USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 756 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 Single : A 1 MET CE :methyl -172:sc= -0.171 (180deg=-0.415) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.0156 (180deg=-0.37) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= -0.0827 (180deg=-0.47) USER MOD Single : A 12 THR OG1 : rot -100:sc= 1.24 USER MOD Single : A 16 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.15) USER MOD Single : A 18 THR OG1 : rot -172:sc= -1.26 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= -0.739 (180deg=-0.783) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 108:sc= -0.171 USER MOD Single : A 51 HIS : no HE2:sc= -0.5 X(o=-0.5,f=-0.27) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 SER OG : rot -100:sc= 0.493 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.275 (180deg=-0.275) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.158 F(o=-2.8!,f=-0.16) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.12 F(o=-5.2!,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0346 (180deg=-0.32) USER MOD Single : A 73 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -156:sc= -0.216 (180deg=-1.02) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc=-0.00077 (180deg=-0.106) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.110 -1.955 13.440 1.00 0.00 N ATOM 2 CA MET A 1 -8.873 -0.488 13.425 1.00 0.00 C ATOM 3 C MET A 1 -8.332 -0.041 12.072 1.00 0.00 C ATOM 4 O MET A 1 -8.110 -0.860 11.181 1.00 0.00 O ATOM 5 CB MET A 1 -7.893 -0.102 14.536 1.00 0.00 C ATOM 6 CG MET A 1 -6.517 -0.731 14.381 1.00 0.00 C ATOM 7 SD MET A 1 -5.484 -0.510 15.844 1.00 0.00 S ATOM 8 CE MET A 1 -5.451 1.276 15.976 1.00 0.00 C ATOM 0 H1 MET A 1 -8.801 -2.347 14.352 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.124 -2.144 13.308 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.571 -2.402 12.671 1.00 0.00 H new ATOM 0 HA MET A 1 -9.824 0.015 13.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.787 0.983 14.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.312 -0.398 15.498 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.629 -1.796 14.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.016 -0.293 13.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.738 1.571 16.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.152 1.706 15.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.443 1.640 16.242 1.00 0.00 H new ATOM 20 N GLU A 2 -8.124 1.264 11.923 1.00 0.00 N ATOM 21 CA GLU A 2 -7.610 1.817 10.675 1.00 0.00 C ATOM 22 C GLU A 2 -6.150 1.424 10.466 1.00 0.00 C ATOM 23 O GLU A 2 -5.691 1.288 9.331 1.00 0.00 O ATOM 24 CB GLU A 2 -7.752 3.342 10.659 1.00 0.00 C ATOM 25 CG GLU A 2 -6.899 4.056 11.696 1.00 0.00 C ATOM 26 CD GLU A 2 -7.412 3.864 13.110 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.319 4.618 13.521 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.905 2.960 13.808 1.00 0.00 O ATOM 0 H GLU A 2 -8.303 1.957 12.650 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.200 1.403 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.485 3.711 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.798 3.601 10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.875 3.689 11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.871 5.121 11.466 1.00 0.00 H new ATOM 35 N SER A 3 -5.428 1.240 11.567 1.00 0.00 N ATOM 36 CA SER A 3 -4.019 0.865 11.504 1.00 0.00 C ATOM 37 C SER A 3 -3.850 -0.554 10.970 1.00 0.00 C ATOM 38 O SER A 3 -2.859 -0.865 10.309 1.00 0.00 O ATOM 39 CB SER A 3 -3.379 0.978 12.889 1.00 0.00 C ATOM 40 OG SER A 3 -2.005 0.638 12.847 1.00 0.00 O ATOM 0 H SER A 3 -5.795 1.344 12.513 1.00 0.00 H new ATOM 0 HA SER A 3 -3.520 1.551 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.493 1.995 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.898 0.321 13.587 1.00 0.00 H new ATOM 0 HG SER A 3 -1.620 0.720 13.745 1.00 0.00 H new ATOM 46 N GLU A 4 -4.821 -1.413 11.263 1.00 0.00 N ATOM 47 CA GLU A 4 -4.776 -2.802 10.814 1.00 0.00 C ATOM 48 C GLU A 4 -5.113 -2.911 9.328 1.00 0.00 C ATOM 49 O GLU A 4 -4.520 -3.711 8.606 1.00 0.00 O ATOM 50 CB GLU A 4 -5.747 -3.655 11.634 1.00 0.00 C ATOM 51 CG GLU A 4 -5.725 -5.131 11.265 1.00 0.00 C ATOM 52 CD GLU A 4 -6.662 -5.960 12.121 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.854 -6.069 11.764 1.00 0.00 O ATOM 54 OE2 GLU A 4 -6.204 -6.501 13.150 1.00 0.00 O ATOM 0 H GLU A 4 -5.648 -1.173 11.809 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.761 -3.171 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.505 -3.550 12.692 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.758 -3.271 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.001 -5.244 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.709 -5.513 11.370 1.00 0.00 H new ATOM 61 N TYR A 5 -6.065 -2.099 8.882 1.00 0.00 N ATOM 62 CA TYR A 5 -6.491 -2.102 7.486 1.00 0.00 C ATOM 63 C TYR A 5 -5.374 -1.629 6.559 1.00 0.00 C ATOM 64 O TYR A 5 -5.234 -2.122 5.440 1.00 0.00 O ATOM 65 CB TYR A 5 -7.726 -1.212 7.316 1.00 0.00 C ATOM 66 CG TYR A 5 -8.187 -1.068 5.883 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.754 -2.139 5.203 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.054 0.141 5.210 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.175 -2.009 3.894 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.475 0.278 3.901 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.035 -0.800 3.248 1.00 0.00 C ATOM 72 OH TYR A 5 -9.453 -0.668 1.944 1.00 0.00 O ATOM 0 H TYR A 5 -6.559 -1.427 9.470 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.740 -3.127 7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.542 -1.623 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.506 -0.223 7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.867 -3.088 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.615 0.987 5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.612 -2.852 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.366 1.224 3.392 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.284 0.247 1.637 1.00 0.00 H new ATOM 82 N ARG A 6 -4.582 -0.672 7.030 1.00 0.00 N ATOM 83 CA ARG A 6 -3.487 -0.126 6.237 1.00 0.00 C ATOM 84 C ARG A 6 -2.244 -1.011 6.304 1.00 0.00 C ATOM 85 O ARG A 6 -1.443 -1.039 5.372 1.00 0.00 O ATOM 86 CB ARG A 6 -3.144 1.285 6.720 1.00 0.00 C ATOM 87 CG ARG A 6 -2.614 1.331 8.145 1.00 0.00 C ATOM 88 CD ARG A 6 -2.385 2.760 8.611 1.00 0.00 C ATOM 89 NE ARG A 6 -1.753 2.814 9.927 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.904 3.825 10.779 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.669 4.861 10.460 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.287 3.802 11.953 1.00 0.00 N ATOM 0 H ARG A 6 -4.678 -0.258 7.957 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.817 -0.089 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.400 1.718 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.035 1.909 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.321 0.839 8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.679 0.774 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.759 3.281 7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.339 3.287 8.645 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.162 2.032 10.209 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.145 4.885 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.781 5.633 11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.696 3.009 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.403 4.577 12.605 1.00 0.00 H new ATOM 106 N GLU A 7 -2.091 -1.735 7.407 1.00 0.00 N ATOM 107 CA GLU A 7 -0.931 -2.600 7.597 1.00 0.00 C ATOM 108 C GLU A 7 -0.977 -3.835 6.698 1.00 0.00 C ATOM 109 O GLU A 7 -0.033 -4.108 5.957 1.00 0.00 O ATOM 110 CB GLU A 7 -0.833 -3.036 9.061 1.00 0.00 C ATOM 111 CG GLU A 7 0.404 -3.865 9.368 1.00 0.00 C ATOM 112 CD GLU A 7 0.462 -4.311 10.815 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.011 -3.558 11.647 1.00 0.00 O ATOM 114 OE2 GLU A 7 -0.040 -5.413 11.117 1.00 0.00 O ATOM 0 H GLU A 7 -2.754 -1.741 8.182 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.050 -2.021 7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.833 -2.150 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.721 -3.614 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.419 -4.742 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.295 -3.282 9.135 1.00 0.00 H new ATOM 121 N MET A 8 -2.082 -4.572 6.759 1.00 0.00 N ATOM 122 CA MET A 8 -2.233 -5.795 5.973 1.00 0.00 C ATOM 123 C MET A 8 -2.374 -5.519 4.475 1.00 0.00 C ATOM 124 O MET A 8 -1.705 -6.152 3.660 1.00 0.00 O ATOM 125 CB MET A 8 -3.438 -6.598 6.473 1.00 0.00 C ATOM 126 CG MET A 8 -4.768 -5.879 6.314 1.00 0.00 C ATOM 127 SD MET A 8 -6.137 -6.775 7.074 1.00 0.00 S ATOM 128 CE MET A 8 -6.114 -8.297 6.130 1.00 0.00 C ATOM 0 H MET A 8 -2.886 -4.345 7.344 1.00 0.00 H new ATOM 0 HA MET A 8 -1.320 -6.375 6.108 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.481 -7.544 5.933 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.290 -6.839 7.526 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.696 -4.887 6.760 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.976 -5.737 5.253 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.061 -8.821 6.261 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.969 -8.068 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.298 -8.930 6.480 1.00 0.00 H new ATOM 138 N LEU A 9 -3.235 -4.573 4.117 1.00 0.00 N ATOM 139 CA LEU A 9 -3.471 -4.244 2.712 1.00 0.00 C ATOM 140 C LEU A 9 -2.180 -3.867 1.986 1.00 0.00 C ATOM 141 O LEU A 9 -2.032 -4.139 0.795 1.00 0.00 O ATOM 142 CB LEU A 9 -4.485 -3.101 2.603 1.00 0.00 C ATOM 143 CG LEU A 9 -4.913 -2.737 1.177 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.342 -2.216 1.166 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.970 -1.702 0.580 1.00 0.00 C ATOM 0 H LEU A 9 -3.781 -4.020 4.777 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.871 -5.136 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.374 -3.371 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.060 -2.215 3.074 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.866 -3.639 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.629 -1.962 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.012 -2.984 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.410 -1.327 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.292 -1.458 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.984 -0.801 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.958 -2.106 0.552 1.00 0.00 H new ATOM 157 N LEU A 10 -1.249 -3.249 2.703 1.00 0.00 N ATOM 158 CA LEU A 10 0.014 -2.825 2.103 1.00 0.00 C ATOM 159 C LEU A 10 1.033 -3.959 2.034 1.00 0.00 C ATOM 160 O LEU A 10 1.555 -4.263 0.962 1.00 0.00 O ATOM 161 CB LEU A 10 0.600 -1.649 2.887 1.00 0.00 C ATOM 162 CG LEU A 10 -0.164 -0.332 2.748 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.390 0.702 3.712 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.096 0.183 1.317 1.00 0.00 C ATOM 0 H LEU A 10 -1.342 -3.030 3.695 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.203 -2.517 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.639 -1.919 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.628 -1.491 2.561 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.210 -0.514 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.163 1.635 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.288 0.338 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.443 0.877 