USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=26 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -100:sc= 1.25 (180deg=0.207) 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 -162:sc= -0.109 (180deg=-0.592) USER MOD Single : A 12 THR OG1 : rot 48:sc= 1.28 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= -0.864 (180deg=-4.99!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.139 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 -160:sc= -1.71! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.848 X(o=-0.85,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 55 SER OG : rot 90:sc= 1 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -86:sc= 0.904 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc=-0.00521 (180deg=-0.0913) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 70 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.8!) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.0438 (180deg=-0.327) USER MOD Single : A 73 ASN : amide:sc= -2.38 K(o=-2.4,f=-4!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 157:sc= -0.133 (180deg=-0.776) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= -1.44 (180deg=-3.96!) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00975) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= -0.0686 (180deg=-0.373) USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= -0.0441 (180deg=-0.323) USER MOD Single : A 93 MET CE :methyl -161:sc= -0.0799 (180deg=-0.496) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0088 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.000 -1.921 13.741 1.00 0.00 N ATOM 2 CA MET A 1 -8.403 -0.562 13.701 1.00 0.00 C ATOM 3 C MET A 1 -7.842 -0.257 12.316 1.00 0.00 C ATOM 4 O MET A 1 -7.535 -1.166 11.546 1.00 0.00 O ATOM 5 CB MET A 1 -7.289 -0.437 14.745 1.00 0.00 C ATOM 6 CG MET A 1 -7.762 -0.647 16.175 1.00 0.00 C ATOM 7 SD MET A 1 -8.083 -2.380 16.556 1.00 0.00 S ATOM 8 CE MET A 1 -8.651 -2.253 18.250 1.00 0.00 C ATOM 0 H1 MET A 1 -10.033 -1.849 13.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.622 -2.490 12.957 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.764 -2.377 14.645 1.00 0.00 H new ATOM 0 HA MET A 1 -9.190 0.157 13.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.509 -1.164 14.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.836 0.551 14.663 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.009 -0.262 16.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.671 -0.069 16.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.890 -3.247 18.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.867 -1.809 18.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.542 -1.626 18.289 1.00 0.00 H new ATOM 20 N GLU A 2 -7.713 1.030 12.009 1.00 0.00 N ATOM 21 CA GLU A 2 -7.190 1.460 10.718 1.00 0.00 C ATOM 22 C GLU A 2 -5.748 0.999 10.534 1.00 0.00 C ATOM 23 O GLU A 2 -5.301 0.761 9.412 1.00 0.00 O ATOM 24 CB GLU A 2 -7.272 2.982 10.591 1.00 0.00 C ATOM 25 CG GLU A 2 -6.516 3.726 11.680 1.00 0.00 C ATOM 26 CD GLU A 2 -6.652 5.230 11.556 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.723 5.761 11.914 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.684 5.878 11.101 1.00 0.00 O ATOM 0 H GLU A 2 -7.964 1.793 12.637 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.800 1.005 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.878 3.279 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.319 3.284 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.886 3.410 12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.461 3.455 11.636 1.00 0.00 H new ATOM 35 N SER A 3 -5.026 0.876 11.643 1.00 0.00 N ATOM 36 CA SER A 3 -3.633 0.445 11.608 1.00 0.00 C ATOM 37 C SER A 3 -3.506 -0.949 11.002 1.00 0.00 C ATOM 38 O SER A 3 -2.575 -1.224 10.244 1.00 0.00 O ATOM 39 CB SER A 3 -3.039 0.456 13.017 1.00 0.00 C ATOM 40 OG SER A 3 -3.762 -0.404 13.881 1.00 0.00 O ATOM 0 H SER A 3 -5.383 1.069 12.579 1.00 0.00 H new ATOM 0 HA SER A 3 -3.080 1.144 10.981 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.995 0.144 12.978 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.053 1.471 13.413 1.00 0.00 H new ATOM 0 HG SER A 3 -3.362 -0.381 14.775 1.00 0.00 H new ATOM 46 N GLU A 4 -4.447 -1.824 11.341 1.00 0.00 N ATOM 47 CA GLU A 4 -4.439 -3.192 10.833 1.00 0.00 C ATOM 48 C GLU A 4 -4.885 -3.237 9.374 1.00 0.00 C ATOM 49 O GLU A 4 -4.441 -4.089 8.606 1.00 0.00 O ATOM 50 CB GLU A 4 -5.351 -4.076 11.688 1.00 0.00 C ATOM 51 CG GLU A 4 -5.468 -5.506 11.183 1.00 0.00 C ATOM 52 CD GLU A 4 -6.390 -6.352 12.039 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.623 -6.259 11.855 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.880 -7.110 12.890 1.00 0.00 O ATOM 0 H GLU A 4 -5.225 -1.611 11.965 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.418 -3.570 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.973 -4.091 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.345 -3.630 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.837 -5.496 10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.478 -5.962 11.161 1.00 0.00 H new ATOM 61 N TYR A 5 -5.761 -2.310 8.999 1.00 0.00 N ATOM 62 CA TYR A 5 -6.274 -2.245 7.633 1.00 0.00 C ATOM 63 C TYR A 5 -5.195 -1.782 6.658 1.00 0.00 C ATOM 64 O TYR A 5 -5.119 -2.267 5.529 1.00 0.00 O ATOM 65 CB TYR A 5 -7.478 -1.301 7.567 1.00 0.00 C ATOM 66 CG TYR A 5 -8.084 -1.177 6.187 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.612 -2.286 5.535 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.131 0.049 5.536 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.168 -2.175 4.275 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.686 0.167 4.276 