00 C ATOM 723 OD1 ASP A 47 1.022 -1.965 13.265 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.269 -2.985 11.810 1.00 0.00 O ATOM 0 H ASP A 47 1.097 -1.316 9.648 1.00 0.00 H new ATOM 0 HA ASP A 47 2.924 -0.961 11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.738 -3.433 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.751 -3.509 11.872 1.00 0.00 H new ATOM 729 N LYS A 48 4.190 -2.089 8.962 1.00 0.00 N ATOM 730 CA LYS A 48 5.434 -2.389 8.258 1.00 0.00 C ATOM 731 C LYS A 48 6.012 -1.119 7.616 1.00 0.00 C ATOM 732 O LYS A 48 7.147 -1.119 7.135 1.00 0.00 O ATOM 733 CB LYS A 48 5.203 -3.465 7.193 1.00 0.00 C ATOM 734 CG LYS A 48 5.053 -4.871 7.760 1.00 0.00 C ATOM 735 CD LYS A 48 6.240 -5.260 8.630 1.00 0.00 C ATOM 736 CE LYS A 48 5.878 -5.255 10.109 1.00 0.00 C ATOM 737 NZ LYS A 48 6.705 -4.284 10.886 1.00 0.00 N ATOM 0 H LYS A 48 3.376 -2.002 8.354 1.00 0.00 H new ATOM 0 HA LYS A 48 6.154 -2.768 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.306 -3.215 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.037 -3.454 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.137 -4.930 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.953 -5.584 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.591 -6.252 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.063 -4.567 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.823 -5.005 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.014 -6.256 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.146 -4.771 11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.446 -3.890 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.100 -3.514 11.235 1.00 0.00 H new ATOM 751 N HIS A 49 5.219 -0.040 7.616 1.00 0.00 N ATOM 752 CA HIS A 49 5.623 1.239 7.052 1.00 0.00 C ATOM 753 C HIS A 49 5.475 2.353 8.089 1.00 0.00 C ATOM 754 O HIS A 49 4.916 3.412 7.797 1.00 0.00 O ATOM 755 CB HIS A 49 4.764 1.564 5.835 1.00 0.00 C ATOM 756 CG HIS A 49 5.001 0.668 4.668 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.376 -0.546 4.510 1.00 0.00 N ATOM 758 CD2 HIS A 49 5.801 0.822 3.594 1.00 0.00 C ATOM 759 CE1 HIS A 49 4.785 -1.104 3.386 1.00 0.00 C ATOM 760 NE2 HIS A 49 5.653 -0.294 2.808 1.00 0.00 N ATOM 0 H HIS A 49 4.278 -0.037 8.010 1.00 0.00 H new ATOM 0 HA HIS A 49 6.669 1.169 6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.713 1.504 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.954 2.594 5.534 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.702 -0.952 5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.441 1.668 3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.464 -2.062 3.004 1.00 0.00 H new ATOM 769 N ASN A 50 5.963 2.109 9.306 1.00 0.00 N ATOM 770 CA ASN A 50 5.872 3.097 10.387 1.00 0.00 C ATOM 771 C ASN A 50 6.795 4.295 10.126 1.00 0.00 C ATOM 772 O ASN A 50 7.649 4.633 10.950 1.00 0.00 O ATOM 773 CB ASN A 50 6.213 2.455 11.742 1.00 0.00 C ATOM 774 CG ASN A 50 5.123 1.519 12.246 1.00 0.00 C ATOM 775 OD1 ASN A 50 5.335 0.312 12.340 1.00 0.00 O ATOM 776 ND2 ASN A 50 3.950 2.058 12.580 1.00 0.00 N ATOM 0 H ASN A 50 6.425 1.238 9.570 1.00 0.00 H new ATOM 0 HA ASN A 50 4.844 3.457 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.147 1.901 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.379 3.241 12.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.196 1.464 12.926 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.807 3.064 12.490 1.00 0.00 H new ATOM 783 N LEU A 51 6.609 4.936 8.972 1.00 0.00 N ATOM 784 CA LEU A 51 7.405 6.099 8.582 1.00 0.00 C ATOM 785 C LEU A 51 6.518 7.121 7.871 1.00 0.00 C ATOM 786 O LEU A 51 6.554 7.246 6.645 1.00 0.00 O ATOM 787 CB LEU A 51 8.567 5.677 7.672 1.00 0.00 C ATOM 788 CG LEU A 51 9.357 4.451 8.143 1.00 0.00 C ATOM 789 CD1 LEU A 51 8.960 3.215 7.346 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.853 4.702 8.027 1.00 0.00 C ATOM 0 H LEU A 51 5.906 4.665 8.285 1.00 0.00 H new ATOM 0 HA LEU A 51 7.822 6.555 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.172 5.473 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.255 6.517 7.576 1.00 0.00 H new ATOM 0 HG LEU A 51 9.117 4.273 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.533 2.356 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.896 3.021 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.167 3.382 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.397 3.820 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.108 4.908 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.127 5.557 8.644 1.00 0.00 H new ATOM 802 N GLU A 52 5.708 7.840 8.652 1.00 0.00 N ATOM 803 CA GLU A 52 4.787 8.841 8.110 1.00 0.00 C ATOM 804 C GLU A 52 3.807 8.209 7.112 1.00 0.00 C ATOM 805 O GLU A 52 3.359 8.859 6.165 1.00 0.00 O ATOM 806 CB GLU A 52 5.572 9.968 7.440 1.00 0.00 C ATOM 807 CG GLU A 52 6.223 10.929 8.426 1.00 0.00 C ATOM 808 CD GLU A 52 7.736 10.826 8.428 1.00 0.00 C ATOM 809 OE1 GLU A 52 8.265 9.890 9.063 1.00 0.00 O ATOM 810 OE2 GLU A 52 8.390 11.682 7.796 1.00 0.00 O ATOM 0 H GLU A 52 5.672 7.746 9.667 1.00 0.00 H new ATOM 0 HA GLU A 52 4.207 9.253 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.344 9.534 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.902 10.528 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.932 11.950 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.847 10.725 9.429 1.00 0.00 H new ATOM 817 N GLU A 53 3.479 6.934 7.339 1.00 0.00 N ATOM 818 CA GLU A 53 2.555 6.202 6.474 1.00 0.00 C ATOM 819 C GLU A 53 1.464 5.517 7.305 1.00 0.00 C ATOM 820 O GLU A 53 1.157 4.339 7.100 1.00 0.00 O ATOM 821 CB GLU A 53 3.321 5.157 5.646 1.00 0.00 C ATOM 822 CG GLU A 53 4.437 5.746 4.794 1.00 0.00 C ATOM 823 CD GLU A 53 5.575 4.769 4.545 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.342 4.493 5.489 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.703 4.284 3.401 1.00 0.00 O ATOM 0 H GLU A 53 3.843 6.387 8.119 1.00 0.00 H new ATOM 0 HA GLU A 53 2.080 6.913 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.745 4.413 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.618 4.635 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.025 6.067 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.831 6.636 5.286 1.00 0.00 H new ATOM 832 N GLU A 54 0.884 6.259 8.252 1.00 0.00 N ATOM 833 CA GLU A 54 -0.160 5.718 9.121 1.00 0.00 C ATOM 834 C GLU A 54 -1.485 6.461 8.942 1.00 0.00 C ATOM 835 O GLU A 54 -1.959 7.148 9.851 1.00 0.00 O ATOM 836 CB GLU A 54 0.293 