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.646 1.121 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.945 0.350 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.538 -0.552 0.644 1.00 0.00 H new ATOM 176 N LEU A 11 1.314 -4.582 3.175 1.00 0.00 N ATOM 177 CA LEU A 11 2.295 -5.664 3.230 1.00 0.00 C ATOM 178 C LEU A 11 1.924 -6.815 2.295 1.00 0.00 C ATOM 179 O LEU A 11 2.791 -7.573 1.862 1.00 0.00 O ATOM 180 CB LEU A 11 2.456 -6.169 4.669 1.00 0.00 C ATOM 181 CG LEU A 11 1.361 -7.116 5.174 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.694 -8.563 4.839 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.168 -6.951 6.674 1.00 0.00 C ATOM 0 H LEU A 11 0.879 -4.359 4.070 1.00 0.00 H new ATOM 0 HA LEU A 11 3.249 -5.261 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.416 -6.679 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.498 -5.306 5.334 1.00 0.00 H new ATOM 0 HG LEU A 11 0.430 -6.857 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.901 -9.214 5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.782 -8.675 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.638 -8.838 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.387 -7.630 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.101 -7.181 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.877 -5.924 6.893 1.00 0.00 H new ATOM 195 N THR A 12 0.638 -6.942 1.985 1.00 0.00 N ATOM 196 CA THR A 12 0.168 -8.009 1.104 1.00 0.00 C ATOM 197 C THR A 12 0.562 -7.750 -0.347 1.00 0.00 C ATOM 198 O THR A 12 0.235 -8.537 -1.237 1.00 0.00 O ATOM 199 CB THR A 12 -1.360 -8.179 1.187 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.002 -6.899 1.124 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.758 -8.893 2.472 1.00 0.00 C ATOM 0 H THR A 12 -0.096 -6.323 2.328 1.00 0.00 H new ATOM 0 HA THR A 12 0.647 -8.926 1.446 1.00 0.00 H new ATOM 0 HB THR A 12 -1.681 -8.786 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.251 -6.613 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.842 -9.001 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.294 -9.879 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.423 -8.311 3.330 1.00 0.00 H new ATOM 209 N GLY A 13 1.266 -6.646 -0.581 1.00 0.00 N ATOM 210 CA GLY A 13 1.692 -6.307 -1.926 1.00 0.00 C ATOM 211 C GLY A 13 3.197 -6.151 -2.040 1.00 0.00 C ATOM 212 O GLY A 13 3.811 -6.670 -2.973 1.00 0.00 O ATOM 0 H GLY A 13 1.549 -5.980 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.358 -7.082 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.210 -5.379 -2.233 1.00 0.00 H new ATOM 216 N LEU A 14 3.793 -5.434 -1.090 1.00 0.00 N ATOM 217 CA LEU A 14 5.237 -5.211 -1.089 1.00 0.00 C ATOM 218 C LEU A 14 5.994 -6.522 -0.899 1.00 0.00 C ATOM 219 O LEU A 14 6.861 -6.873 -1.700 1.00 0.00 O ATOM 220 CB LEU A 14 5.636 -4.227 0.021 1.00 0.00 C ATOM 221 CG LEU A 14 5.269 -2.754 -0.215 1.00 0.00 C ATOM 222 CD1 LEU A 14 5.810 -2.264 -1.550 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.764 -2.554 -0.145 1.00 0.00 C ATOM 0 H LEU A 14 3.299 -4.998 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 14 5.503 -4.786 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.169 -4.552 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.714 -4.293 0.166 1.00 0.00 H new ATOM 0 HG LEU A 14 5.731 -2.164 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.536 -1.219 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.896 -2.359 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.386 -2.863 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.528 -1.503 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.280 -3.163 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.403 -2.852 0.839 1.00 0.00 H new ATOM 235 N ASP A 15 5.659 -7.243 0.166 1.00 0.00 N ATOM 236 CA ASP A 15 6.316 -8.508 0.477 1.00 0.00 C ATOM 237 C ASP A 15 5.981 -9.584 -0.554 1.00 0.00 C ATOM 238 O ASP A 15 6.638 -10.624 -0.608 1.00 0.00 O ATOM 239 CB ASP A 15 5.913 -8.981 1.875 1.00 0.00 C ATOM 240 CG ASP A 15 6.678 -10.217 2.309 1.00 0.00 C ATOM 241 OD1 ASP A 15 6.230 -11.336 1.985 1.00 0.00 O ATOM 242 OD2 ASP A 15 7.723 -10.064 2.975 1.00 0.00 O ATOM 0 H ASP A 15 4.934 -6.972 0.830 1.00 0.00 H new ATOM 0 HA ASP A 15 7.392 -8.339 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.088 -8.178 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.844 -9.195 1.890 1.00 0.00 H new ATOM 247 N HIS A 16 4.962 -9.335 -1.369 1.00 0.00 N ATOM 248 CA HIS A 16 4.553 -10.296 -2.388 1.00 0.00 C ATOM 249 C HIS A 16 5.349 -10.105 -3.677 1.00 0.00 C ATOM 250 O HIS A 16 5.614 -11.066 -4.399 1.00 0.00 O ATOM 251 CB HIS A 16 3.057 -10.169 -2.678 1.00 0.00 C ATOM 252 CG HIS A 16 2.556 -11.176 -3.667 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.441 -10.934 -5.019 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.141 -12.455 -3.481 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.970 -12.048 -5.597 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.773 -13.000 -4.707 1.00 0.00 N ATOM 0 H HIS A 16 4.406 -8.480 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 16 4.757 -11.295 -2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.503 -10.279 -1.746 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.851 -9.167 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.103 -12.968 -2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.777 -12.152 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.423 -13.942 -4.881 1.00 0.00 H new ATOM 264 N ILE A 17 5.728 -8.863 -3.960 1.00 0.00 N ATOM 265 CA ILE A 17 6.488 -8.556 -5.166 1.00 0.00 C ATOM 266 C ILE A 17 7.991 -8.629 -4.911 1.00 0.00 C ATOM 267 O ILE A 17 8.429 -8.775 -3.769 1.00 0.00 O ATOM 268 CB ILE A 17 6.132 -7.159 -5.714 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.449 -6.078 -4.677 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.663 -7.110 -6.106 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.270 -4.667 -5.197 1.00 0.00 C ATOM 0 H ILE A 17 5.522 -8.055 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 17 6.218 -9.308 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 17 6.736 -6.967 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.806 -6.220 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.477 -6.203 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.422 -6.119 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.467 -7.857 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.046 -7.319 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.512 -3.955 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.933 -4.506 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.236 -4.523 -5.510 1.00 0.00 H new ATOM 283 N THR A 18 8.775 -8.525 -5.982 1.00 0.00 N ATOM 284 CA THR A 18 10.229 -8.582 -5.875 1.00 0.00 C ATOM 285 C THR A 18 10.800 -7.241 -5.428 1.00 0.00 C ATOM 286 O THR A 18 10.092 -6.235 -5.394 1.00 0.00 O ATOM 287 CB THR A 18 10.879 -8.985 -7.212 1.00 0.00 C ATOM 288 OG1 THR A 18 10.582 -8.007 -8.215 1.00 0.00 O ATOM 289 CG2 THR A 18 10.381 -10.349 -7.667 1.00 0.00 C ATOM 0 H THR A 18 8.427 -8.401 -6.933 1.00 0.00 H new ATOM 0 HA THR A 18 10.460 -9.340 -5.127 1.00 0.00 H new ATOM 0 HB THR A 18 11.958 -9.039 -7.064 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.889 -8.330 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.854 -10.612 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.632 -11.097 -6.915 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.300 -10.316 -7.799 1.00 0.00 H new ATOM 297 N GLU A 19 12.088 -7.234 -5.093 1.00 0.00 N ATOM 298 CA GLU A 19 12.758 -6.019 -4.640 1.00 0.00 C ATOM 299 C GLU A 19 12.765 -4.947 -5.726 1.00 0.00 C ATOM 300 O GLU A 19 12.479 -3.780 -5.457 1.00 0.00 O ATOM 301 CB GLU A 19 14.194 -6.331 -4.211 1.00 0.00 C ATOM 302 CG GLU A 19 14.288 -7.091 -2.896 1.00 0.00 C ATOM 303 CD GLU A 19 13.636 -8.458 -2.960 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.323 -9.426 -3.348 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.438 -8.561 -2.619 1.00 0.00 O ATOM 0 H GLU A 19 12.689 -8.058 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 19 12.201 -5.635 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.679 -6.915 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.748 -5.397 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.337 -7.206 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.815 -6.505 -2.108 1.00 0.00 H new ATOM 312 N GLU A 20 13.096 -5.346 -6.951 1.00 0.00 N ATOM 313 CA GLU A 20 13.143 -4.411 -8.070 1.00 0.00 C ATOM 314 C GLU A 20 11.794 -3.724 -8.266 1.00 0.00 C ATOM 315 O GLU A 20 11.731 -2.575 -8.701 1.00 0.00 O ATOM 316 CB GLU A 20 13.550 -5.134 -9.356 1.00 0.00 C ATOM 317 CG GLU A 20 12.613 -6.267 -9.741 1.00 0.00 C ATOM 318 CD GLU A 20 13.013 -6.938 -11.040 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.842 -7.872 -10.995 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.499 -6.530 -12.103 1.00 0.00 O ATOM 0 H GLU A 20 13.335 -6.308 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 20 13.889 -3.650 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.588 -4.412 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.557 -5.532 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.599 -7.009 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.599 -5.879 -9.834 1.00 0.00 H new ATOM 327 N GLU A 21 10.719 -4.436 -7.942 1.00 0.00 N ATOM 328 CA GLU A 21 9.373 -3.895 -8.084 1.00 0.00 C ATOM 329 C GLU A 21 9.048 -2.928 -6.948 1.00 0.00 C ATOM 330 O GLU A 21 8.262 -1.997 -7.119 1.00 0.00 O ATOM 331 CB GLU A 21 8.347 -5.030 -8.120 1.00 0.00 C ATOM 332 CG GLU A 21 8.493 -5.944 -9.326 1.00 0.00 C ATOM 333 CD GLU A 21 8.260 -5.221 -10.638 1.00 0.00 C ATOM 334 OE1 GLU A 21 9.238 -4.687 -11.203 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.102 -5.189 -11.102 1.00 0.00 O ATOM 0 H GLU A 21 10.755 -5.389 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 21 9.327 -3.344 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.442 -5.624 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.344 -4.602 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.492 -6.380 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.786 -6.769 -9.240 1.00 0.00 H new ATOM 342 N LEU A 22 9.659 -3.157 -5.788 1.00 0.00 N ATOM 343 CA LEU A 22 9.438 -2.304 -4.621 1.00 0.00 C ATOM 344 C LEU A 22 9.794 -0.852 -4.923 1.00 0.00 C ATOM 345 O LEU A 22 9.076 0.068 -4.532 1.00 0.00 O ATOM 346 CB LEU A 22 10.268 -2.800 -3.432 1.00 0.00 C ATOM 347 CG LEU A 22 9.913 -4.199 -2.923 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.876 -4.628 -1.828 1.00 0.00 C ATOM 349 CD2 LEU A 22 8.481 -4.233 -2.414 1.00 0.00 C ATOM 0 H LEU A 22 10.311 -3.925 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 22 8.379 -2.356 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.320 -2.791 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.154 -2.093 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 22 10.001 -4.899 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.608 -5.625 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.892 -4.642 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.819 -3.925 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.246 -5.235 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.368 -3.520 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.801 -3.968 -3.223 1.00 0.00 H new ATOM 361 N LYS A 23 10.911 -0.655 -5.617 1.00 0.00 N ATOM 362 CA LYS A 23 11.373 0.685 -5.967 1.00 0.00 C ATOM 363 C LYS A 23 10.437 1.353 -6.969 1.00 0.00 C ATOM 364 O LYS A 23 10.171 2.552 -6.877 1.00 0.00 O ATOM 365 CB LYS A 23 12.787 0.618 -6.544 1.00 0.00 C ATOM 366 CG LYS A 23 13.821 