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.203 -0.947 3.650 1.00 0.00 C ATOM 72 OH TYR A 5 -9.755 -0.833 2.395 1.00 0.00 O ATOM 0 H TYR A 5 -6.131 -1.592 9.622 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.586 -3.248 7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.243 -1.654 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.171 -0.312 7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.587 -3.250 6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.727 0.925 6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.573 -3.046 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.715 1.128 3.784 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.702 0.099 2.098 1.00 0.00 H new ATOM 82 N ARG A 6 -4.364 -0.845 7.099 1.00 0.00 N ATOM 83 CA ARG A 6 -3.298 -0.312 6.259 1.00 0.00 C ATOM 84 C ARG A 6 -2.068 -1.216 6.269 1.00 0.00 C ATOM 85 O ARG A 6 -1.323 -1.273 5.292 1.00 0.00 O ATOM 86 CB ARG A 6 -2.910 1.092 6.729 1.00 0.00 C ATOM 87 CG ARG A 6 -2.387 1.138 8.155 1.00 0.00 C ATOM 88 CD ARG A 6 -2.149 2.568 8.614 1.00 0.00 C ATOM 89 NE ARG A 6 -1.697 2.631 10.000 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.125 3.536 10.877 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.019 4.447 10.515 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.658 3.527 12.118 1.00 0.00 N ATOM 0 H ARG A 6 -4.408 -0.439 8.033 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.675 -0.266 5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.148 1.492 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.779 1.745 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.101 0.655 8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.457 0.574 8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.406 3.036 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.070 3.141 8.507 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.014 1.942 10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.381 4.456 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.344 5.139 11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.972 2.827 12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.985 4.220 12.791 1.00 0.00 H new ATOM 106 N GLU A 7 -1.865 -1.926 7.371 1.00 0.00 N ATOM 107 CA GLU A 7 -0.711 -2.810 7.510 1.00 0.00 C ATOM 108 C GLU A 7 -0.815 -4.044 6.615 1.00 0.00 C ATOM 109 O GLU A 7 0.096 -4.332 5.838 1.00 0.00 O ATOM 110 CB GLU A 7 -0.557 -3.248 8.968 1.00 0.00 C ATOM 111 CG GLU A 7 0.686 -4.084 9.225 1.00 0.00 C ATOM 112 CD GLU A 7 0.801 -4.528 10.670 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.309 -3.739 11.494 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.380 -5.664 10.977 1.00 0.00 O ATOM 0 H GLU A 7 -2.483 -1.908 8.182 1.00 0.00 H new ATOM 0 HA GLU A 7 0.166 -2.244 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.527 -2.363 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.437 -3.821 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.669 -4.962 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.570 -3.507 8.955 1.00 0.00 H new ATOM 121 N MET A 8 -1.926 -4.767 6.720 1.00 0.00 N ATOM 122 CA MET A 8 -2.119 -5.984 5.934 1.00 0.00 C ATOM 123 C MET A 8 -2.318 -5.684 4.450 1.00 0.00 C ATOM 124 O MET A 8 -1.725 -6.341 3.596 1.00 0.00 O ATOM 125 CB MET A 8 -3.311 -6.784 6.472 1.00 0.00 C ATOM 126 CG MET A 8 -4.655 -6.102 6.271 1.00 0.00 C ATOM 127 SD MET A 8 -6.013 -6.998 7.048 1.00 0.00 S ATOM 128 CE MET A 8 -5.914 -8.570 6.196 1.00 0.00 C ATOM 0 H MET A 8 -2.703 -4.534 7.338 1.00 0.00 H new ATOM 0 HA MET A 8 -1.210 -6.578 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.332 -7.758 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.163 -6.965 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.610 -5.093 6.680 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.853 -6.005 5.203 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.853 -9.110 6.319 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.730 -8.398 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.099 -9.160 6.615 1.00 0.00 H new ATOM 138 N LEU A 9 -3.145 -4.689 4.148 1.00 0.00 N ATOM 139 CA LEU A 9 -3.432 -4.324 2.763 1.00 0.00 C ATOM 140 C LEU A 9 -2.162 -3.989 1.984 1.00 0.00 C ATOM 141 O LEU A 9 -2.076 -4.251 0.784 1.00 0.00 O ATOM 142 CB LEU A 9 -4.405 -3.141 2.720 1.00 0.00 C ATOM 143 CG LEU A 9 -4.877 -2.734 1.321 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.299 -2.194 1.375 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.939 -1.697 0.718 1.00 0.00 C ATOM 0 H LEU A 9 -3.629 -4.120 4.843 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.891 -5.189 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.279 -3.388 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.927 -2.281 3.189 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.865 -3.619 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.618 -1.910 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.966 -2.964 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.332 -1.322 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.292 -1.421 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.918 -0.812 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.935 -2.114 0.643 1.00 0.00 H new ATOM 157 N LEU A 10 -1.179 -3.411 2.665 1.00 0.00 N ATOM 158 CA LEU A 10 0.073 -3.028 2.016 1.00 0.00 C ATOM 159 C LEU A 10 1.055 -4.192 1.912 1.00 0.00 C ATOM 160 O LEU A 10 1.477 -4.556 0.814 1.00 0.00 O ATOM 161 CB LEU A 10 0.724 -1.867 2.768 1.00 0.00 C ATOM 162 CG LEU A 10 -0.044 -0.546 2.709 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.585 0.476 3.641 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.088 -0.015 1.283 1.00 0.00 C ATOM 0 H LEU A 10 -1.222 -3.197 3.661 