5.777 10.582 1.00 0.00 C ATOM 837 CG GLU A 54 1.528 4.934 10.863 1.00 0.00 C ATOM 838 CD GLU A 54 1.690 4.589 12.331 1.00 0.00 C ATOM 839 OE1 GLU A 54 0.770 3.964 12.902 1.00 0.00 O ATOM 840 OE2 GLU A 54 2.739 4.939 12.910 1.00 0.00 O ATOM 0 H GLU A 54 1.120 7.234 8.435 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.327 4.679 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.500 6.813 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.522 5.440 11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.472 4.013 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.413 5.471 10.522 1.00 0.00 H new ATOM 847 N GLU A 55 -2.086 6.305 7.763 1.00 0.00 N ATOM 848 CA GLU A 55 -3.365 6.945 7.457 1.00 0.00 C ATOM 849 C GLU A 55 -4.328 5.937 6.817 1.00 0.00 C ATOM 850 O GLU A 55 -4.383 5.808 5.591 1.00 0.00 O ATOM 851 CB GLU A 55 -3.161 8.147 6.527 1.00 0.00 C ATOM 852 CG GLU A 55 -2.106 9.133 7.012 1.00 0.00 C ATOM 853 CD GLU A 55 -1.070 9.454 5.952 1.00 0.00 C ATOM 854 OE1 GLU A 55 -1.371 10.269 5.056 1.00 0.00 O ATOM 855 OE2 GLU A 55 0.043 8.888 6.017 1.00 0.00 O ATOM 0 H GLU A 55 -1.707 5.740 7.003 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.800 7.301 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.878 7.785 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.110 8.672 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.595 10.055 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.606 8.721 7.889 1.00 0.00 H new ATOM 862 N PRO A 56 -5.089 5.189 7.647 1.00 0.00 N ATOM 863 CA PRO A 56 -6.038 4.168 7.168 1.00 0.00 C ATOM 864 C PRO A 56 -7.080 4.695 6.176 1.00 0.00 C ATOM 865 O PRO A 56 -7.613 3.930 5.371 1.00 0.00 O ATOM 866 CB PRO A 56 -6.726 3.671 8.449 1.00 0.00 C ATOM 867 CG PRO A 56 -6.396 4.676 9.500 1.00 0.00 C ATOM 868 CD PRO A 56 -5.070 5.265 9.116 1.00 0.00 C ATOM 0 HA PRO A 56 -5.512 3.392 6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.804 3.591 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.366 2.681 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.163 5.448 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.344 4.208 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.968 6.292 9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.239 4.700 9.539 1.00 0.00 H new ATOM 876 N GLU A 57 -7.376 5.989 6.240 1.00 0.00 N ATOM 877 CA GLU A 57 -8.364 6.596 5.350 1.00 0.00 C ATOM 878 C GLU A 57 -7.743 7.693 4.474 1.00 0.00 C ATOM 879 O GLU A 57 -8.355 8.742 4.256 1.00 0.00 O ATOM 880 CB GLU A 57 -9.520 7.165 6.177 1.00 0.00 C ATOM 881 CG GLU A 57 -9.086 8.229 7.173 1.00 0.00 C ATOM 882 CD GLU A 57 -8.652 7.647 8.507 1.00 0.00 C ATOM 883 OE1 GLU A 57 -9.530 7.228 9.290 1.00 0.00 O ATOM 884 OE2 GLU A 57 -7.430 7.612 8.765 1.00 0.00 O ATOM 0 H GLU A 57 -6.947 6.639 6.898 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.740 5.821 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.263 7.591 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.006 6.351 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.263 8.804 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.909 8.924 7.336 1.00 0.00 H new ATOM 891 N ASP A 58 -6.527 7.451 3.978 1.00 0.00 N ATOM 892 CA ASP A 58 -5.839 8.429 3.136 1.00 0.00 C ATOM 893 C ASP A 58 -4.971 7.773 2.056 1.00 0.00 C ATOM 894 O ASP A 58 -3.978 8.361 1.622 1.00 0.00 O ATOM 895 CB ASP A 58 -4.964 9.321 4.012 1.00 0.00 C ATOM 896 CG ASP A 58 -5.170 10.794 3.730 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.182 11.352 4.200 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.325 11.389 3.028 1.00 0.00 O ATOM 0 H ASP A 58 -6.003 6.592 4.144 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.604 9.015 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.183 9.121 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.916 9.067 3.851 1.00 0.00 H new ATOM 903 N TYR A 59 -5.317 6.559 1.632 1.00 0.00 N ATOM 904 CA TYR A 59 -4.521 5.864 0.625 1.00 0.00 C ATOM 905 C TYR A 59 -5.360 5.201 -0.464 1.00 0.00 C ATOM 906 O TYR A 59 -6.544 4.916 -0.287 1.00 0.00 O ATOM 907 CB TYR A 59 -3.682 4.787 1.298 1.00 0.00 C ATOM 908 CG TYR A 59 -2.454 5.311 1.984 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.556 6.099 3.120 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.192 5.011 1.501 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.436 6.576 3.757 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.062 5.482 2.133 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.188 6.264 3.262 1.00 0.00 C ATOM 914 OH TYR A 59 0.935 6.739 3.895 1.00 0.00 O ATOM 0 H TYR A 59 -6.131 6.043 1.965 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.901 6.623 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.299 4.264 2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.383 4.053 0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.533 6.342 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.092 4.399 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.533 7.191 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.917 5.240 1.746 1.00 0.00 H new ATOM 0 HH TYR A 59 0.683 7.456 4.514 1.00 0.00 H new ATOM 924 N GLU A 60 -4.688 4.910 -1.572 1.00 0.00 N ATOM 925 CA GLU A 60 -5.282 4.221 -2.709 1.00 0.00 C ATOM 926 C GLU A 60 -4.642 2.840 -2.813 1.00 0.00 C ATOM 927 O GLU A 60 -3.531 2.635 -2.313 1.00 0.00 O ATOM 928 CB GLU A 60 -5.061 5.013 -4.003 1.00 0.00 C ATOM 929 CG GLU A 60 -6.329 5.653 -4.543 1.00 0.00 C ATOM 930 CD GLU A 60 -6.359 5.709 -6.059 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.463 4.639 -6.692 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.279 6.824 -6.613 1.00 0.00 O ATOM 0 H GLU A 60 -3.705 5.149 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.358 4.127 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.319 5.791 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.647 4.348 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.193 5.092 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.419 6.664 -4.145 1.00 0.00 H new ATOM 939 N LEU A 61 -5.330 1.881 -3.420 1.00 0.00 N ATOM 940 CA LEU A 61 -4.779 0.536 -3.510 1.00 0.00 C ATOM 941 C LEU A 61 -4.688 0.008 -4.938 1.00 0.00 C ATOM 942 O LEU A 61 -5.682 -0.059 -5.664 1.00 0.00 O ATOM 943 CB LEU A 61 -5.600 -0.414 -2.645 1.00 0.00 C ATOM 944 CG LEU A 61 -5.113 -0.538 -1.202 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.775 0.506 -0.318 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.370 -1.939 -0.673 1.00 0.00 