0.089 -5.564 1.00 0.00 C ATOM 367 CD LYS A 23 15.155 -0.176 -6.247 1.00 0.00 C ATOM 368 CE LYS A 23 15.760 1.100 -6.811 1.00 0.00 C ATOM 369 NZ LYS A 23 17.080 0.851 -7.455 1.00 0.00 N ATOM 0 H LYS A 23 11.514 -1.408 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 23 11.379 1.285 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.779 -0.018 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.085 1.615 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.961 0.809 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.455 -0.832 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.847 -0.623 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.015 -0.899 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.076 1.534 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.878 1.830 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.459 1.745 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.740 0.460 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.963 0.174 -8.235 1.00 0.00 H new ATOM 383 N ARG A 24 9.944 0.574 -7.925 1.00 0.00 N ATOM 384 CA ARG A 24 9.044 1.095 -8.949 1.00 0.00 C ATOM 385 C ARG A 24 7.787 1.702 -8.330 1.00 0.00 C ATOM 386 O ARG A 24 7.352 2.783 -8.726 1.00 0.00 O ATOM 387 CB ARG A 24 8.653 -0.016 -9.925 1.00 0.00 C ATOM 388 CG ARG A 24 9.834 -0.626 -10.662 1.00 0.00 C ATOM 389 CD ARG A 24 9.375 -1.605 -11.729 1.00 0.00 C ATOM 390 NE ARG A 24 10.499 -2.267 -12.388 1.00 0.00 N ATOM 391 CZ ARG A 24 10.392 -2.943 -13.528 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.219 -3.034 -14.144 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.456 -3.528 -14.057 1.00 0.00 N ATOM 0 H ARG A 24 10.152 -0.421 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 24 9.574 1.881 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.133 -0.802 -9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.949 0.384 -10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.426 0.165 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.483 -1.138 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.727 -2.356 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.779 -1.076 -12.473 1.00 0.00 H new ATOM 0 HE ARG A 24 11.418 -2.207 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.396 -2.584 -13.743 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.141 -3.553 -15.018 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.360 -3.461 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.371 -4.046 -14.932 1.00 0.00 H new ATOM 407 N PHE A 25 7.211 1.004 -7.357 1.00 0.00 N ATOM 408 CA PHE A 25 6.000 1.474 -6.691 1.00 0.00 C ATOM 409 C PHE A 25 6.253 2.766 -5.917 1.00 0.00 C ATOM 410 O PHE A 25 5.586 3.775 -6.145 1.00 0.00 O ATOM 411 CB PHE A 25 5.462 0.397 -5.746 1.00 0.00 C ATOM 412 CG PHE A 25 4.233 0.820 -4.990 1.00 0.00 C ATOM 413 CD1 PHE A 25 2.994 0.834 -5.608 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.320 1.207 -3.662 1.00 0.00 C ATOM 415 CE1 PHE A 25 1.864 1.226 -4.917 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.193 1.600 -2.965 1.00 0.00 C ATOM 417 CZ PHE A 25 1.964 1.610 -3.594 1.00 0.00 C ATOM 0 H PHE A 25 7.563 0.111 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 25 5.257 1.681 -7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.233 -0.499 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.242 0.128 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.910 0.535 -6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.279 1.201 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.903 1.232 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.274 1.899 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.082 1.918 -3.052 1.00 0.00 H new ATOM 427 N LYS A 26 7.219 2.726 -5.003 1.00 0.00 N ATOM 428 CA LYS A 26 7.551 3.891 -4.188 1.00 0.00 C ATOM 429 C LYS A 26 7.916 5.099 -5.049 1.00 0.00 C ATOM 430 O LYS A 26 7.586 6.235 -4.707 1.00 0.00 O ATOM 431 CB LYS A 26 8.707 3.563 -3.241 1.00 0.00 C ATOM 432 CG LYS A 26 8.329 2.596 -2.130 1.00 0.00 C ATOM 433 CD LYS A 26 9.510 2.301 -1.221 1.00 0.00 C ATOM 434 CE LYS A 26 9.094 1.466 -0.021 1.00 0.00 C ATOM 435 NZ LYS A 26 8.485 0.170 -0.428 1.00 0.00 N ATOM 0 H LYS A 26 7.785 1.900 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 26 6.665 4.147 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.528 3.137 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.075 4.488 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.513 3.017 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.962 1.666 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.280 1.773 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.950 3.238 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.964 1.276 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.381 2.028 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.278 -0.397 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.603 0.349 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.148 -0.349 -1.038 1.00 0.00 H new ATOM 449 N TYR A 27 8.597 4.851 -6.162 1.00 0.00 N ATOM 450 CA TYR A 27 9.009 5.926 -7.060 1.00 0.00 C ATOM 451 C TYR A 27 7.820 6.498 -7.827 1.00 0.00 C ATOM 452 O TYR A 27 7.843 7.655 -8.249 1.00 0.00 O ATOM 453 CB TYR A 27 10.064 5.421 -8.049 1.00 0.00 C ATOM 454 CG TYR A 27 10.581 6.495 -8.982 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.558 7.389 -8.567 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.087 6.614 -10.275 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.030 8.374 -9.414 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.553 7.596 -11.128 1.00 0.00 C ATOM 459 CZ TYR A 27 11.524 8.473 -10.693 1.00 0.00 C ATOM 460 OH TYR A 27 11.988 9.453 -11.538 1.00 0.00 O ATOM 0 H TYR A 27 8.875 3.918 -6.465 1.00 0.00 H new ATOM 0 HA TYR A 27 9.437 6.720 -6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.901 5.001 -7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.637 4.611 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.956 7.314 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.327 5.928 -10.619 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.791 9.062 -9.076 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.159 7.676 -12.130 1.00 0.00 H new ATOM 0 HH TYR A 27 11.530 9.384 -12.401 1.00 0.00 H new ATOM 470 N PHE A 28 6.784 5.688 -8.001 1.00 0.00 N ATOM 471 CA PHE A 28 5.599 6.117 -8.735 1.00 0.00 C ATOM 472 C PHE A 28 4.713 7.026 -7.886 1.00 0.00 C ATOM 473 O PHE A 28 4.390 8.142 -8.290 1.00 0.00 O ATOM 474 CB PHE A 28 4.803 4.902 -9.208 1.00 0.00 C ATOM 475 CG PHE A 28 4.004 5.164 -10.452 1.00 0.00 C ATOM 476 CD1 PHE A 28 4.583 5.018 -11.702 1.00 0.00 C ATOM 477 CD2 PHE A 28 2.679 5.559 -10.372 1.00 0.00 C ATOM 478 CE1 PHE A 28 3.853 5.260 -12.850 1.00 0.00 C ATOM 479 CE2 PHE A 28 1.945 5.803 -11.518 1.00 0.00 C ATOM 480 CZ PHE A 28 2.533 5.653 -12.758 1.00 0.00 C ATOM 0 H PHE A 28 6.739 4.733 -7.645 1.00 0.00 H new ATOM 0 HA PHE A 28 5.933 6.688 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.490 4.076 -9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.129 4.585 -8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.616 4.712 -11.780 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.214 5.678 -9.404 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.315 5.142 -13.819 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.912 6.111 -11.443 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.961 5.843 -13.654 1.00 0.00 H new ATOM 490 N ALA A 29 4.320 6.544 -6.710 1.00 0.00 N ATOM 491 CA ALA A 29 3.465 7.319 -5.815 1.00 0.00 C ATOM 492 C ALA A 29 4.224 8.489 -5.197 1.00 0.00 C ATOM 493 O ALA A 29 3.767 9.632 -5.245 1.00 0.00 O ATOM 494 CB ALA A 29 2.901 6.426 -4.720 1.00 0.00 C ATOM 0 H ALA A 29 4.579 5.623 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 29 2.643 7.724 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.266 7.017 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.313 5.626 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.720 5.995 -4.144 1.00 0.00 H new ATOM 500 N LEU A 30 5.385 8.197 -4.620 1.00 0.00 N ATOM 501 CA LEU A 30 6.204 9.223 -3.985 1.00 0.00 C ATOM 502 C LEU A 30 7.268 9.742 -4.945 1.00 0.00 C ATOM 503 O LEU A 30 8.368 9.193 -5.028 1.00 0.00 O ATOM 504 CB LEU A 30 6.864 8.653 -2.728 1.00 0.00 C ATOM 505 CG LEU A 30 5.925 7.869 -1.807 1.00 0.00 C ATOM 506 CD1 LEU A 30 6.715 7.153 -0.724 1.00 0.00 C ATOM 507 CD2 LEU A 30 4.888 8.794 -1.188 1.00 0.00 C ATOM 0 H LEU A 30 5.780 7.258 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 30 5.560 10.058 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.683 8.000 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.303 9.474 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 30 5.404 7.121 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.031 6.601 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.418 6.459 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.263 7.884 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.230 8.219 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.391 9.566 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.299 9.261 -1.978 1.00 0.00 H new ATOM 519 N THR A 31 6.930 10.799 -5.678 1.00 0.00 N ATOM 520 CA THR A 31 7.851 11.392 -6.640 1.00 0.00 C ATOM 521 C THR A 31 8.686 12.507 -6.017 1.00 0.00 C ATOM 522 O THR A 31 9.909 12.532 -6.156 1.00 0.00 O ATOM 523 CB THR A 31 7.098 11.956 -7.856 1.00 0.00 C ATOM 524 OG1 THR A 31 6.184 12.976 -7.438 1.00 0.00 O ATOM 525 CG2 THR A 31 6.337 10.852 -8.571 1.00 0.00 C ATOM 0 H THR A 31 6.023 11.263 -5.623 1.00 0.00 H new ATOM 0 HA THR A 31 8.517 10.591 -6.961 1.00 0.00 H new ATOM 0 HB THR A 31 7.827 12.384 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.710 13.331 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.810 11.270 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.037 10.089 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.617 10.404 -7.886 1.00 0.00 H new ATOM 533 N GLU A 32 8.017 13.427 -5.330 1.00 0.00 N ATOM 534 CA GLU A 32 8.693 14.557 -4.701 1.00 0.00 C ATOM 535 C GLU A 32 9.045 14.257 -3.246 1.00 0.00 C ATOM 536 O GLU A 32 9.793 15.004 -2.614 1.00 0.00 O ATOM 537 CB GLU A 32 7.813 15.808 -4.781 1.00 0.00 C ATOM 538 CG GLU A 32 8.492 17.071 -4.279 1.00 0.00 C ATOM 539 CD GLU A 32 9.764 17.390 -5.041 1.00 0.00 C ATOM 540 OE1 GLU A 32 9.675 18.062 -6.090 1.00 0.00 O ATOM 541 OE2 GLU A 32 10.849 16.969 -4.589 1.00 0.00 O ATOM 0 H GLU A 32 7.006 13.413 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 32 9.623 14.734 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.506 15.959 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.906 15.640 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.801 17.910 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.725 16.958 -3.220 1.00 0.00 H new ATOM 548 N PHE A 33 8.511 13.162 -2.718 1.00 0.00 N ATOM 549 CA PHE A 33 8.780 12.785 -1.334 1.00 0.00 C ATOM 550 C PHE A 33 10.122 12.071 -1.211 1.00 0.00 C ATOM 551 O PHE A 33 10.737 12.071 -0.143 1.00 0.00 O ATOM 552 CB PHE A 33 7.664 11.889 -0.794 1.00 0.00 C ATOM 553 CG PHE A 33 6.322 12.564 -0.739 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.081 13.582 0.171 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.304 12.184 -1.598 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.850 14.206 0.224 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.070 12.805 -1.550 1.00 0.00 C ATOM 558 CZ PHE A 33 3.842 13.817 -0.638 1.00 0.00 C ATOM 0 H PHE A 33 7.894 12.524 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 33 8.819 13.700 -0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.589 