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.175 -2.718 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.845 -2.153 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.723 -1.707 2.364 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.067 -0.728 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.026 1.410 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.562 0.099 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.618 0.653 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.639 0.925 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.928 0.151 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.585 -0.741 0.640 1.00 0.00 H new ATOM 176 N LEU A 11 1.419 -4.770 3.053 1.00 0.00 N ATOM 177 CA LEU A 11 2.377 -5.874 3.087 1.00 0.00 C ATOM 178 C LEU A 11 1.994 -6.998 2.125 1.00 0.00 C ATOM 179 O LEU A 11 2.856 -7.758 1.681 1.00 0.00 O ATOM 180 CB LEU A 11 2.521 -6.416 4.514 1.00 0.00 C ATOM 181 CG LEU A 11 1.314 -7.185 5.068 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.337 -8.639 4.618 1.00 0.00 C ATOM 183 CD2 LEU A 11 1.291 -7.104 6.586 1.00 0.00 C ATOM 0 H LEU A 11 1.065 -4.493 3.969 1.00 0.00 H new ATOM 0 HA LEU A 11 3.338 -5.479 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.390 -7.073 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.730 -5.579 5.180 1.00 0.00 H new ATOM 0 HG LEU A 11 0.408 -6.723 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.470 -9.160 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.308 -8.683 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.249 -9.117 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.430 -7.653 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.206 -7.540 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.221 -6.061 6.894 1.00 0.00 H new ATOM 195 N THR A 12 0.706 -7.107 1.809 1.00 0.00 N ATOM 196 CA THR A 12 0.232 -8.145 0.897 1.00 0.00 C ATOM 197 C THR A 12 0.989 -8.092 -0.427 1.00 0.00 C ATOM 198 O THR A 12 1.242 -9.123 -1.052 1.00 0.00 O ATOM 199 CB THR A 12 -1.279 -8.009 0.618 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.021 -8.152 1.834 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.744 -9.057 -0.385 1.00 0.00 C ATOM 0 H THR A 12 -0.025 -6.493 2.169 1.00 0.00 H new ATOM 0 HA THR A 12 0.415 -9.103 1.384 1.00 0.00 H new ATOM 0 HB THR A 12 -1.455 -7.019 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.624 -7.585 2.528 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.813 -8.940 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.202 -8.929 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.550 -10.053 0.013 1.00 0.00 H new ATOM 209 N GLY A 13 1.349 -6.884 -0.846 1.00 0.00 N ATOM 210 CA GLY A 13 2.070 -6.713 -2.093 1.00 0.00 C ATOM 211 C GLY A 13 3.570 -6.580 -1.896 1.00 0.00 C ATOM 212 O GLY A 13 4.348 -7.189 -2.628 1.00 0.00 O ATOM 0 H GLY A 13 1.154 -6.018 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.868 -7.564 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.696 -5.826 -2.604 1.00 0.00 H new ATOM 216 N LEU A 14 3.975 -5.785 -0.907 1.00 0.00 N ATOM 217 CA LEU A 14 5.395 -5.575 -0.626 1.00 0.00 C ATOM 218 C LEU A 14 6.119 -6.898 -0.392 1.00 0.00 C ATOM 219 O LEU A 14 7.116 -7.197 -1.049 1.00 0.00 O ATOM 220 CB LEU A 14 5.580 -4.675 0.604 1.00 0.00 C ATOM 221 CG LEU A 14 5.355 -3.174 0.383 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.177 -2.668 -0.793 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.881 -2.874 0.173 1.00 0.00 C ATOM 0 H LEU A 14 3.343 -5.277 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 14 5.826 -5.088 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.896 -5.013 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.591 -4.818 0.984 1.00 0.00 H new ATOM 0 HG LEU A 14 5.686 -2.650 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.000 -1.601 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.236 -2.838 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.885 -3.202 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.746 -1.804 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.521 -3.415 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.317 -3.188 1.052 1.00 0.00 H new ATOM 235 N ASP A 15 5.608 -7.684 0.550 1.00 0.00 N ATOM 236 CA ASP A 15 6.207 -8.972 0.892 1.00 0.00 C ATOM 237 C ASP A 15 5.921 -10.031 -0.170 1.00 0.00 C ATOM 238 O ASP A 15 6.187 -11.216 0.042 1.00 0.00 O ATOM 239 CB ASP A 15 5.684 -9.442 2.250 1.00 0.00 C ATOM 240 CG ASP A 15 6.075 -8.506 3.377 1.00 0.00 C ATOM 241 OD1 ASP A 15 5.342 -7.523 3.611 1.00 0.00 O ATOM 242 OD2 ASP A 15 7.115 -8.754 4.022 1.00 0.00 O ATOM 0 H ASP A 15 4.777 -7.451 1.093 1.00 0.00 H new ATOM 0 HA ASP A 15 7.287 -8.835 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.598 -9.523 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.070 -10.439 2.459 1.00 0.00 H new ATOM 247 N HIS A 16 5.388 -9.609 -1.312 1.00 0.00 N ATOM 248 CA HIS A 16 5.071 -10.540 -2.389 1.00 0.00 C ATOM 249 C HIS A 16 5.798 -10.168 -3.680 1.00 0.00 C ATOM 250 O HIS A 16 6.036 -11.023 -4.534 1.00 0.00 O ATOM 251 CB HIS A 16 3.561 -10.577 -2.631 1.00 0.00 C ATOM 252 CG HIS A 16 3.148 -11.570 -3.671 1.00 0.00 C ATOM 253 ND1 HIS A 16 3.133 -12.932 -3.471 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.730 -11.375 -4.948 1.00 0.00 C ATOM 255 CE1 HIS A 16 2.718 -13.510 -4.607 1.00 0.00 C ATOM 256 NE2 HIS A 16 2.459 -12.608 -5.533 1.00 0.00 N ATOM 0 H HIS A 16 5.167 -8.634 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 16 5.410 -11.530 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.056 -10.813 -1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.225 -9.585 -2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.625 -10.416 -5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.610 -14.576 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.128 -12.779 -6.483 1.00 0.00 H new ATOM 264 N ILE A 17 6.153 -8.894 -3.819 1.00 0.00 N ATOM 265 CA ILE A 17 6.846 -8.425 -5.014 1.00 0.00 C ATOM 266 C ILE A 17 8.359 -8.507 -4.845 1.00 0.00 C ATOM 267 O ILE A 17 8.861 -8.679 -3.734 1.00 0.00 O ATOM 268 CB ILE A 17 6.455 -6.976 -5.362 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.800 -6.036 -4.204 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.972 -6.902 -5.701 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.577 -4.573 -4.520 1.00 0.00 C ATOM 0 H ILE A 17 5.973 -8.171 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 17 6.541 -9.080 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 17 7.024 -6.657 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.198 -6.307 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.844 -6.184 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.706 -5.874 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.762 -7.544 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.386 -7.235 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.843 -3.969 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.199 -4.285 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.528 -4.410 -4.768 1.00 0.00 H new ATOM 283 N THR A 18 9.077 -8.383 -5.955 1.00 0.00 N ATOM 284 CA THR A 18 10.532 -8.443 -5.936 1.00 0.00 C ATOM 285 C THR A 18 11.128 -7.081 -5.595 1.00 0.00 C ATOM 286 O THR A 18 10.483 -6.049 -5.778 1.00 0.00 O ATOM 287 CB THR A 18 11.094 -8.915 -7.292 1.00 0.00 C ATOM 288 OG1 THR A 18 10.343 -10.040 -7.766 1.00 0.00 O ATOM 289 CG2 THR A 18 12.560 -9.301 -7.169 1.00 0.00 C ATOM 0 H THR A 18 8.674 -8.240 -6.881 1.00 0.00 H new ATOM 0 HA THR A 18 10.812 -9.164 -5.168 1.00 0.00 H new ATOM 0 HB THR A 18 11.009 -8.091 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.704 -10.334 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.932 -9.630 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.136 -8.439 -6.833 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.664 -10.111 -6.447 1.00 0.00 H new ATOM 297 N GLU A 19 12.360 -7.087 -5.097 1.00 0.00 N ATOM 298 CA GLU A 19 13.042 -5.852 -4.726 1.00 0.00 C ATOM 299 C GLU A 19 13.233 -4.941 -5.936 1.00 0.00 C ATOM 300 O GLU A 19 13.223 -3.716 -5.807 1.00 0.00 O ATOM 301 CB GLU A 19 14.397 -6.168 -4.091 1.00 0.00 C ATOM 302 CG GLU A 19 15.305 -7.006 -4.978 1.00 0.00 C ATOM 303 CD GLU A 19 16.619 -7.354 -4.306 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.681 -8.404 -3.631 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.587 -6.579 -4.455 1.00 0.00 O ATOM 0 H GLU A 19 12.907 -7.934 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 19 12.418 -5.328 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.902 -5.233 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.234 -6.695 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.788 -7.925 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.506 -6.463 -5.901 1.00 0.00 H new ATOM 312 N GLU A 20 13.406 -5.544 -7.108 1.00 0.00 N ATOM 313 CA GLU A 20 13.603 -4.785 -8.340 1.00 0.00 C ATOM 314 C GLU A 20 12.376 -3.937 -8.671 1.00 0.00 C ATOM 315 O GLU A 20 12.501 -2.782 -9.076 1.00 0.00 O ATOM 316 CB GLU A 20 13.918 -5.730 -9.502 1.00 0.00 C ATOM 317 CG GLU A 20 12.823 -6.748 -9.777 1.00 0.00 C ATOM 318 CD GLU A 20 13.186 -7.709 -10.893 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.963 -7.362 -12.072 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.691 -8.810 -10.588 1.00 0.00 O ATOM 0 H GLU A 20 13.414 -6.556 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 20 14.448 -4.113 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.088 -5.140 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.847 -6.258 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.621 -7.313 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.903 -6.225 -10.038 1.00 0.00 H new ATOM 327 N GLU A 21 11.193 -4.517 -8.496 1.00 0.00 N ATOM 328 CA GLU A 21 9.945 -3.815 -8.776 1.00 0.00 C ATOM 329 C GLU A 21 9.608 -2.833 -7.658 1.00 0.00 C ATOM 330 O GLU A 21 8.931 -1.830 -7.879 1.00 0.00 O ATOM 331 CB GLU A 21 8.803 -4.813 -8.965 1.00 0.00 C ATOM 332 CG GLU A 21 9.016 -5.759 -10.138 1.00 0.00 C ATOM 333 CD GLU A 21 7.852 -6.708 -10.344 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.815 -7.758 -9.667 1.00 0.00 O ATOM 335 OE2 GLU A 21 6.980 -6.404 -11.184 1.00 0.00 O ATOM 0 H GLU A 21 11.072 -5.473 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 21 10.075 -3.250 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.686 -5.398 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.872 -4.265 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.169 -5.176 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.925 -6.337 -9.973 1.00 0.00 H new ATOM 342 N LEU A 22 10.074 -3.136 -6.453 1.00 0.00 N ATOM 343 CA LEU A 22 9.829 -2.280 -5.300 1.00 0.00 C ATOM 344 C LEU A 22 10.399 -0.880 -5.522 1.00 0.00 C ATOM 345 O LEU A 22 9.867 0.106 -5.014 1.00 0.00 O ATOM 346 CB LEU A 22 10.446 -2.901 -4.043 1.00 0.00 C ATOM 347 CG LEU A 22 10.408 -2.018 -2.793 1.00 0.00 C ATOM 348 CD1 LEU A 22 8.977 -1.648 -2.437 1.00 0.00 C ATOM 349 CD2 LEU A 22 11.084 -2.720 -1.624 1.00 0.00 C ATOM 0 H LEU A 22 10.625 -3.970 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 22 8.751 -2.192 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.926 -3.834 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.484 -3.157 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 22 10.954 -1.099 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.974 -1.020 