C ATOM 0 H LEU A 61 -6.248 2.004 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.754 0.591 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.636 -0.075 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.591 -1.402 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.038 -0.359 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.413 0.399 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.531 1.502 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.856 0.366 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.017 -2.010 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.439 -2.150 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.839 -2.664 -1.290 1.00 0.00 H new ATOM 958 N LEU A 62 -3.476 -0.398 -5.309 1.00 0.00 N ATOM 959 CA LEU A 62 -3.197 -0.966 -6.625 1.00 0.00 C ATOM 960 C LEU A 62 -2.733 -2.411 -6.452 1.00 0.00 C ATOM 961 O LEU A 62 -2.300 -2.785 -5.366 1.00 0.00 O ATOM 962 CB LEU A 62 -2.115 -0.151 -7.346 1.00 0.00 C ATOM 963 CG LEU A 62 -2.405 1.345 -7.494 1.00 0.00 C ATOM 964 CD1 LEU A 62 -2.026 2.099 -6.227 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.657 1.912 -8.691 1.00 0.00 C ATOM 0 H LEU A 62 -2.657 -0.342 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.104 -0.937 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.176 -0.269 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.967 -0.575 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.475 1.471 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.241 3.160 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.603 1.712 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.962 1.966 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.873 2.976 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.585 1.770 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.976 1.397 -9.597 1.00 0.00 H new ATOM 977 N GLN A 63 -2.825 -3.228 -7.501 1.00 0.00 N ATOM 978 CA GLN A 63 -2.403 -4.626 -7.391 1.00 0.00 C ATOM 979 C GLN A 63 -1.682 -5.128 -8.636 1.00 0.00 C ATOM 980 O GLN A 63 -2.080 -4.842 -9.765 1.00 0.00 O ATOM 981 CB GLN A 63 -3.601 -5.534 -7.090 1.00 0.00 C ATOM 982 CG GLN A 63 -3.416 -6.388 -5.843 1.00 0.00 C ATOM 983 CD GLN A 63 -2.692 -7.695 -6.118 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.538 -7.700 -6.536 1.00 0.00 O ATOM 985 NE2 GLN A 63 -3.363 -8.813 -5.881 1.00 0.00 N ATOM 0 H GLN A 63 -3.180 -2.956 -8.418 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.694 -4.665 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.493 -4.919 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.776 -6.187 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.857 -5.819 -5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.393 -6.605 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.321 -8.769 -5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.921 -9.718 -6.046 1.00 0.00 H new ATOM 994 N ILE A 64 -0.633 -5.910 -8.395 1.00 0.00 N ATOM 995 CA ILE A 64 0.163 -6.514 -9.453 1.00 0.00 C ATOM 996 C ILE A 64 -0.075 -8.026 -9.454 1.00 0.00 C ATOM 997 O ILE A 64 0.226 -8.708 -8.468 1.00 0.00 O ATOM 998 CB ILE A 64 1.668 -6.235 -9.253 1.00 0.00 C ATOM 999 CG1 ILE A 64 1.952 -4.733 -9.351 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.495 -7.005 -10.275 1.00 0.00 C ATOM 1001 CD1 ILE A 64 2.721 -4.186 -8.168 1.00 0.00 C ATOM 0 H ILE A 64 -0.312 -6.142 -7.455 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.140 -6.078 -10.405 1.00 0.00 H new ATOM 0 HB ILE A 64 1.952 -6.574 -8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.516 -4.537 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.007 -4.197 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.553 -6.796 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.315 -8.074 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.209 -6.697 -11.281 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.887 -3.117 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.149 -4.351 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.682 -4.695 -8.092 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.639 -8.541 -10.545 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.939 -9.964 -10.651 1.00 0.00 C ATOM 1015 C LEU A 65 -0.466 -10.534 -11.994 1.00 0.00 C ATOM 1016 O LEU A 65 0.305 -9.895 -12.711 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.451 -10.179 -10.474 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.021 -9.708 -9.129 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.887 -8.469 -9.305 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.823 -10.819 -8.472 1.00 0.00 C ATOM 0 H LEU A 65 -0.896 -7.993 -11.366 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.402 -10.495 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.973 -9.657 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.668 -11.241 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.183 -9.449 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.278 -8.157 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.288 -7.664 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.717 -8.697 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.219 -10.467 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.648 -11.107 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.178 -11.681 -8.300 1.00 0.00 H new ATOM 1032 N SER A 66 -0.936 -11.734 -12.328 1.00 0.00 N ATOM 1033 CA SER A 66 -0.572 -12.388 -13.584 1.00 0.00 C ATOM 1034 C SER A 66 -1.599 -12.047 -14.657 1.00 0.00 C ATOM 1035 O SER A 66 -1.308 -11.295 -15.589 1.00 0.00 O ATOM 1036 CB SER A 66 -0.473 -13.907 -13.398 1.00 0.00 C ATOM 1037 OG SER A 66 -1.626 -14.422 -12.750 1.00 0.00 O ATOM 0 H SER A 66 -1.573 -12.276 -11.744 1.00 0.00 H new ATOM 0 HA SER A 66 0.406 -12.024 -13.899 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.353 -14.388 -14.369 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.414 -14.147 -12.812 1.00 0.00 H new ATOM 0 HG SER A 66 -1.537 -15.392 -12.646 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.809 -12.578 -14.498 1.00 0.00 N ATOM 1044 CA ASP A 67 -3.895 -12.301 -15.434 1.00 0.00 C ATOM 1045 C ASP A 67 -4.292 -10.824 -15.354 1.00 0.00 C ATOM 1046 O ASP A 67 -4.806 -10.253 -16.317 1.00 0.00 O ATOM 1047 CB ASP A 67 -5.100 -13.196 -15.134 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.764 -14.671 -15.246 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -4.301 -15.252 -14.241 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.959 -15.243 -16.338 1.00 0.00 O ATOM 0 H ASP A 67 -3.062 -13.201 -13.731 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.551 -12.517 -16.445 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.466 -12.984 -14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.909 -12.956 -15.825 1.00 0.00 H new ATOM 1055 N ASP A 68 -4.018 -10.210 -14.197 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.307 -8.800 -13.973 1.00 0.00 C ATOM 1057 C ASP A 68 -3.002 -8.057 -13.678 1.00 0.00 C ATOM 1058 O ASP A 68 -2.880 -7.370 -12.662 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.307 -8.618 -12.817 1.00 0.00 C ATOM 1060 CG ASP A 68 -5.973 -9.914 -12.392 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -6.886 -10.375 -13.107 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -5.579 -10.465 -11.343 1.00 0.00 O ATOM 0 H ASP A 68 -3.592 -10.679 -13.397 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.764 -8.386 -14.872 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.788 -8.186 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.074 -7.905 -13.118 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.029 -8.241 -14.584 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.687 -7.639 -14.487 1.00 0.00 C ATOM 1069 C ARG A 69 -0.609 -6.510 -13.458 1.00 0.00 C ATOM 1070 O ARG A 69 0.089 -6.638 -12.453 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.214 -7.137 -15.862 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.336 -6.699 -16.805 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.520 -7.668 -17.969 1.00 0.00 C ATOM 1074 NE ARG A 69 -0.258 -7.963 -18.656 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.434 -9.096 -18.515 1.00 0.00 C ATOM 1076 NH1 ARG A 69 0.015 -10.055 -17.698 1.00 0.00 N ATOM 1077 NH2 ARG A 69 1.558 -9.268 -19.197 1.00 0.00 N ATOM 0 H ARG A 69 -2.152 -8.819 -15.415 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.022 -8.430 -14.141 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.465 -6.297 -15.713 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.359 -7.929 -16.345 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.269 -6.623 -16.247 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.115 -5.705 -17.193 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.955 -8.597 -17.600 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.228 -7.245 -18.682 1.00 0.00 H new ATOM 0 HE ARG A 69 0.117 -7.253 -19.285 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.847 -9.932 -17.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.555 -10.915 -17.601 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.890 -8.537 -19.826 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.091 -10.132 -19.093 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.328 -5.420 -13.704 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.338 -4.285 -12.785 1.00 0.00 C ATOM 1093 C LYS A 70 -2.677 -3.550 -12.836 1.00 0.00 C ATOM 1094 O LYS A 70 -3.154 -3.180 -13.910 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.197 -3.319 -13.106 1.00 0.00 C ATOM 1096 CG LYS A 70 1.071 -3.579 -12.308 1.00 0.00 C ATOM 1097 CD LYS A 70 2.061 -4.424 -13.095 1.00 0.00 C ATOM 1098 CE LYS A 70 2.823 -3.590 -14.113 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.032 -2.949 -13.519 1.00 0.00 N ATOM 0 H LYS A 70 -1.912 -5.297 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.196 -4.673 -11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.034 -3.385 -14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.532 -2.299 -12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.534 -2.630 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.819 -4.085 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.765 -4.894 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.530 -5.227 -13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.122 -4.223 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.165 -2.820 -14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.522 -2.390 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.746 -2.325 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.673 -3.684 -13.158 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.275 -3.345 -11.664 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.561 -2.657 -11.554 1.00 0.00 C ATOM 1115 C LEU A 71 -4.530 -1.632 -10.417 1.00 0.00 C ATOM 1116 O LEU A 71 -3.680 -1.710 -9.529 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.677 -3.681 -11.318 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.761 -4.233 -9.891 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.760 -3.436 -9.067 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -6.132 -5.709 -9.910 1.00 0.00 C ATOM 0 H LEU A 71 -2.886 -3.648 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.755 -2.125 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.632 -3.219 -11.569 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.535 -4.515 -12.006 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.781 -4.134 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.805 -3.843 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.446 -2.393 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.745 -3.500 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.187 -6.084 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.100 -5.835 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.375 -6.267 -10.461 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.454 -0.670 -10.446 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.515 0.359 -9.412 1.00 0.00 C ATOM 1134 C LYS A 72 -6.960 0.691 -9.040 1.00 0.00 C ATOM 1135 O LYS A 72 -7.812 0.870 -9.911 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.783 1.617 -9.883 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.149 2.874 -9.108 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.443 4.103 -9.665 1.00 0.00 C ATOM 1139 CE LYS A 72 -3.890 4.986 -8.556 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.413 6.380 -8.639 1.00 0.00 N ATOM 0 H LYS A 72 -6.166 -0.584 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.024 -0.028 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.709 1.452 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.001 1.777 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.228 3.025 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.883 2.745 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.630 3.790 