11.000 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.933 11.552 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.865 13.891 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.476 11.394 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.675 14.997 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.285 12.499 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.878 14.303 -0.599 1.00 0.00 H new ATOM 568 N GLN A 34 10.576 11.479 -2.314 1.00 0.00 N ATOM 569 CA GLN A 34 11.848 10.761 -2.341 1.00 0.00 C ATOM 570 C GLN A 34 12.022 9.898 -1.091 1.00 0.00 C ATOM 571 O GLN A 34 12.893 10.161 -0.260 1.00 0.00 O ATOM 572 CB GLN A 34 13.012 11.748 -2.459 1.00 0.00 C ATOM 573 CG GLN A 34 12.931 12.642 -3.687 1.00 0.00 C ATOM 574 CD GLN A 34 14.117 13.582 -3.809 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.675 13.987 -2.674 1.00 0.00 O flip ATOM 576 NE2 GLN A 34 14.524 13.944 -4.913 1.00 0.00 N flip ATOM 0 H GLN A 34 10.079 11.483 -3.205 1.00 0.00 H new ATOM 0 HA GLN A 34 11.844 10.105 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.039 12.373 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.948 11.191 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.873 12.020 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.012 13.227 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.066 13.609 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.319 14.579 -4.980 1.00 0.00 H new ATOM 585 N ILE A 35 11.184 8.874 -0.961 1.00 0.00 N ATOM 586 CA ILE A 35 11.247 7.979 0.187 1.00 0.00 C ATOM 587 C ILE A 35 12.585 7.245 0.233 1.00 0.00 C ATOM 588 O ILE A 35 13.145 6.891 -0.805 1.00 0.00 O ATOM 589 CB ILE A 35 10.089 6.958 0.162 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.957 6.256 1.516 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.296 5.939 -0.952 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.620 5.570 1.715 1.00 0.00 C ATOM 0 H ILE A 35 10.455 8.644 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 35 11.151 8.591 1.084 1.00 0.00 H new ATOM 0 HB ILE A 35 9.163 7.498 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.753 5.518 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.103 6.987 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.470 5.228 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.334 6.453 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.233 5.406 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.598 5.094 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.820 6.307 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.480 4.815 0.942 1.00 0.00 H new ATOM 604 N ALA A 36 13.096 7.029 1.441 1.00 0.00 N ATOM 605 CA ALA A 36 14.372 6.345 1.621 1.00 0.00 C ATOM 606 C ALA A 36 14.304 4.901 1.134 1.00 0.00 C ATOM 607 O ALA A 36 13.414 4.143 1.521 1.00 0.00 O ATOM 608 CB ALA A 36 14.794 6.393 3.082 1.00 0.00 C ATOM 0 H ALA A 36 12.646 7.318 2.310 1.00 0.00 H new ATOM 0 HA ALA A 36 15.118 6.864 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.748 5.879 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.899 7.431 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.038 5.903 3.695 1.00 0.00 H new ATOM 614 N ARG A 37 15.250 4.529 0.277 1.00 0.00 N ATOM 615 CA ARG A 37 15.310 3.177 -0.270 1.00 0.00 C ATOM 616 C ARG A 37 15.634 2.152 0.817 1.00 0.00 C ATOM 617 O ARG A 37 15.157 1.019 0.774 1.00 0.00 O ATOM 618 CB ARG A 37 16.368 3.107 -1.375 1.00 0.00 C ATOM 619 CG ARG A 37 16.677 1.693 -1.842 1.00 0.00 C ATOM 620 CD ARG A 37 17.953 1.643 -2.663 1.00 0.00 C ATOM 621 NE ARG A 37 19.073 2.279 -1.974 1.00 0.00 N ATOM 622 CZ ARG A 37 20.300 2.367 -2.479 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.568 1.861 -3.676 1.00 0.00 N ATOM 624 NH2 ARG A 37 21.261 2.962 -1.786 1.00 0.00 N ATOM 0 H ARG A 37 15.989 5.148 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 37 14.330 2.938 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.028 3.695 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.287 3.569 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.774 1.036 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.845 1.316 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.204 0.605 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.788 2.138 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 37 18.904 2.679 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.832 1.402 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.510 1.931 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.059 3.352 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.202 3.029 -2.173 1.00 0.00 H new ATOM 638 N SER A 38 16.448 2.558 1.783 1.00 0.00 N ATOM 639 CA SER A 38 16.852 1.673 2.872 1.00 0.00 C ATOM 640 C SER A 38 15.649 1.134 3.644 1.00 0.00 C ATOM 641 O SER A 38 15.702 0.040 4.205 1.00 0.00 O ATOM 642 CB SER A 38 17.791 2.411 3.827 1.00 0.00 C ATOM 643 OG SER A 38 17.152 3.542 4.395 1.00 0.00 O ATOM 0 H SER A 38 16.843 3.497 1.836 1.00 0.00 H new ATOM 0 HA SER A 38 17.372 0.824 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.114 1.736 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.687 2.726 3.291 1.00 0.00 H new ATOM 0 HG SER A 38 17.771 3.997 5.003 1.00 0.00 H new ATOM 649 N THR A 39 14.567 1.906 3.668 1.00 0.00 N ATOM 650 CA THR A 39 13.358 1.512 4.386 1.00 0.00 C ATOM 651 C THR A 39 12.781 0.200 3.863 1.00 0.00 C ATOM 652 O THR A 39 11.994 -0.449 4.546 1.00 0.00 O ATOM 653 CB THR A 39 12.269 2.596 4.295 1.00 0.00 C ATOM 654 OG1 THR A 39 11.796 2.706 2.947 1.00 0.00 O ATOM 655 CG2 THR A 39 12.805 3.941 4.759 1.00 0.00 C ATOM 0 H THR A 39 14.502 2.809 3.198 1.00 0.00 H new ATOM 0 HA THR A 39 13.658 1.379 5.426 1.00 0.00 H new ATOM 0 HB THR A 39 11.445 2.306 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.326 3.377 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.018 4.691 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.137 3.863 5.794 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.645 4.234 4.130 1.00 0.00 H new ATOM 663 N LEU A 40 13.182 -0.187 2.654 1.00 0.00 N ATOM 664 CA LEU A 40 12.690 -1.418 2.031 1.00 0.00 C ATOM 665 C LEU A 40 12.808 -2.626 2.963 1.00 0.00 C ATOM 666 O LEU A 40 12.184 -3.660 2.724 1.00 0.00 O ATOM 667 CB LEU A 40 13.444 -1.693 0.728 1.00 0.00 C ATOM 668 CG LEU A 40 12.720 -1.253 -0.548 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.544 0.257 -0.580 1.00 0.00 C ATOM 670 CD2 LEU A 40 13.477 -1.728 -1.779 1.00 0.00 C ATOM 0 H LEU A 40 13.848 0.334 2.084 1.00 0.00 H new ATOM 0 HA LEU A 40 11.632 -1.268 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.409 -1.188 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.646 -2.762 0.662 1.00 0.00 H new ATOM 0 HG LEU A 40 11.730 -1.709 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.027 0.544 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.957 0.573 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.522 0.738 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.949 -1.407 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.480 -1.302 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.545 -2.816 -1.767 1.00 0.00 H new ATOM 682 N ASP A 41 13.608 -2.498 4.018 1.00 0.00 N ATOM 683 CA ASP A 41 13.789 -3.587 4.974 1.00 0.00 C ATOM 684 C ASP A 41 12.450 -4.011 5.580 1.00 0.00 C ATOM 685 O ASP A 41 12.099 -5.191 5.570 1.00 0.00 O ATOM 686 CB ASP A 41 14.754 -3.163 6.082 1.00 0.00 C ATOM 687 CG ASP A 41 15.122 -4.312 7.000 1.00 0.00 C ATOM 688 OD1 ASP A 41 16.097 -5.029 6.694 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.434 -4.494 8.027 1.00 0.00 O ATOM 0 H ASP A 41 14.140 -1.654 4.232 1.00 0.00 H new ATOM 0 HA ASP A 41 14.210 -4.440 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.660 -2.755 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.301 -2.364 6.669 1.00 0.00 H new ATOM 694 N VAL A 42 11.710 -3.038 6.105 1.00 0.00 N ATOM 695 CA VAL A 42 10.407 -3.298 6.715 1.00 0.00 C ATOM 696 C VAL A 42 9.366 -2.308 6.204 1.00 0.00 C ATOM 697 O VAL A 42 8.287 -2.171 6.781 1.00 0.00 O ATOM 698 CB VAL A 42 10.468 -3.202 8.250 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.229 -4.383 8.834 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.100 -1.888 8.678 1.00 0.00 C ATOM 0 H VAL A 42 11.991 -2.058 6.121 1.00 0.00 H new ATOM 0 HA VAL A 42 10.124 -4.313 6.436 1.00 0.00 H new ATOM 0 HB VAL A 42 9.449 -3.232 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.260 -4.295 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.727 -5.311 8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.246 -4.391 8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.134 -1.838 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.113 -1.824 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.507 -1.057 8.295 1.00 0.00 H new ATOM 710 N ALA A 43 9.709 -1.624 5.119 1.00 0.00 N ATOM 711 CA ALA A 43 8.833 -0.627 4.512 1.00 0.00 C ATOM 712 C ALA A 43 7.381 -1.076 4.462 1.00 0.00 C ATOM 713 O ALA A 43 6.477 -0.309 4.767 1.00 0.00 O ATOM 714 CB ALA A 43 9.320 -0.288 3.111 1.00 0.00 C ATOM 0 H ALA A 43 10.599 -1.744 4.636 1.00 0.00 H new ATOM 0 HA ALA A 43 8.874 0.260 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.660 0.457 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.333 0.111 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.317 -1.188 2.497 1.00 0.00 H new ATOM 720 N ASP A 44 7.155 -2.331 4.137 1.00 0.00 N ATOM 721 CA ASP A 44 5.794 -2.821 4.007 1.00 0.00 C ATOM 722 C ASP A 44 4.972 -2.623 5.282 1.00 0.00 C ATOM 723 O ASP A 44 3.888 -2.043 5.227 1.00 0.00 O ATOM 724 CB ASP A 44 5.807 -4.301 3.620 1.00 0.00 C ATOM 725 CG ASP A 44 6.666 -5.142 4.546 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.887 -4.895 4.612 1.00 0.00 O ATOM 727 OD2 ASP A 44 6.115 -6.050 5.202 1.00 0.00 O ATOM 0 H ASP A 44 7.882 -3.024 3.960 1.00 0.00 H new ATOM 0 HA ASP A 44 5.316 -2.235 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.787 -4.684 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.175 -4.402 2.599 1.00 0.00 H new ATOM 732 N ARG A 45 5.469 -3.091 6.422 1.00 0.00 N ATOM 733 CA ARG A 45 4.710 -2.953 7.665 1.00 0.00 C ATOM 734 C ARG A 45 4.797 -1.568 8.328 1.00 0.00 C ATOM 735 O ARG A 45 3.798 -0.858 8.438 1.00 0.00 O ATOM 736 CB ARG A 45 5.179 -4.005 8.673 1.00 0.00 C ATOM 737 CG ARG A 45 5.482 -5.357 8.053 1.00 0.00 C ATOM 738 CD ARG A 45 5.767 -6.406 9.116 1.00 0.00 C ATOM 739 NE ARG A 45 6.916 -6.049 9.943 1.00 0.00 N ATOM 740 CZ ARG A 45 7.608 -6.927 10.662 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.267 -8.209 10.655 1.00 0.00 N ATOM 742 NH2 ARG A 45 8.641 -6.524 11.389 1.00 0.00 N ATOM 0 H ARG A 45 6.371 -3.558 6.515 1.00 0.00 H new ATOM 0 HA ARG A 45 3.667 -3.094 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.073 -3.638 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.412 -4.130 9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.637 -5.676 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.341 -5.269 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.888 -6.528 9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.950 -7.368 8.636 1.00 0.00 H new ATOM 0 HE ARG A 45 7.204 -5.071 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.473 -8.522 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.799 -8.881 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.906 -5.539 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.171 -7.199 11.940 1.00 0.00 H new ATOM 756 N THR A 46 6.004 -1.200 8.764 1.00 0.00 N ATOM 757 CA THR A 46 6.222 0.055 9.500 1.00 0.00 C ATOM 758 C THR A 46 6.427 1.341 8.683 1.00 0.00 C ATOM 759 O THR A 46 5.679 2.305 8.839 1.00 0.00 O