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.525 -1.103 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.404 -2.555 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.048 -2.078 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.566 -3.655 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.123 -2.930 -1.877 1.00 0.00 H new ATOM 361 N LYS A 23 11.485 -0.806 -6.286 1.00 0.00 N ATOM 362 CA LYS A 23 12.141 0.468 -6.566 1.00 0.00 C ATOM 363 C LYS A 23 11.302 1.350 -7.490 1.00 0.00 C ATOM 364 O LYS A 23 11.106 2.534 -7.215 1.00 0.00 O ATOM 365 CB LYS A 23 13.518 0.223 -7.186 1.00 0.00 C ATOM 366 CG LYS A 23 14.466 -0.537 -6.272 1.00 0.00 C ATOM 367 CD LYS A 23 15.865 -0.634 -6.862 1.00 0.00 C ATOM 368 CE LYS A 23 15.895 -1.520 -8.098 1.00 0.00 C ATOM 369 NZ LYS A 23 17.268 -1.646 -8.660 1.00 0.00 N ATOM 0 H LYS A 23 11.930 -1.613 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 23 12.255 0.995 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.396 -0.334 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.967 1.182 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.514 -0.039 -5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.076 -1.539 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.221 0.363 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.549 -1.032 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.515 -2.510 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.229 -1.108 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.244 -2.258 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.622 -0.705 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.898 -2.063 -7.946 1.00 0.00 H new ATOM 383 N ARG A 24 10.813 0.774 -8.584 1.00 0.00 N ATOM 384 CA ARG A 24 10.009 1.527 -9.543 1.00 0.00 C ATOM 385 C ARG A 24 8.687 1.980 -8.929 1.00 0.00 C ATOM 386 O ARG A 24 8.190 3.061 -9.241 1.00 0.00 O ATOM 387 CB ARG A 24 9.745 0.693 -10.800 1.00 0.00 C ATOM 388 CG ARG A 24 8.992 -0.598 -10.535 1.00 0.00 C ATOM 389 CD ARG A 24 8.724 -1.358 -11.823 1.00 0.00 C ATOM 390 NE ARG A 24 7.910 -0.582 -12.754 1.00 0.00 N ATOM 391 CZ ARG A 24 7.986 -0.699 -14.076 1.00 0.00 C ATOM 392 NH1 ARG A 24 8.822 -1.570 -14.623 1.00 0.00 N ATOM 393 NH2 ARG A 24 7.222 0.055 -14.854 1.00 0.00 N ATOM 0 H ARG A 24 10.958 -0.206 -8.828 1.00 0.00 H new ATOM 0 HA ARG A 24 10.577 2.415 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.177 1.294 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.698 0.456 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.569 -1.224 -9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.047 -0.375 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.671 -1.615 -12.297 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.218 -2.296 -11.593 1.00 0.00 H new ATOM 0 HE ARG A 24 7.245 0.088 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.411 -2.154 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.877 -1.656 -15.638 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.575 0.725 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.281 -0.035 -15.868 1.00 0.00 H new ATOM 407 N PHE A 25 8.122 1.151 -8.055 1.00 0.00 N ATOM 408 CA PHE A 25 6.856 1.480 -7.406 1.00 0.00 C ATOM 409 C PHE A 25 6.989 2.737 -6.552 1.00 0.00 C ATOM 410 O PHE A 25 6.243 3.701 -6.730 1.00 0.00 O ATOM 411 CB PHE A 25 6.378 0.309 -6.544 1.00 0.00 C ATOM 412 CG PHE A 25 5.128 0.608 -5.765 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.923 0.815 -6.416 1.00 0.00 C ATOM 414 CD2 PHE A 25 5.161 0.686 -4.382 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.773 1.095 -5.701 1.00 0.00 C ATOM 416 CE2 PHE A 25 4.014 0.965 -3.663 1.00 0.00 C ATOM 417 CZ PHE A 25 2.819 1.168 -4.323 1.00 0.00 C ATOM 0 H PHE A 25 8.518 0.252 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 25 6.119 1.671 -8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.199 -0.554 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.171 0.032 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.881 0.757 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.093 0.527 -3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.840 1.256 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.053 1.024 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.921 1.384 -3.763 1.00 0.00 H new ATOM 427 N LYS A 26 7.941 2.719 -5.625 1.00 0.00 N ATOM 428 CA LYS A 26 8.174 3.857 -4.740 1.00 0.00 C ATOM 429 C LYS A 26 8.489 5.119 -5.538 1.00 0.00 C ATOM 430 O LYS A 26 8.272 6.234 -5.061 1.00 0.00 O ATOM 431 CB LYS A 26 9.320 3.549 -3.775 1.00 0.00 C ATOM 432 CG LYS A 26 8.932 2.607 -2.646 1.00 0.00 C ATOM 433 CD LYS A 26 7.890 3.232 -1.732 1.00 0.00 C ATOM 434 CE LYS A 26 7.576 2.335 -0.547 1.00 0.00 C ATOM 435 NZ LYS A 26 8.710 2.268 0.416 1.00 0.00 N ATOM 0 H LYS A 26 8.565 1.928 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 26 7.262 4.033 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.146 3.110 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.685 4.483 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.542 1.679 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.818 2.348 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.251 4.196 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.977 3.423 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.688 2.706 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.343 1.332 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.888 1.276 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.563 2.670 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.472 2.810 1.271 1.00 0.00 H new ATOM 449 N TYR A 27 8.997 4.936 -6.750 1.00 0.00 N ATOM 450 CA TYR A 27 9.341 6.060 -7.613 1.00 0.00 C ATOM 451 C TYR A 