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.140 4.678 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.150 4.558 -7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.802 5.003 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.621 7.052 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.919 6.508 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.065 6.554 -7.847 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.219 0.777 -7.736 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.552 1.092 -7.229 1.00 0.00 C ATOM 1156 C ILE A 73 -8.491 2.211 -6.186 1.00 0.00 C ATOM 1157 O ILE A 73 -7.588 2.236 -5.345 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.227 -0.154 -6.609 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.384 -1.260 -7.658 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.580 0.202 -5.999 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.321 -0.903 -8.794 1.00 0.00 C ATOM 0 H ILE A 73 -6.519 0.632 -7.009 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.148 1.427 -8.078 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.584 -0.523 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.403 -1.497 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.751 -2.162 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.032 -0.692 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.441 0.949 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.234 0.604 -6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.378 -1.737 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.314 -0.695 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.946 -0.020 -9.311 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.454 3.156 -6.239 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.524 4.298 -5.308 1.00 0.00 C ATOM 1175 C PRO A 74 -9.524 3.887 -3.830 1.00 0.00 C ATOM 1176 O PRO A 74 -9.430 2.704 -3.496 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.851 4.987 -5.671 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.590 4.017 -6.531 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.546 3.195 -7.223 1.00 0.00 C ATOM 0 HA PRO A 74 -8.647 4.937 -5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.423 5.231 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.674 5.923 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.248 3.387 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.219 4.537 -7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.911 2.196 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.229 3.651 -8.161 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.624 4.893 -2.953 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.632 4.695 -1.496 1.00 0.00 C ATOM 1189 C GLU A 75 -10.523 3.530 -1.049 1.00 0.00 C ATOM 1190 O GLU A 75 -10.279 2.938 0.003 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.095 5.979 -0.798 1.00 0.00 C ATOM 1192 CG GLU A 75 -8.963 6.936 -0.456 1.00 0.00 C ATOM 1193 CD GLU A 75 -8.821 7.160 1.037 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -8.180 6.323 1.705 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -9.353 8.173 1.537 1.00 0.00 O ATOM 0 H GLU A 75 -9.702 5.871 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.609 4.448 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.810 6.493 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.622 5.713 0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.027 6.542 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.139 7.892 -0.948 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.553 3.206 -1.832 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.464 2.111 -1.483 1.00 0.00 C ATOM 1204 C ASN A 76 -11.815 0.741 -1.728 1.00 0.00 C ATOM 1205 O ASN A 76 -12.297 -0.057 -2.537 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.791 2.221 -2.255 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.616 2.674 -3.697 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.316 1.869 -4.577 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.800 3.968 -3.947 1.00 0.00 N ATOM 0 H ASN A 76 -11.778 3.681 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.679 2.199 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.290 1.252 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.446 2.923 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.693 4.324 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.048 4.604 -3.189 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.722 0.475 -1.008 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.005 -0.797 -1.126 1.00 0.00 C ATOM 1218 C ALA A 77 -10.906 -1.984 -0.778 1.00 0.00 C ATOM 1219 O ALA A 77 -10.672 -3.104 -1.238 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.765 -0.795 -0.244 1.00 0.00 C ATOM 0 H ALA A 77 -10.314 1.125 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.697 -0.907 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.245 -1.748 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.102 0.014 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.058 -0.650 0.796 1.00 0.00 H new ATOM 1226 N ASN A 78 -11.944 -1.725 0.023 1.00 0.00 N ATOM 1227 CA ASN A 78 -12.902 -2.756 0.425 1.00 0.00 C ATOM 1228 C ASN A 78 -13.361 -3.573 -0.790 1.00 0.00 C ATOM 1229 O ASN A 78 -13.386 -4.803 -0.752 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.107 -2.093 1.108 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.400 -2.877 0.947 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.473 -4.055 1.293 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.428 -2.225 0.417 1.00 0.00 N ATOM 0 H ASN A 78 -12.142 -0.801 0.408 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.418 -3.436 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.893 -1.974 2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.244 -1.093 0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.320 -2.701 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.326 -1.248 0.143 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.713 -2.867 -1.864 1.00 0.00 N ATOM 1241 CA VAL A 79 -14.168 -3.501 -3.102 1.00 0.00 C ATOM 1242 C VAL A 79 -12.983 -3.965 -3.955 1.00 0.00 C ATOM 1243 O VAL A 79 -13.074 -4.967 -4.666 1.00 0.00 O ATOM 1244 CB VAL A 79 -15.046 -2.545 -3.940 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.918 -3.328 -4.912 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.901 -1.662 -3.038 1.00 0.00 C ATOM 0 H VAL A 79 -13.691 -1.848 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.764 -4.366 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.386 -1.898 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -16.528 -2.636 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.284 -3.905 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.567 -4.004 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.510 -0.998 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.550 -2.288 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.255 -1.068 -2.392 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.876 -3.224 -3.874 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.660 -3.539 -4.625 1.00 0.00 C ATOM 1258 C PHE A 80 -10.218 -4.988 -4.403 1.00 0.00 C ATOM 1259 O PHE A 80 -9.856 -5.684 -5.354 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.546 -2.564 -4.214 1.00 0.00 C ATOM 1261 CG PHE A 80 -8.148 -3.063 -4.451 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -7.744 -3.477 -5.708 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.235 -3.106 -3.410 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -6.456 -3.921 -5.923 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.947 -3.553 -3.619 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.555 -3.960 -4.876 1.00 0.00 C ATOM 0 H PHE A 80 -11.798 -2.392 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.870 -3.428 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.680 -1.631 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.659 -2.332 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.445 -3.452 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.535 -2.786 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.152 -4.238 -6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.246 -3.584 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.546 -4.308 -5.042 1.00 0.00 H new ATOM 1276 N TYR A 81 -10.241 -5.434 -3.147 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.831 -6.794 -2.806 1.00 0.00 C ATOM 1278 C TYR A 81 -10.811 -7.847 -3.324 1.00 0.00 C ATOM 1279 O TYR A 81 -10.431 -9.001 -3.524 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.642 -6.923 -1.296 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.288 -6.433 -0.846 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.158 -7.218 -1.023 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -8.134 -5.179 -0.268 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -5.914 -6.771 -0.634 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.890 -4.727 0.125 1.00 0.00 C ATOM 1286 CZ TYR A 81 -5.783 -5.527 -0.061 1.00 0.00 C ATOM 1287 OH TYR A 81 -4.539 -5.082 0.326 1.00 0.00 O ATOM 0 H TYR A 81 -10.539 -4.872 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.879 -6.982 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.420 -6.356 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.764 -7.966 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.255 -8.195 -1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.999 -4.549 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.045 -7.395 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.785 -3.751 0.576 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.971 -4.969 -0.465 1.00 0.00 H new ATOM 1297 N ALA A 82 -12.060 -7.450 -3.564 1.00 0.00 N ATOM 1298 CA ALA A 82 -13.066 -8.374 -4.083 1.00 0.00 C ATOM 1299 C ALA A 82 -12.957 -8.534 -5.609 1.00 0.00 C ATOM 1300 O ALA A 82 -13.781 -9.214 -6.224 1.00 0.00 O ATOM 1301 CB ALA A 82 -14.461 -7.900 -3.696 1.00 0.00 C ATOM 0 H ALA A 82 -12.398 -6.500 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.884 -9.352 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.203 -8.596 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.542 -7.856 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.637 -6.909 -4.113 1.00 0.00 H new ATOM 1307 N MET A 83 -11.943 -7.901 -6.217 1.00 0.00 N ATOM 1308 CA MET A 83 -11.747 -7.975 -7.663 1.00 0.00 C ATOM 1309 C MET A 83 -10.352 -8.500 -8.028 1.00 0.00 C ATOM 1310 O MET A 83 -10.220 -9.356 -8.904 1.00 0.00 O ATOM 1311 CB MET A 83 -11.966 -6.597 -8.299 1.00 0.00 C ATOM 1312 CG MET A 83 -13.308 -5.966 -7.953 1.00 0.00 C ATOM 1313 SD MET A 83 -14.702 -6.855 -8.672 1.00 0.00 S ATOM 1314 CE MET A 83 -14.517 -6.435 -10.404 1.00 0.00 C ATOM 0 H MET A 83 -11.250 -7.335 -5.727 1.00 0.00 H new ATOM 0 HA MET A 83 -12.481 -8.680 -8.054 1.00 0.00 H new ATOM 0 HB2 MET A 83 -11.167 -5.928 -7.978 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.888 -6.691 -9.382 1.00 0.00 H new ATOM 0 HG2 MET A 83 -13.422 -5.936 -6.869 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.321 -4.934 -8.304 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.442 -6.663 -10.934 1.00 0.00 H new ATOM 0 HE2 MET A 83 -14.297 -5.372 -10.499 1.00 0.00 H new ATOM 0 HE3 MET A 83 -13.700 -7.014 -10.834 1.00 0.00 H new ATOM 1324 N ASN A 84 -9.315 -7.971 -7.372 1.00 0.00 N ATOM 1325 CA ASN A 84 -7.934 -8.378 -7.654 1.00 0.00 C ATOM 1326 C ASN A 84 -7.580 -9.744 -7.050 1.00 0.00 C ATOM 1327 O ASN A 84 -6.809 -10.496 -7.646 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.951 -7.315 -7.144 1.00 0.00 C ATOM 1329 CG ASN A 84 -6.638 -7.463 -5.664 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -5.827 -8.296 -5.269 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -7.286 -6.662 -4.837 1.00 0.00 N ATOM 0 H ASN A 84 -9.404 -7.262 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.851 -8.472 -8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.025 -7.380 -7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.368 -6.324 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.120 -6.723 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.953 -5.982 -5.203 1.00 0.00 H new ATOM 1338 N SER A 85 -8.116 -10.046 -5.863 1.00 0.00 N ATOM 1339 CA SER A 85 -7.824 -11.316 -5.180 1.00 0.00 C ATOM 1340 C SER A 85 -8.182 -12.528 -6.046 1.00 0.00 C ATOM 1341 O SER A 85 -9.300 -13.044 -5.971 1.00 0.00 O ATOM 1342 CB SER A 85 -8.569 -11.394 -3.843 1.00 0.00 C ATOM 1343 OG SER A 85 -8.229 -10.304 -3.002 1.00 0.00 O ATOM 0 H SER A 85 -8.753 -9.432 -5.354 1.00 0.00 H new ATOM 0 HA SER A 85 -6.750 -11.341 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.644 -11.397 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.327 -12.332 -3.343 1.00 0.00 H new ATOM 0 HG SER A 85 -8.984 -9.681 -2.953 1.00 0.00 H new ATOM 1349 N THR A 86 -7.229 -12.976 -6.870 1.00 0.00 N ATOM 1350 CA THR A 86 -7.447 -14.127 -7.750 1.00 0.00 C ATOM 1351 C THR A 86 -6.257 -15.098 -7.735 1.00 0.00 C ATOM 1352 O THR A 86 -6.452 -16.314 -7.749 1.00 0.00 O ATOM 1353 CB THR A 86 -7.741 -13.658 -9.184 1.00 0.00 C ATOM 1354 OG1 THR A 86 -8.226 -14.732 -9.973 1.00 0.00 O ATOM 1355 CG2 THR A 86 -6.543 -13.066 -9.900 1.00 0.00 C ATOM 0 H THR A 86 -6.301 -12.559 -6.945 1.00 0.00 H new ATOM 0 HA THR A 86 -8.313 -14.669 -7.369 1.00 0.00 H new ATOM 0 HB THR A 86 -8.488 -12.873 -9.072 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.409 -14.414 -10.882 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.834 -12.760 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.181 -12.199 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.751 -13.813 -9.963 1.00 0.00 H new ATOM 1363 N ALA A 87 -5.030 -14.564 -7.708 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.829 -15.402 -7.694 1.00 0.00 C ATOM 1365 C ALA A 87 -2.708 -14.760 -6.874 1.00 0.00 C ATOM 1366 O ALA A 87 -2.441 -15.173 -5.743 1.00 0.00 O ATOM 1367 CB ALA A 87 -3.366 -15.682 -9.118 1.00 0.00 C ATOM 0 H ALA A 87 -4.845 -13.561 -7.696 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.083 -16.348 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.472 -16.306 -9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.156 -16.200 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.138 -14.741 -9.618 1.00 0.00 H new ATOM 1373 N ASN A 88 -2.058 -13.747 -7.449 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.967 -13.042 -6.772 1.00 0.00 C ATOM 1375 C ASN A 88 -1.517 -12.014 -5.782 1.00 0.00 C ATOM 1376 O ASN A 88 -2.677 -11.608 -5.879 1.00 0.00 O ATOM 1377 CB ASN A 88 -0.061 -12.350 -7.800 1.00 0.00 C ATOM 1378 CG ASN A 88 1.257 -11.878 -7.201 1.00 0.00 C ATOM 1379 OD1 ASN A 88 1.671 -12.342 -6.139 1.00 0.00 O ATOM 1380 ND2 ASN A 88 1.929 -10.951 -7.878 1.00 0.00 N ATOM 0 H ASN A 88 -2.268 -13.396 -8.383 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.380 -13.775 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.144 -13.039 -8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.588 -11.496 -8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.818 -10.602 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.555 -10.589 -8.755 1.00 0.00 H new ATOM 1387 N TYR A 89 -0.681 -11.590 -4.833 1.00 0.00 N ATOM 1388 CA TYR A 89 -1.101 -10.605 -3.839 1.00 0.00 C ATOM 1389 C TYR A 89 -0.032 -9.525 -3.635 1.00 0.00 C ATOM 1390 O TYR A 89 0.303 -9.167 -2.502 1.00 0.00 O ATOM 1391 CB TYR A 89 -1.444 -11.297 -2.511 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.873 -11.071 -2.058 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -3.528 -9.873 -2.318 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -3.565 -12.060 -1.372 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.830 -9.669 -1.908 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.871 -11.862 -0.958 1.00 0.00 C ATOM 1397 CZ TYR A 89 -5.497 -10.666 -1.229 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.796 -10.464 -0.819 1.00 0.00 O ATOM 0 H TYR A 89 0.282 -11.911 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.998 -10.110 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.270 -12.368 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.766 -10.937 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.010 -9.089 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.076 -12.999 -1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.324 -8.732 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.396 -12.641 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.407 -10.663 -1.559 1.00 0.00 H new ATOM 1408 N ASP A 90 0.481 -8.995 -4.747 1.00 0.00 N ATOM 1409 CA ASP A 90 1.491 -7.942 -4.712 1.00 0.00 C ATOM 1410 C ASP A 90 0.840 -6.603 -5.038 1.00 0.00 C ATOM 1411 O ASP A 90 0.756 -6.202 -6.199 1.00 0.00 O ATOM 1412 CB ASP A 90 2.614 -8.264 -5.703 1.00 0.00 C ATOM 1413 CG ASP A 90 3.825 -7.372 -5.537 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.449 -7.412 -4.458 1.00 0.00 O ATOM 1415 OD2 ASP A 90 4.155 -6.638 -6.492 1.00 0.00 O ATOM 0 H ASP A 90 0.210 -9.282 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 90 1.926 -7.882 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.916 -9.304 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.233 -8.164 -6.719 1.00 0.00 H new ATOM 1420 N PHE A 91 0.339 -5.939 -4.003 1.00 0.00 N ATOM 1421 CA PHE A 91 -0.357 -4.672 -4.171 1.00 0.00 C ATOM 1422 C PHE A 91 0.478 -3.459 -3.771 1.00 0.00 C ATOM 1423 O PHE A 91 1.386 -3.541 -2.943 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.676 -4.728 -3.398 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.681 -4.004 -2.092 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -1.257 -4.650 -0.954 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -2.130 -2.699 -1.999 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.278 -4.014 0.265 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -2.148 -2.050 -0.781 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.722 -2.709 0.355 1.00 0.00 C ATOM 0 H PHE A 91 0.403 -6.259 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.554 -4.537 -5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.465 -4.315 -4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.928 -5.773 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.904 -5.668 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.469 -2.184 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.948 -4.535 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.494 -1.029 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.736 -2.206 1.311 1.00 0.00 H new ATOM 1440 N VAL A 92 0.137 -2.329 -4.381 1.00 0.00 N ATOM 1441 CA VAL A 92 0.814 -1.064 -4.126 1.00 0.00 C ATOM 1442 C VAL A 92 -0.097 -0.121 -3.344 1.00 0.00 C ATOM 1443 O VAL A 92 -1.200 0.206 -3.791 1.00 0.00 O ATOM 1444 CB VAL A 92 1.247 -0.377 -5.442 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.066 0.872 -5.156 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.030 -1.342 -6.322 1.00 0.00 C ATOM 0 H VAL A 92 -0.616 -2.265 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 92 1.706 -1.285 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 92 0.347 -0.078 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.359 1.338 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.468 1.574 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.958 0.601 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.325 -0.838 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.921 -1.678 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.406 -2.202 -6.563 1.00 0.00 H new ATOM 1456 N LEU A 93 0.375 0.313 -2.182 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.384 1.222 -1.334 1.00 0.00 C ATOM 1458 C LEU A 93 0.070 2.661 -1.574 1.00 0.00 C ATOM 1459 O LEU A 93 1.034 3.130 -0.970 1.00 0.00 O ATOM 1460 CB LEU A 93 -0.208 0.831 0.138 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.811 1.803 1.147 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -2.326 1.841 1.020 1.00 0.00 C ATOM 1463 CD2 LEU A 93 -0.406 1.425 2.563 1.00 0.00 C ATOM 0 H LEU A 93 1.285 0.048 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.442 1.151 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.655 -0.151 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.857 0.732 0.346 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.424 2.799 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.735 2.541 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.599 2.163 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.732 0.846 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.846 2.130 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.761 0.419 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.680 1.454 2.651 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.620 3.350 -2.479 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.276 4.727 -2.821 1.00 0.00 C ATOM 1477 C LYS A 94 -1.222 5.725 -2.155 1.00 0.00 C ATOM 1478 O LYS A 94 -2.430 5.676 -2.366 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.309 4.909 -4.343 1.00 0.00 C ATOM 1480 CG LYS A 94 0.937 4.389 -5.043 1.00 0.00 C ATOM 1481 CD LYS A 94 0.784 4.418 -6.555 1.00 0.00 C ATOM 1482 CE LYS A 94 1.183 5.767 -7.135 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.650 5.851 -7.390 1.00 0.00 N ATOM 0 H LYS A 94 -1.421 2.977 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 94 0.730 4.924 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.183 4.395 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.430 5.968 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.797 4.993 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.139 3.369 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.399 3.635 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.250 4.199 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.642 5.936 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.888 6.559 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.874 6.766 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.164 5.766 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.936 5.080 -8.026 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.656 6.635 -1.358 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.437 7.661 -0.660 1.00 0.00 C ATOM 1499 C LYS A 95 -2.449 8.321 -1.601 1.00 0.00 C ATOM 1500 O LYS A 95 -2.186 8.490 -2.793 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.497 8.721 -0.075 1.00 0.00 C ATOM 1502 CG LYS A 95 -0.971 9.330 1.238 1.00 0.00 C ATOM 1503 CD LYS A 95 -0.002 9.031 2.372 1.00 0.00 C ATOM 1504 CE LYS A 95 0.780 10.261 2.802 1.00 0.00 C ATOM 1505 NZ LYS A 95 1.705 9.960 3.934 1.00 0.00 N ATOM 0 H LYS A 95 0.347 6.682 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.989 7.180 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.484 8.272 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.370 9.519 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.077 10.409 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.957 8.938 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.555 8.638 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.693 8.253 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.352 10.642 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.086 11.048 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.171 10.837 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.165 9.556 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.425 9.277 3.622 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.607 8.685 -1.056 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.665 9.315 -1.839 1.00 0.00 C ATOM 1521 C ARG A 96 -4.423 10.819 -1.982 1.00 0.00 C ATOM 1522 O ARG A 96 -4.950 11.623 -1.210 1.00 0.00 O ATOM 1523 CB ARG A 96 -6.026 9.046 -1.187 1.00 0.00 C ATOM 1524 CG ARG A 96 -7.212 9.504 -2.022 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.895 10.718 -1.411 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.321 10.478 -0.028 1.00 0.00 N ATOM 1527 CZ ARG A 96 -7.696 10.956 1.050 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.585 11.674 0.933 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.176 10.696 2.256 1.00 0.00 N ATOM 0 H ARG A 96 -3.836 8.553 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.660 8.882 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.121 7.977 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.060 9.548 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.876 9.745 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.930 8.689 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.213 11.568 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.762 10.987 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.153 9.906 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.198 11.867 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.119 12.032 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.020 10.133 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.702 11.059 3.083 1.00 0.00 H new ATOM 1543 N THR A 97 -3.620 11.191 -2.979 1.00 0.00 N ATOM 1544 CA THR A 97 -3.305 12.597 -3.234 1.00 0.00 C ATOM 1545 C THR A 97 -2.976 12.833 -4.711 1.00 0.00 C ATOM 1546 O THR A 97 -2.484 11.892 -5.373 1.00 0.00 O ATOM 1547 CB THR A 97 -2.138 13.054 -2.348 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.972 14.461 -2.420 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.811 12.417 -2.710 1.00 0.00 C ATOM 1550 OXT THR A 97 -3.213 13.960 -5.191 1.00 0.00 O ATOM 0 H THR A 97 -3.175 10.538 -3.624 1.00 0.00 H new ATOM 0 HA THR A 97 -4.187 13.188 -2.987 1.00 0.00 H new ATOM 0 HB THR A 97 -2.408 12.736 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.224 14.732 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.035 12.788 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.888 11.334 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.555 12.670 -3.739 1.00 0.00 H new