ATOM 760 CB THR A 46 7.422 -0.090 10.453 1.00 0.00 C ATOM 761 OG1 THR A 46 8.595 -0.448 9.713 1.00 0.00 O ATOM 762 CG2 THR A 46 7.147 -1.144 11.515 1.00 0.00 C ATOM 0 H THR A 46 6.849 -1.752 8.621 1.00 0.00 H new ATOM 0 HA THR A 46 5.270 0.193 10.013 1.00 0.00 H new ATOM 0 HB THR A 46 7.582 0.868 10.947 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.204 0.319 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.010 -1.228 12.176 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.271 -0.855 12.096 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.963 -2.105 11.035 1.00 0.00 H new ATOM 770 N GLU A 47 7.439 1.346 7.816 1.00 0.00 N ATOM 771 CA GLU A 47 7.823 2.560 7.080 1.00 0.00 C ATOM 772 C GLU A 47 6.842 3.044 6.009 1.00 0.00 C ATOM 773 O GLU A 47 6.336 4.161 6.103 1.00 0.00 O ATOM 774 CB GLU A 47 9.199 2.345 6.451 1.00 0.00 C ATOM 775 CG GLU A 47 10.334 2.983 7.236 1.00 0.00 C ATOM 776 CD GLU A 47 10.396 2.497 8.672 1.00 0.00 C ATOM 777 OE1 GLU A 47 11.059 1.468 8.922 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.781 3.144 9.545 1.00 0.00 O ATOM 0 H GLU A 47 8.009 0.527 7.603 1.00 0.00 H new ATOM 0 HA GLU A 47 7.825 3.354 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.386 1.275 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.194 2.752 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.280 2.765 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.212 4.066 7.228 1.00 0.00 H new ATOM 785 N LEU A 48 6.575 2.229 5.001 1.00 0.00 N ATOM 786 CA LEU A 48 5.681 2.638 3.916 1.00 0.00 C ATOM 787 C LEU A 48 4.302 3.036 4.432 1.00 0.00 C ATOM 788 O LEU A 48 3.749 4.051 4.013 1.00 0.00 O ATOM 789 CB LEU A 48 5.541 1.529 2.869 1.00 0.00 C ATOM 790 CG LEU A 48 5.605 1.992 1.410 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.461 0.805 0.471 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.529 3.030 1.124 1.00 0.00 C ATOM 0 H LEU A 48 6.958 1.288 4.906 1.00 0.00 H new ATOM 0 HA LEU A 48 6.134 3.513 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.329 0.795 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.591 1.019 3.029 1.00 0.00 H new ATOM 0 HG LEU A 48 6.577 2.454 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.508 1.150 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.269 0.096 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.503 0.316 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.594 3.344 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.547 2.597 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.675 3.894 1.773 1.00 0.00 H new ATOM 804 N ALA A 49 3.757 2.241 5.345 1.00 0.00 N ATOM 805 CA ALA A 49 2.433 2.511 5.894 1.00 0.00 C ATOM 806 C ALA A 49 2.352 3.883 6.559 1.00 0.00 C ATOM 807 O ALA A 49 1.498 4.697 6.215 1.00 0.00 O ATOM 808 CB ALA A 49 2.046 1.423 6.884 1.00 0.00 C ATOM 0 H ALA A 49 4.209 1.407 5.720 1.00 0.00 H new ATOM 0 HA ALA A 49 1.729 2.513 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.056 1.634 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.033 0.458 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.771 1.396 7.697 1.00 0.00 H new ATOM 814 N ASP A 50 3.247 4.136 7.507 1.00 0.00 N ATOM 815 CA ASP A 50 3.262 5.405 8.232 1.00 0.00 C ATOM 816 C ASP A 50 3.659 6.579 7.336 1.00 0.00 C ATOM 817 O ASP A 50 3.162 7.693 7.504 1.00 0.00 O ATOM 818 CB ASP A 50 4.222 5.318 9.419 1.00 0.00 C ATOM 819 CG ASP A 50 4.248 6.593 10.238 1.00 0.00 C ATOM 820 OD1 ASP A 50 5.052 7.491 9.912 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.464 6.693 11.205 1.00 0.00 O ATOM 0 H ASP A 50 3.973 3.480 7.793 1.00 0.00 H new ATOM 0 HA ASP A 50 2.247 5.587 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.930 4.485 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.227 5.103 9.055 1.00 0.00 H new ATOM 826 N HIS A 51 4.550 6.321 6.387 1.00 0.00 N ATOM 827 CA HIS A 51 5.037 7.362 5.486 1.00 0.00 C ATOM 828 C HIS A 51 3.932 7.926 4.591 1.00 0.00 C ATOM 829 O HIS A 51 3.677 9.130 4.599 1.00 0.00 O ATOM 830 CB HIS A 51 6.173 6.812 4.621 1.00 0.00 C ATOM 831 CG HIS A 51 6.865 7.857 3.801 1.00 0.00 C ATOM 832 ND1 HIS A 51 8.065 8.435 4.150 1.00 0.00 N ATOM 833 CD2 HIS A 51 6.503 8.427 2.623 1.00 0.00 C ATOM 834 CE1 HIS A 51 8.389 9.319 3.197 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.473 9.352 2.247 1.00 0.00 N ATOM 0 H HIS A 51 4.952 5.398 6.220 1.00 0.00 H new ATOM 0 HA HIS A 51 5.402 8.181 6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.905 6.324 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.774 6.046 3.956 1.00 0.00 H new ATOM 0 HD1 HIS A 51 8.611 8.227 4.986 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.606 8.199 2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.283 9.925 3.205 1.00 0.00 H new ATOM 843 N LEU A 52 3.286 7.057 3.819 1.00 0.00 N ATOM 844 CA LEU A 52 2.232 7.485 2.900 1.00 0.00 C ATOM 845 C LEU A 52 1.139 8.293 3.603 1.00 0.00 C ATOM 846 O LEU A 52 0.553 9.198 3.009 1.00 0.00 O ATOM 847 CB LEU A 52 1.616 6.276 2.187 1.00 0.00 C ATOM 848 CG LEU A 52 1.122 5.149 3.098 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.301 5.410 3.571 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.203 3.816 2.372 1.00 0.00 C ATOM 0 H LEU A 52 3.472 6.054 3.810 1.00 0.00 H new ATOM 0 HA LEU A 52 2.699 8.139 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.778 6.622 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.357 5.865 1.501 1.00 0.00 H new ATOM 0 HG LEU A 52 1.766 5.114 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.626 4.594 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.333 6.347 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.965 5.477 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.849 3.022 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.581 3.851 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.237 3.619 2.088 1.00 0.00 H new ATOM 862 N ILE A 53 0.868 7.966 4.864 1.00 0.00 N ATOM 863 CA ILE A 53 -0.165 8.662 5.628 1.00 0.00 C ATOM 864 C ILE A 53 0.094 10.165 5.688 1.00 0.00 C ATOM 865 O ILE A 53 -0.810 10.969 5.462 1.00 0.00 O ATOM 866 CB ILE A 53 -0.269 8.111 7.066 1.00 0.00 C ATOM 867 CG1 ILE A 53 -0.709 6.646 7.040 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.239 8.947 7.889 1.00 0.00 C ATOM 869 CD1 ILE A 53 -0.584 5.952 8.379 1.00 0.00 C ATOM 0 H ILE A 53 1.347 7.226 5.377 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.106 8.486 5.107 1.00 0.00 H new ATOM 0 HB ILE A 53 0.714 8.170 7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.746 6.593 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.111 6.109 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.300 8.544 8.900 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.887 9.978 7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.226 8.919 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.914 4.917 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.456 5.973 8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.204 6.465 9.114 1.00 0.00 H new ATOM 881 N GLN A 54 1.330 10.533 5.993 1.00 0.00 N ATOM 882 CA GLN A 54 1.710 11.937 6.097 1.00 0.00 C ATOM 883 C GLN A 54 1.431 12.693 4.799 1.00 0.00 C ATOM 884 O GLN A 54 1.201 13.903 4.817 1.00 0.00 O ATOM 885 CB GLN A 54 3.191 12.055 6.457 1.00 0.00 C ATOM 886 CG GLN A 54 3.639 13.482 6.729 1.00 0.00 C ATOM 887 CD GLN A 54 5.127 13.586 6.997 1.00 0.00 C ATOM 888 OE1 GLN A 54 5.919 12.796 6.483 1.00 0.00 O ATOM 889 NE2 GLN A 54 5.516 14.566 7.803 1.00 0.00 N ATOM 0 H GLN A 54 2.090 9.877 6.174 1.00 0.00 H new ATOM 0 HA GLN A 54 1.106 12.386 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.392 11.446 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.788 11.644 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.383 14.108 5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.091 13.873 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.825 15.198 8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.506 14.687 8.018 1.00 0.00 H new ATOM 898 N SER A 55 1.449 11.979 3.677 1.00 0.00 N ATOM 899 CA SER A 55 1.218 12.602 2.376 1.00 0.00 C ATOM 900 C SER A 55 -0.243 13.003 2.177 1.00 0.00 C ATOM 901 O SER A 55 -0.544 14.176 1.957 1.00 0.00 O ATOM 902 CB SER A 55 1.646 11.654 1.255 1.00 0.00 C ATOM 903 OG SER A 55 3.017 11.313 1.369 1.00 0.00 O ATOM 0 H SER A 55 1.620 10.974 3.641 1.00 0.00 H new ATOM 0 HA SER A 55 1.819 13.511 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.039 10.749 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.464 12.124 0.288 1.00 0.00 H new ATOM 0 HG SER A 55 3.543 11.861 0.749 1.00 0.00 H new ATOM 909 N ALA A 56 -1.150 12.030 2.253 1.00 0.00 N ATOM 910 CA ALA A 56 -2.572 12.305 2.061 1.00 0.00 C ATOM 911 C ALA A 56 -3.417 11.841 3.244 1.00 0.00 C ATOM 912 O ALA A 56 -4.406 12.483 3.600 1.00 0.00 O ATOM 913 CB ALA A 56 -3.060 11.650 0.778 1.00 0.00 C ATOM 0 H ALA A 56 -0.928 11.053 2.444 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.688 13.386 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.121 11.860 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.501 12.047 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.909 10.572 0.839 1.00 0.00 H new ATOM 919 N GLY A 57 -3.028 10.725 3.850 1.00 0.00 N ATOM 920 CA GLY A 57 -3.774 10.199 4.979 1.00 0.00 C ATOM 921 C GLY A 57 -3.765 8.684 5.022 1.00 0.00 C ATOM 922 O GLY A 57 -3.218 8.035 4.131 1.00 0.00 O ATOM 0 H GLY A 57 -2.212 10.176 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.350 10.589 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.804 10.552 4.927 1.00 0.00 H new ATOM 926 N ALA A 58 -4.373 8.118 6.061 1.00 0.00 N ATOM 927 CA ALA A 58 -4.424 6.670 6.221 1.00 0.00 C ATOM 928 C ALA A 58 -5.370 6.017 5.216 1.00 0.00 C ATOM 929 O ALA A 58 -4.933 5.334 4.294 1.00 0.00 O ATOM 930 CB ALA A 58 -4.844 6.314 7.639 1.00 0.00 C ATOM 0 H ALA A 58 -4.837 8.641 6.804 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.423 6.284 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.879 5.230 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.124 6.726 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.831 6.730 7.842 1.00 0.00 H new ATOM 936 N ALA A 59 -6.667 6.244 5.395 1.00 0.00 N ATOM 937 CA ALA A 59 -7.680 5.658 4.521 1.00 0.00 C ATOM 938 C ALA A 59 -7.596 6.199 3.096 1.00 0.00 C ATOM 939 O ALA A 59 -7.871 5.480 2.135 1.00 0.00 O ATOM 940 CB ALA A 59 -9.066 5.902 5.095 1.00 0.00 C ATOM 0 H ALA A 59 -7.043 6.831 6.139 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.489 4.586 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.815 5.462 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.137 5.445 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.242 6.975 5.178 1.00 0.00 H new ATOM 946 N SER A 60 -7.217 7.463 2.963 1.00 0.00 N ATOM 947 CA SER A 60 -7.116 8.098 1.653 1.00 0.00 C ATOM 948 C SER A 60 -6.027 7.460 0.793 1.00 0.00 C ATOM 949 O SER A 60 -6.266 7.107 -0.363 1.00 0.00 O ATOM 950 CB SER A 60 -6.839 9.592 1.812 1.00 0.00 C ATOM 951 OG SER A 60 -6.733 10.230 0.552 1.00 0.00 O ATOM 0 H SER A 60 -6.974 8.070 3.746 1.00 0.00 H new ATOM 0 HA SER A 60 -8.070 7.953 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.640 10.053 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.916 9.736 2.374 1.00 0.00 H new ATOM 0 HG SER A 60 -6.557 11.185 0.683 1.00 0.00 H new ATOM 957 N ALA A 61 -4.834 7.312 1.360 1.00 0.00 N ATOM 958 CA ALA A 61 -3.707 6.738 0.632 1.00 0.00 C ATOM 959 C ALA A 61 -3.870 5.236 0.401 1.00 0.00 C ATOM 960 O ALA A 61 -3.565 4.737 -0.682 1.00 0.00 O ATOM 961 CB ALA A 61 -2.407 7.022 1.367 1.00 0.00 C ATOM 0 H ALA A 61 -4.622 7.581 2.321 