27 8.086 6.761 -8.126 1.00 0.00 C ATOM 452 O TYR A 27 8.063 7.984 -8.267 1.00 0.00 O ATOM 453 CB TYR A 27 10.193 5.580 -8.790 1.00 0.00 C ATOM 454 CG TYR A 27 10.577 6.680 -9.756 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.614 7.556 -9.464 1.00 0.00 C ATOM 456 CD2 TYR A 27 9.903 6.840 -10.962 1.00 0.00 C ATOM 457 CE1 TYR A 27 11.969 8.560 -10.343 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.254 7.842 -11.846 1.00 0.00 C ATOM 459 CZ TYR A 27 11.287 8.700 -11.533 1.00 0.00 C ATOM 460 OH TYR A 27 11.639 9.698 -12.411 1.00 0.00 O ATOM 0 H TYR A 27 9.180 4.019 -7.158 1.00 0.00 H new ATOM 0 HA TYR A 27 9.915 6.776 -7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.100 5.116 -8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.646 4.809 -9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.152 7.450 -8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.093 6.171 -11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.778 9.233 -10.099 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.721 7.953 -12.779 1.00 0.00 H new ATOM 0 HH TYR A 27 11.061 9.658 -13.201 1.00 0.00 H new ATOM 470 N PHE A 28 7.045 5.981 -8.404 1.00 0.00 N ATOM 471 CA PHE A 28 5.791 6.534 -8.906 1.00 0.00 C ATOM 472 C PHE A 28 4.951 7.132 -7.781 1.00 0.00 C ATOM 473 O PHE A 28 4.514 8.280 -7.872 1.00 0.00 O ATOM 474 CB PHE A 28 4.990 5.461 -9.648 1.00 0.00 C ATOM 475 CG PHE A 28 5.522 5.166 -11.022 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.375 6.089 -12.046 1.00 0.00 C ATOM 477 CD2 PHE A 28 6.169 3.971 -11.290 1.00 0.00 C ATOM 478 CE1 PHE A 28 5.865 5.825 -13.311 1.00 0.00 C ATOM 479 CE2 PHE A 28 6.660 3.701 -12.553 1.00 0.00 C ATOM 480 CZ PHE A 28 6.508 4.629 -13.565 1.00 0.00 C ATOM 0 H PHE A 28 7.045 4.967 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 28 6.041 7.336 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.993 4.543 -9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.952 5.784 -9.729 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.872 7.025 -11.853 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.291 3.242 -10.503 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.745 6.553 -14.100 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.162 2.765 -12.749 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.891 4.420 -14.553 1.00 0.00 H new ATOM 490 N ALA A 29 4.724 6.358 -6.723 1.00 0.00 N ATOM 491 CA ALA A 29 3.929 6.836 -5.597 1.00 0.00 C ATOM 492 C ALA A 29 4.618 8.006 -4.903 1.00 0.00 C ATOM 493 O ALA A 29 4.019 9.065 -4.714 1.00 0.00 O ATOM 494 CB ALA A 29 3.682 5.712 -4.603 1.00 0.00 C ATOM 0 H ALA A 29 5.076 5.406 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 29 2.970 7.180 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.088 6.087 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.145 4.902 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.636 5.340 -4.229 1.00 0.00 H new ATOM 500 N LEU A 30 5.878 7.808 -4.526 1.00 0.00 N ATOM 501 CA LEU A 30 6.644 8.858 -3.865 1.00 0.00 C ATOM 502 C LEU A 30 7.537 9.583 -4.869 1.00 0.00 C ATOM 503 O LEU A 30 8.676 9.179 -5.101 1.00 0.00 O ATOM 504 CB LEU A 30 7.501 8.277 -2.729 1.00 0.00 C ATOM 505 CG LEU A 30 6.735 7.582 -1.591 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.581 8.445 -1.100 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.235 6.215 -2.031 1.00 0.00 C ATOM 0 H LEU A 30 6.387 6.935 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 30 5.938 9.571 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.201 7.560 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.095 9.084 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 30 7.427 7.441 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.057 7.929 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.968 9.394 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.890 8.631 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.696 5.743 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.567 6.329 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.083 5.592 -2.315 1.00 0.00 H new ATOM 519 N THR A 31 7.014 10.650 -5.467 1.00 0.00 N ATOM 520 CA THR A 31 7.777 11.419 -6.444 1.00 0.00 C ATOM 521 C THR A 31 8.540 12.560 -5.779 1.00 0.00 C ATOM 522 O THR A 31 9.743 12.720 -5.984 1.00 0.00 O ATOM 523 CB THR A 31 6.864 11.998 -7.540 1.00 0.00 C ATOM 524 OG1 THR A 31 5.885 12.865 -6.956 1.00 0.00 O ATOM 525 CG2 THR A 31 6.168 10.884 -8.307 1.00 0.00 C ATOM 0 H THR A 31 6.072 11.000 -5.294 1.00 0.00 H new ATOM 0 HA THR A 31 8.488 10.729 -6.899 1.00 0.00 H new ATOM 0 HB THR A 31 7.483 12.566 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.310 13.230 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.528 11.317 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.915 10.243 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.561 10.293 -7.620 1.00 0.00 H new ATOM 533 N GLU A 32 7.830 13.350 -4.981 1.00 0.00 N ATOM 534 CA GLU A 32 8.435 14.479 -4.283 1.00 0.00 C ATOM 535 C GLU A 32 8.821 14.100 -2.857 1.00 0.00 C ATOM 536 O GLU A 32 9.546 14.834 -2.184 1.00 0.00 O ATOM 537 CB GLU A 32 7.472 15.668 -4.263 1.00 0.00 C ATOM 538 CG GLU A 32 7.018 16.106 -5.646 1.00 0.00 C ATOM 539 CD GLU A 32 8.172 16.540 -6.527 1.00 0.00 C ATOM 540 OE1 GLU A 32 8.754 15.673 -7.212 1.00 0.00 O ATOM 541 OE2 GLU A 32 8.494 17.747 -6.533 1.00 0.00 O ATOM 0 H GLU A 32 6.833 13.229 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 32 9.341 14.760 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.597 15.406 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.956 16.508 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.487 15.285 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.310 16.929 -5.548 1.00 0.00 H new ATOM 548 N PHE A 33 8.329 12.953 -2.401 1.00 0.00 N ATOM 549 CA PHE A 33 8.609 12.485 -1.049 1.00 0.00 C ATOM 550 C PHE A 33 9.958 11.776 -0.975 1.00 0.00 C ATOM 551 O PHE A 33 10.571 11.710 0.091 1.00 0.00 O ATOM 552 CB PHE A 33 7.493 11.551 -0.581 1.00 0.00 C ATOM 553 CG PHE A 33 6.120 12.143 -0.736 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.647 13.076 0.174 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.305 11.771 -1.794 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.387 13.626 0.030 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.045 12.318 -1.941 1.00 0.00 C ATOM 558 CZ PHE A 33 3.585 13.246 -1.029 1.00 0.00 C ATOM 0 H PHE A 33 7.734 12.330 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 33 8.653 13.353 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.546 10.621 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.656 11.297 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.269 13.376 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.659 11.045 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.030 14.352 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.420 12.019 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.600 13.674 -1.143 1.00 0.00 H new ATOM 568 N GLN A 34 10.418 11.260 -2.114 1.00 0.00 N ATOM 569 CA GLN A 34 11.702 10.563 -2.180 1.00 0.00 C ATOM 570 C GLN A 34 11.867 9.580 -1.023 1.00 0.00 C ATOM 571 O GLN A 34 12.684 9.796 -0.127 1.00 0.00 O ATOM 572 CB GLN A 34 12.851 11.573 -2.179 1.00 0.00 C ATOM 573 CG GLN A 34 12.875 12.469 -3.406 1.00 0.00 C ATOM 574 CD GLN A 34 14.031 13.451 -3.391 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.436 13.875 -2.198 1.00 0.00 O flip ATOM 576 NE2 GLN A 34 14.554 13.827 -4.440 1.00 0.00 N flip ATOM 0 H GLN A 34 9.921 11.311 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 34 11.724 9.993 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.776 12.195 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.797 11.035 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.941 11.851 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.936 13.020 -3.467 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.212 13.476 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.329 14.489 -4.415 1.00 0.00 H new ATOM 585 N ILE A 35 11.072 8.512 -1.040 1.00 0.00 N ATOM 586 CA ILE A 35 11.127 7.494 0.006 1.00 0.00 C ATOM 587 C ILE A 35 12.569 7.043 0.256 1.00 0.00 C ATOM 588 O ILE A 35 13.416 7.125 -0.634 1.00 0.00 O ATOM 589 CB ILE A 35 10.249 6.273 -0.360 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.711 5.595 0.903 1.00 0.00 C ATOM 591 CG2 ILE A 35 11.027 5.276 -1.209 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.436 6.223 1.432 1.00 0.00 C ATOM 0 H ILE A 35 10.381 8.329 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 35 10.737 7.942 0.920 1.00 0.00 H new ATOM 0 HB ILE A 35 9.403 6.632 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.526 4.542 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.475 5.634 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.387 4.428 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.354 5.759 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.897 4.926 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.113 5.692 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.620 7.269 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.657 6.160 0.672 1.00 0.00 H new ATOM 604 N ALA A 36 12.841 6.567 1.469 1.00 0.00 N ATOM 605 CA ALA A 36 14.182 6.118 1.831 1.00 0.00 C ATOM 606 C ALA A 36 14.450 4.699 1.338 1.00 0.00 C ATOM 607 O ALA A 36 13.581 3.830 1.407 1.00 0.00 O ATOM 608 CB ALA A 36 14.374 6.204 3.336 1.00 0.00 C ATOM 0 H ALA A 36 12.152 6.483 2.216 1.00 0.00 H new ATOM 0 HA ALA A 36 14.900 6.777 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.378 5.867 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.243 7.236 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.639 5.571 3.833 1.00 0.00 H new ATOM 614 N ARG A 37 15.663 4.477 0.838 1.00 0.00 N ATOM 615 CA ARG A 37 16.062 3.169 0.326 1.00 0.00 C ATOM 616 C ARG A 37 16.141 2.133 1.445 1.00 0.00 C ATOM 617 O ARG A 37 15.583 1.042 1.333 1.00 0.00 O ATOM 618 CB ARG A 37 17.418 3.271 -0.380 1.00 0.00 C ATOM 619 CG ARG A 37 17.899 1.957 -0.975 1.00 0.00 C ATOM 620 CD ARG A 37 17.061 1.546 -2.175 1.00 0.00 C ATOM 621 NE ARG A 37 17.282 2.425 -3.321 1.00 0.00 N ATOM 622 CZ ARG A 37 16.427 2.546 -4.333 1.00 0.00 C ATOM 623 NH1 ARG A 37 15.294 1.859 -4.336 1.00 0.00 N ATOM 624 NH2 ARG A 37 16.706 3.358 -5.344 1.00 0.00 N ATOM 0 H ARG A 37 16.390 5.190 0.777 1.00 0.00 H new ATOM 0 HA ARG A 37 15.303 2.844 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.349 4.015 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.161 3.631 0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.942 2.053 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.856 1.176 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.303 0.520 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.006 1.562 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 37 18.140 2.977 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.074 1.234 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.641 1.955 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.576 3.890 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.050 3.451 -6.120 1.00 0.00 H new ATOM 638 N SER A 38 16.838 2.482 2.522 1.00 0.00 N ATOM 639 CA SER A 38 16.998 1.579 3.657 1.00 0.00 C ATOM 640 C SER A 38 15.649 1.234 4.278 1.00 0.00 C ATOM 641 O SER A 38 15.470 0.156 4.845 1.00 0.00 O ATOM 642 CB SER A 38 17.911 2.211 4.710 1.00 0.00 C ATOM 643 OG SER A 38 