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.679 7.213 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.574 6.589 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.265 8.099 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.449 6.582 2.363 1.00 0.00 H new ATOM 967 N VAL A 62 -4.345 4.519 1.414 1.00 0.00 N ATOM 968 CA VAL A 62 -4.530 3.074 1.302 1.00 0.00 C ATOM 969 C VAL A 62 -5.482 2.719 0.159 1.00 0.00 C ATOM 970 O VAL A 62 -5.342 1.672 -0.474 1.00 0.00 O ATOM 971 CB VAL A 62 -5.060 2.470 2.623 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.429 1.004 2.446 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.023 2.625 3.725 1.00 0.00 C ATOM 0 H VAL A 62 -4.608 4.911 2.318 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.551 2.646 1.088 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.962 3.013 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.799 0.605 3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.205 0.913 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.548 0.442 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.408 2.196 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.107 2.107 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.809 3.683 3.877 1.00 0.00 H new ATOM 983 N THR A 63 -6.440 3.601 -0.108 1.00 0.00 N ATOM 984 CA THR A 63 -7.412 3.372 -1.172 1.00 0.00 C ATOM 985 C THR A 63 -6.778 3.533 -2.553 1.00 0.00 C ATOM 986 O THR A 63 -6.822 2.618 -3.376 1.00 0.00 O ATOM 987 CB THR A 63 -8.609 4.335 -1.055 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.247 4.172 0.217 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.618 4.086 -2.168 1.00 0.00 C ATOM 0 H THR A 63 -6.564 4.479 0.396 1.00 0.00 H new ATOM 0 HA THR A 63 -7.763 2.347 -1.058 1.00 0.00 H new ATOM 0 HB THR A 63 -8.235 5.355 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.754 4.676 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.453 4.778 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.139 4.239 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.985 3.062 -2.104 1.00 0.00 H new ATOM 997 N LYS A 64 -6.189 4.699 -2.799 1.00 0.00 N ATOM 998 CA LYS A 64 -5.556 4.983 -4.083 1.00 0.00 C ATOM 999 C LYS A 64 -4.370 4.054 -4.333 1.00 0.00 C ATOM 1000 O LYS A 64 -4.041 3.748 -5.479 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.089 6.437 -4.132 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.120 6.799 -3.020 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.237 7.968 -3.416 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.360 8.421 -2.260 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.474 7.327 -1.775 1.00 0.00 N ATOM 0 H LYS A 64 -6.137 5.463 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.297 4.813 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.613 6.625 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.958 7.092 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.677 7.051 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.499 5.936 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.609 7.682 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.859 8.799 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.751 9.268 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.990 8.769 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.892 7.675 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.055 6.528 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.855 7.012 -2.549 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.733 3.616 -3.252 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.582 2.724 -3.344 1.00 0.00 C ATOM 1021 C ALA A 65 -2.911 1.482 -4.164 1.00 0.00 C ATOM 1022 O ALA A 65 -2.041 0.914 -4.824 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.108 2.329 -1.952 1.00 0.00 C ATOM 0 H ALA A 65 -3.995 3.865 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.780 3.259 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.249 1.663 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.822 3.223 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.913 1.817 -1.425 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.170 1.067 -4.114 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.618 -0.113 -4.845 1.00 0.00 C ATOM 1031 C ILE A 66 -4.563 0.112 -6.354 1.00 0.00 C ATOM 1032 O ILE A 66 -4.055 -0.727 -7.096 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.056 -0.512 -4.446 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.111 -0.922 -2.971 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.569 -1.638 -5.334 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.290 -2.154 -2.646 1.00 0.00 C ATOM 0 H ILE A 66 -4.901 1.530 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.937 -0.922 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.702 0.355 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.759 -0.091 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.149 -1.105 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.583 -1.903 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.571 -1.310 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.921 -2.508 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.379 -2.381 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.655 -2.999 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.244 -1.969 -2.891 1.00 0.00 H new ATOM 1048 N ASN A 67 -5.088 1.249 -6.799 1.00 0.00 N ATOM 1049 CA ASN A 67 -5.108 1.581 -8.221 1.00 0.00 C ATOM 1050 C ASN A 67 -3.697 1.777 -8.770 1.00 0.00 C ATOM 1051 O ASN A 67 -3.418 1.447 -9.922 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.937 2.846 -8.461 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.427 2.613 -8.284 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.790 1.709 -7.380 1.00 0.00 O flip ATOM 1055 ND2 ASN A 67 -8.247 3.244 -8.953 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.506 1.957 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.565 0.743 -8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.611 3.625 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.748 3.213 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.927 3.930 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.245 3.081 -8.823 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.811 2.315 -7.940 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.431 2.564 -8.348 1.00 0.00 C ATOM 1064 C ILE A 68 -0.614 1.273 -8.398 1.00 0.00 C ATOM 1065 O ILE A 68 0.170 1.060 -9.321 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.737 3.561 -7.397 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.497 4.890 -7.370 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.710 3.781 -7.817 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -1.012 5.850 -6.305 1.00 0.00 C ATOM 0 H ILE A 68 -3.022 2.588 -6.980 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.477 2.992 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.742 3.140 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.408 5.369 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.556 4.689 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.184 4.487 -7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.246 2.832 -7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.738 4.181 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.598 6.768 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.127 5.392 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.039 6.082 -6.476 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.806 0.415 -7.401 1.00 0.00 N ATOM 1082 CA PHE A 69 -0.070 -0.846 -7.311 1.00 0.00 C ATOM 1083 C PHE A 69 -0.517 -1.858 -8.364 1.00 0.00 C ATOM 1084 O PHE A 69 0.305 -2.592 -8.915 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.245 -1.453 -5.916 1.00 0.00 C ATOM 1086 CG PHE A 69 0.491 -2.750 -5.721 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.858 -2.761 -5.500 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.189 -3.959 -5.754 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.536 -3.951 -5.317 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.483 -5.152 -5.570 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.848 -5.148 -5.352 1.00 0.00 C ATOM 0 H PHE A 69 -1.467 0.569 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 69 0.980 -0.619 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.100 -0.735 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.307 -1.617 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.401 -1.828 -5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.255 -3.968 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.602 -3.945 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.058 -6.087 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.376 -6.079 -5.209 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.814 -1.896 -8.645 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.354 -2.849 -9.610 1.00 0.00 C ATOM 1103 C GLN A 70 -1.842 -2.596 -11.030 1.00 0.00 C ATOM 1104 O GLN A 70 -1.202 -3.457 -11.632 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.893 -2.835 -9.581 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.530 -1.515 -9.986 1.00 0.00 C ATOM 1107 CD GLN A 70 -6.042 -1.548 -9.881 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.560 -1.197 -8.712 1.00 0.00 O flip ATOM 1109 NE2 GLN A 70 -6.736 -1.888 -10.841 1.00 0.00 N flip ATOM 0 H GLN A 70 -2.509 -1.282 -8.221 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.001 -3.837 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.261 -3.618 -10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.225 -3.088 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.142 -0.718 -9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.245 -1.276 -11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.294 -2.150 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.752 -1.907 -10.754 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.098 -1.405 -11.547 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.710 -1.051 -12.907 1.00 0.00 C ATOM 1120 C LYS A 71 -0.195 -0.979 -13.091 1.00 0.00 C ATOM 1121 O LYS A 71 0.285 -0.842 -14.217 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.346 0.287 -13.289 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.220 0.630 -14.765 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.930 1.932 -15.097 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.443 1.778 -15.032 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.950 0.846 -16.075 1.00 0.00 N ATOM 0 H LYS A 71 -2.577 -0.660 -11.042 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.071 -1.843 -13.563 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.402 0.266 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.883 1.079 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.166 0.711 -15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.640 -0.178 -15.364 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.613 2.708 -14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.640 2.261 -16.095 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.729 1.410 -14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.913 2.753 -15.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.971 0.993 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.457 1.028 -16.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.777 -0.135 -15.777 1.00 0.00 H new ATOM 1140 N LEU A 72 0.567 -1.076 -12.004 1.00 0.00 N ATOM 1141 CA LEU A 72 2.018 -0.960 -12.116 1.00 0.00 C ATOM 1142 C LEU A 72 2.769 -2.289 -12.106 1.00 0.00 C ATOM 1143 O LEU A 72 3.705 -2.469 -12.886 1.00 0.00 O ATOM 1144 CB LEU A 72 2.532 -0.138 -10.941 1.00 0.00 C ATOM 1145 CG LEU A 72 2.938 1.299 -11.258 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.148 1.327 -12.181 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.775 2.064 -11.874 1.00 0.00 C ATOM 0 H LEU A 72 0.216 -1.231 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 72 2.204 -0.495 -13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.759 -0.115 -10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.392 -0.652 -10.512 1.00 0.00 H new ATOM 0 HG LEU A 72 3.211 1.788 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.420 2.361 -12.394 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.986 0.824 -11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.906 0.816 -13.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.086 3.086 -12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.466 1.574 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.939 2.081 -11.174 1.00 0.00 H new ATOM 1159 N ASN A 73 2.379 -3.221 -11.244 1.00 0.00 N ATOM 1160 CA ASN A 73 3.099 -4.492 -11.175 1.00 0.00 C ATOM 1161 C ASN A 73 2.225 -5.735 -11.332 1.00 0.00 C ATOM 1162 O ASN A 73 2.507 -6.597 -12.165 1.00 0.00 O ATOM 1163 CB ASN A 73 3.861 -4.577 -9.853 1.00 0.00 C ATOM 1164 CG ASN A 73 4.896 -3.477 -9.713 1.00 0.00 C ATOM 1165 OD1 ASN A 73 5.450 -3.000 -10.703 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.160 -3.069 -8.478 1.00 0.00 N ATOM 0 H ASN A 73 1.593 -3.129 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 73 3.775 -4.492 -12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.155 -4.516 -9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.353 -5.547 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.847 -2.331 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.676 -3.493 -7.686 1.00 0.00 H new ATOM 1173 N TYR A 74 1.167 -5.827 -10.534 1.00 0.00 N ATOM 1174 CA TYR A 74 0.312 -7.020 -10.546 1.00 0.00 C ATOM 1175 C TYR A 74 -1.179 -6.707 -10.460 1.00 0.00 C ATOM 1176 O TYR A 74 -1.839 -7.084 -9.491 1.00 0.00 O ATOM 1177 CB TYR A 74 0.715 -7.958 -9.407 1.00 0.00 C ATOM 1178 CG TYR A 74 2.059 -8.620 -9.616 1.00 0.00 C ATOM 1179 CD1 TYR A 74 3.232 -7.995 -9.216 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.153 -9.869 -10.216 1.00 0.00 C ATOM 1181 CE1 TYR A 74 4.462 -8.595 -9.408 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.380 -10.477 -10.410 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.530 -9.835 -10.005 1.00 0.00 C ATOM 1184 OH TYR A 74 5.753 -10.435 -10.197 1.00 0.00 O ATOM 0 H TYR A 74 0.879 -5.102 -9.876 1.00 0.00 H new ATOM 0 HA TYR A 74 0.468 -7.502 -11.511 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.738 -7.395 -8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.047 -8.729 -9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.183 -7.023 -8.747 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.253 -10.374 -10.536 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.365 -8.095 -9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.436 -11.450 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 74 5.626 -11.305 -10.629 1.00 0.00 H new ATOM 1194 N MET A 75 -1.707 -6.008 -11.457 1.00 0.00 N ATOM 1195 CA MET A 75 -3.126 -5.656 -11.479 1.00 0.00 C ATOM 1196 C MET A 75 -4.030 -6.876 -11.276 1.00 0.00 C ATOM 1197 O MET A 75 -5.238 -6.731 -11.085 1.00 0.00 O ATOM 1198 CB MET A 75 -3.484 -4.975 -12.801 1.00 0.00 C ATOM 1199 CG MET A 75 -3.270 -5.860 -14.020 1.00 0.00 C ATOM 1200 SD MET A 75 -3.818 -5.079 -15.551 1.00 0.00 S ATOM 1201 CE MET A 75 -5.553 -4.812 -15.196 1.00 0.00 C ATOM 0 H MET A 75 -1.177 -5.673 -12.261 1.00 0.00 H new ATOM 0 HA MET A 75 -3.295 -4.970 -10.649 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.528 -4.663 -12.768 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.884 -4.071 -12.909 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.212 -6.109 -14.102 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.808 -6.798 -13.882 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.110 -4.747 -16.131 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.935 -5.643 -14.603 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.671 -3.883 -14.638 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.449 -8.073 -11.314 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.223 -9.299 -11.142 1.00 0.00 C ATOM 1213 C HIS A 76 -4.499 -9.598 -9.665 1.00 0.00 C ATOM 1214 O HIS A 76 -5.646 -9.827 -9.279 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.494 -10.480 -11.784 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.327 -11.721 -11.861 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.111 -12.841 -11.090 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.403 -12.005 -12.639 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -5.039 -13.750 -11.417 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.849 -13.292 -12.352 1.00 0.00 N ATOM 0 H HIS A 76 -2.450 -8.219 -11.462 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.183 -9.151 -11.637 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.179 -10.200 -12.789 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.590 -10.693 -11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.843 -11.338 -13.365 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.114 -14.731 -10.972 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.638 -13.780 -12.776 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.451 -9.596 -8.845 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.597 -9.883 -7.417 1.00 0.00 C ATOM 1230 C ILE A 77 -4.332 -8.762 -6.686 1.00 0.00 C ATOM 1231 O ILE A 77 -5.107 -9.016 -5.763 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.228 -10.108 -6.739 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -2.419 -10.516 -5.273 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.371 -8.854 -6.840 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -1.129 -10.865 -4.562 1.00 0.00 C ATOM 0 H ILE A 77 -2.495 -9.400 -9.141 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.186 -10.798 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.713 -10.917 -7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.908 -9.701 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.091 -11.373 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.410 -9.030 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.210 -8.607 -7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.879 -8.026 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.346 -11.143 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.648 -11.701 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.463 -10.002 -4.573 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.088 -7.525 -7.102 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.719 -6.369 -6.476 1.00 0.00 C ATOM 1249 C ALA A 78 -6.237 -6.405 -6.634 1.00 0.00 C ATOM 1250 O ALA A 78 -6.967 -5.908 -5.778 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.153 -5.081 -7.051 1.00 0.00 C ATOM 0 H ALA A 78 -3.457 -7.296 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.497 -6.405 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.634 -4.227 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.079 -5.042 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.339 -5.049 -8.124 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.707 -6.990 -7.733 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.141 -7.085 -7.994 1.00 0.00 C ATOM 1259 C ASN A 79 -8.855 -7.810 -6.856 1.00 0.00 C ATOM 1260 O ASN A 79 -9.956 -7.432 -6.459 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.394 -7.811 -9.317 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.868 -7.890 -9.661 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.651 -7.013 -9.299 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.254 -8.947 -10.367 1.00 0.00 N ATOM 0 H ASN A 79 -6.118 -7.404 -8.455 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.540 -6.073 -8.062 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.864 -7.296 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.983 -8.819 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.234 -9.055 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.571 -9.651 -10.646 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.233 -8.867 -6.350 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.803 -9.639 -5.252 1.00 0.00 C ATOM 1273 C ALA A 80 -8.714 -8.876 -3.932 1.00 0.00 C ATOM 1274 O ALA A 80 -9.577 -9.008 -3.065 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.102 -10.984 -5.135 1.00 0.00 C ATOM 0 H ALA A 80 -7.332 -9.210 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.858 -9.807 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.537 -11.551 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.226 -11.541 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.040 -10.826 -4.946 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.660 -8.076 -3.792 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.428 -7.302 -2.574 1.00 0.00 C ATOM 1283 C LEU A 81 -8.408 -6.137 -2.426 1.00 0.00 C ATOM 1284 O LEU A 81 -8.899 -5.874 -1.328 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.990 -6.772 -2.559 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.621 -5.918 -1.344 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.726 -6.731 -0.062 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.220 -5.349 -1.503 1.00 0.00 C ATOM 0 H LEU A 81 -6.949 -7.946 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.589 -7.973 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.307 -7.620 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.829 -6.181 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.326 -5.089 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.459 -6.104 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.748 -7.091 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.046 -7.581 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.972 -4.744 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.504 -6.166 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.179 -4.729 -2.399 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.685 -5.438 -3.524 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.596 -4.294 -3.487 1.00 0.00 C ATOM 1302 C GLU A 82 -10.967 -4.693 -2.952 1.00 0.00 C ATOM 1303 O GLU A 82 -11.695 -3.860 -2.411 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.737 -3.661 -4.874 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.403 -4.563 -5.898 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.671 -3.855 -7.212 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.736 -3.213 -7.333 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.818 -3.942 -8.119 1.00 0.00 O ATOM 0 H GLU A 82 -8.296 -5.641 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.165 -3.557 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.314 -2.741 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.748 -3.383 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.769 -5.431 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.343 -4.935 -5.492 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.318 -5.966 -3.108 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.604 -6.467 -2.631 1.00 0.00 C ATOM 1317 C GLU A 83 -12.755 -6.229 -1.132 1.00 0.00 C ATOM 1318 O GLU A 83 -13.857 -5.995 -0.636 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.742 -7.960 -2.938 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.663 -8.285 -4.420 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.894 -9.755 -4.708 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -11.907 -10.521 -4.715 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -14.061 -10.142 -4.927 1.00 0.00 O ATOM 0 H GLU A 83 -10.732 -6.668 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.393 -5.923 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.958 -8.505 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.695 -8.317 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.403 -7.693 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.684 -7.994 -4.800 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.635 -6.290 -0.418 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.626 -6.084 1.026 1.00 0.00 C ATOM 1332 C LYS A 84 -12.171 -4.704 1.391 1.00 0.00 C ATOM 1333 O LYS A 84 -12.737 -4.518 2.468 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.206 -6.244 1.573 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.140 -6.315 3.090 1.00 0.00 C ATOM 1336 CD LYS A 84 -10.803 -7.577 3.624 1.00 0.00 C ATOM 1337 CE LYS A 84 -10.050 -8.830 3.200 1.00 0.00 C ATOM 1338 NZ LYS A 84 -10.726 -10.070 3.673 1.00 0.00 N ATOM 0 H LYS A 84 -10.717 -6.482 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.273 -6.837 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.765 -7.150 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.598 -5.407 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.099 -6.288 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.628 -5.439 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.850 -7.531 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.830 -7.630 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.967 -8.854 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.035 -8.796 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.182 -10.901 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.783 -10.060 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.685 -10.116 3.274 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.987 -3.738 0.492 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.455 -2.372 0.723 1.00 0.00 C ATOM 1354 C LYS A 85 -13.933 -2.352 1.106 1.00 0.00 C ATOM 1355 O LYS A 85 -14.360 -1.532 1.918 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.228 -1.512 -0.522 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.549 -0.039 -0.312 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.309 0.777 -1.573 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.298 0.415 -2.672 1.00 0.00 C ATOM 1360 NZ LYS A 85 -13.111 1.252 -3.889 1.00 0.00 N ATOM 0 H LYS A 85 -11.517 -3.876 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.880 -1.959 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.188 -1.608 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.842 -1.897 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.589 0.066 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.935 0.355 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.394 1.839 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.292 0.609 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.180 -0.637 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.315 0.539 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.804 0.973 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.249 2.254 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.149 1.115 -4.260 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.707 -3.258 0.517 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.135 -3.344 0.805 1.00 0.00 C ATOM 1376 C LYS A 86 -16.367 -3.606 2.289 1.00 0.00 C ATOM 1377 O LYS A 86 -17.313 -3.087 2.883 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.783 -4.454 -0.027 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.680 -4.237 -1.530 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.444 -2.997 -1.973 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.512 -2.899 -3.489 1.00 0.00 C ATOM 1382 NZ LYS A 86 -16.160 -2.896 -4.109 1.00 0.00 N ATOM 0 H LYS A 86 -14.371 -3.942 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.593 -2.391 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.314 -5.405 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.835 -4.534 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.632 -4.139 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.070 -5.111 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.454 -3.024 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.960 -2.107 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.089 -3.737 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.042 -1.989 -3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.241 -2.659 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.562 -2.189 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.730 -3.837 -4.008 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.493 -4.413 2.881 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.590 -4.747 4.297 1.00 0.00 C ATOM 1398 C GLU A 87 -15.099 -3.588 5.159 1.00 0.00 C ATOM 1399 O GLU A 87 -15.550 -3.409 6.289 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.775 -6.008 4.600 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.847 -6.446 6.055 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.024 -7.688 6.331 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -12.802 -7.553 6.557 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -14.599 -8.796 6.320 1.00 0.00 O ATOM 0 H GLU A 87 -14.707 -4.849 2.400 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.637 -4.935 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.131 -6.821 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.733 -5.829 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.498 -5.634 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.886 -6.637 6.322 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.172 -2.807 4.615 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.617 -1.662 5.328 1.00 0.00 C ATOM 1413 C ALA A 88 -14.714 -0.693 5.759 1.00 0.00 C ATOM 1414 O ALA A 88 -14.572 0.014 6.756 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.592 -0.948 4.460 1.00 0.00 C ATOM 0 H ALA A 88 -13.788 -2.946 3.680 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.124 -2.032 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.185 -0.095 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.785 -1.636 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -13.070 -0.600 3.544 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.803 -0.663 4.996 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.929 0.218 5.289 1.00 0.00 C ATOM 1423 C GLU A 89 -17.394 0.069 6.735 1.00 0.00 C ATOM 1424 O GLU A 89 -17.488 1.053 7.469 1.00 0.00 O ATOM 1425 CB GLU A 89 -18.092 -0.075 4.339 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.770 0.204 2.881 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.929 -0.116 1.955 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.780 0.773 1.741 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.987 -1.255 1.446 1.00 0.00 O ATOM 0 H GLU A 89 -15.930 -1.242 4.166 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.592 1.244 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.382 -1.120 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.952 0.526 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.498 1.253 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.901 -0.384 2.586 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.683 -1.165 7.142 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.144 -1.428 8.501 1.00 0.00 C ATOM 1438 C ARG A 90 -17.006 -1.292 9.507 1.00 0.00 C ATOM 1439 O ARG A 90 -17.240 -1.147 10.707 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.764 -2.825 8.598 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.812 -3.945 8.212 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.413 -5.312 8.504 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.606 -5.530 9.935 1.00 0.00 N ATOM 1444 CZ ARG A 90 -19.079 -6.659 10.454 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.414 -7.670 9.663 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -19.218 -6.779 11.767 1.00 0.00 N ATOM 0 H ARG A 90 -17.606 -1.994 6.553 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.904 -0.685 8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.109 -2.989 9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.642 -2.868 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.572 -3.871 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.876 -3.833 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.370 -5.404 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -17.761 -6.088 8.104 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.364 -4.772 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.309 -7.583 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.776 -8.534 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.962 -6.005 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.581 -7.645 12.164 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.773 -1.337 9.013 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.599 -1.219 9.871 1.00 0.00 C ATOM 1462 C LYS A 91 -14.270 0.244 10.151 1.00 0.00 C ATOM 1463 O LYS A 91 -13.595 0.561 11.131 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.401 -1.915 9.223 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.646 -3.387 8.927 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.454 -4.028 8.231 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.239 -4.094 9.143 1.00 0.00 C ATOM 1468 NZ LYS A 91 -10.076 -4.740 8.474 1.00 0.00 N ATOM 0 H LYS A 91 -15.561 -1.454 8.022 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.822 -1.704 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.151 -1.402 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.537 -1.823 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.851 -3.916 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.532 -3.489 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.720 -5.034 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.206 -3.459 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.964 -3.086 9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.493 -4.649 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.269 -4.765 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.329 -5.710 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.817 -4.196 7.626 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.752 1.135 9.288 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.508 2.564 9.448 1.00 0.00 C ATOM 1484 C LEU A 92 -15.706 3.248 10.098 1.00 0.00 C ATOM 1485 O LEU A 92 -15.760 4.476 10.186 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.210 3.210 8.092 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.958 2.691 7.381 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.806 3.351 6.018 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.720 2.934 8.230 1.00 0.00 C ATOM 0 H LEU A 92 -15.313 0.892 8.472 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.642 2.689 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.069 3.057 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.107 4.286 8.235 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.069 1.617 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.911 2.970 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.679 3.126 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.719 4.430 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.841 2.558 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.606 4.003 8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.825 2.415 9.183 1.00 0.00 H new