19.197 2.476 4.177 1.00 0.00 O ATOM 0 H SER A 38 17.301 3.384 2.633 1.00 0.00 H new ATOM 0 HA SER A 38 17.453 0.658 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.466 3.138 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.000 1.543 5.567 1.00 0.00 H new ATOM 0 HG SER A 38 19.761 2.881 4.869 1.00 0.00 H new ATOM 649 N THR A 39 14.702 2.157 4.162 1.00 0.00 N ATOM 650 CA THR A 39 13.365 1.965 4.707 1.00 0.00 C ATOM 651 C THR A 39 12.682 0.739 4.099 1.00 0.00 C ATOM 652 O THR A 39 11.838 0.110 4.739 1.00 0.00 O ATOM 653 CB THR A 39 12.492 3.215 4.465 1.00 0.00 C ATOM 654 OG1 THR A 39 12.907 4.273 5.336 1.00 0.00 O ATOM 655 CG2 THR A 39 11.019 2.919 4.692 1.00 0.00 C ATOM 0 H THR A 39 14.838 3.052 3.692 1.00 0.00 H new ATOM 0 HA THR A 39 13.474 1.803 5.779 1.00 0.00 H new ATOM 0 HB THR A 39 12.622 3.517 3.426 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.186 4.931 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.435 3.821 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.696 2.135 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.869 2.588 5.719 1.00 0.00 H new ATOM 663 N LEU A 40 13.067 0.394 2.873 1.00 0.00 N ATOM 664 CA LEU A 40 12.483 -0.750 2.172 1.00 0.00 C ATOM 665 C LEU A 40 12.637 -2.051 2.963 1.00 0.00 C ATOM 666 O LEU A 40 12.085 -3.083 2.581 1.00 0.00 O ATOM 667 CB LEU A 40 13.122 -0.909 0.789 1.00 0.00 C ATOM 668 CG LEU A 40 13.001 0.309 -0.131 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.658 0.029 -1.474 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.542 0.695 -0.322 1.00 0.00 C ATOM 0 H LEU A 40 13.782 0.891 2.342 1.00 0.00 H new ATOM 0 HA LEU A 40 11.417 -0.550 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.179 -1.142 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.666 -1.766 0.292 1.00 0.00 H new ATOM 0 HG LEU A 40 13.518 1.146 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.563 0.905 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.714 -0.197 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.169 -0.822 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.478 1.563 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.000 -0.139 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.101 0.938 0.644 1.00 0.00 H new ATOM 682 N ASP A 41 13.388 -2.000 4.059 1.00 0.00 N ATOM 683 CA ASP A 41 13.603 -3.179 4.892 1.00 0.00 C ATOM 684 C ASP A 41 12.287 -3.683 5.488 1.00 0.00 C ATOM 685 O ASP A 41 11.829 -4.779 5.168 1.00 0.00 O ATOM 686 CB ASP A 41 14.596 -2.861 6.011 1.00 0.00 C ATOM 687 CG ASP A 41 15.026 -4.098 6.775 1.00 0.00 C ATOM 688 OD1 ASP A 41 14.316 -4.485 7.726 1.00 0.00 O ATOM 689 OD2 ASP A 41 16.074 -4.679 6.422 1.00 0.00 O ATOM 0 H ASP A 41 13.857 -1.157 4.391 1.00 0.00 H new ATOM 0 HA ASP A 41 14.014 -3.967 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.475 -2.377 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.144 -2.150 6.702 1.00 0.00 H new ATOM 694 N VAL A 42 11.687 -2.871 6.356 1.00 0.00 N ATOM 695 CA VAL A 42 10.425 -3.228 7.004 1.00 0.00 C ATOM 696 C VAL A 42 9.305 -2.283 6.585 1.00 0.00 C ATOM 697 O VAL A 42 8.244 -2.249 7.209 1.00 0.00 O ATOM 698 CB VAL A 42 10.548 -3.193 8.538 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.275 -4.426 9.049 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.257 -1.925 8.987 1.00 0.00 C ATOM 0 H VAL A 42 12.055 -1.959 6.628 1.00 0.00 H new ATOM 0 HA VAL A 42 10.187 -4.243 6.685 1.00 0.00 H new ATOM 0 HB VAL A 42 9.544 -3.193 8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.350 -4.380 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.722 -5.320 8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.275 -4.464 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.335 -1.917 10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.256 -1.893 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.689 -1.055 8.658 1.00 0.00 H new ATOM 710 N ALA A 43 9.554 -1.522 5.527 1.00 0.00 N ATOM 711 CA ALA A 43 8.584 -0.558 5.016 1.00 0.00 C ATOM 712 C ALA A 43 7.175 -1.130 4.932 1.00 0.00 C ATOM 713 O ALA A 43 6.207 -0.458 5.263 1.00 0.00 O ATOM 714 CB ALA A 43 9.018 -0.056 3.647 1.00 0.00 C ATOM 0 H ALA A 43 10.427 -1.554 5.001 1.00 0.00 H new ATOM 0 HA ALA A 43 8.555 0.269 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.288 0.662 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.992 0.426 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.085 -0.896 2.956 1.00 0.00 H new ATOM 720 N ASP A 44 7.061 -2.390 4.570 1.00 0.00 N ATOM 721 CA ASP A 44 5.747 -2.987 4.391 1.00 0.00 C ATOM 722 C ASP A 44 4.863 -2.860 5.631 1.00 0.00 C ATOM 723 O ASP A 44 3.740 -2.364 5.536 1.00 0.00 O ATOM 724 CB ASP A 44 5.897 -4.463 4.019 1.00 0.00 C ATOM 725 CG ASP A 44 6.638 -5.255 5.080 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.886 -5.257 5.057 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.967 -5.874 5.933 1.00 0.00 O ATOM 0 H ASP A 44 7.847 -3.016 4.395 1.00 0.00 H new ATOM 0 HA ASP A 44 5.255 -2.439 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.909 -4.899 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.429 -4.544 3.071 1.00 0.00 H new ATOM 732 N ARG A 45 5.346 -3.296 6.789 1.00 0.00 N ATOM 733 CA ARG A 45 4.530 -3.220 7.999 1.00 0.00 C ATOM 734 C ARG A 45 4.493 -1.838 8.678 1.00 0.00 C ATOM 735 O ARG A 45 3.436 -1.215 8.772 1.00 0.00 O ATOM 736 CB ARG A 45 4.991 -4.285 9.003 1.00 0.00 C ATOM 737 CG ARG A 45 6.473 -4.221 9.345 1.00 0.00 C ATOM 738 CD ARG A 45 6.924 -5.464 10.095 1.00 0.00 C ATOM 739 NE ARG A 45 8.311 -5.362 10.542 1.00 0.00 N ATOM 740 CZ ARG A 45 8.912 -6.276 11.299 1.00 0.00 C ATOM 741 NH1 ARG A 45 8.250 -7.357 11.691 1.00 0.00 N ATOM 742 NH2 ARG A 45 10.176 -6.110 11.665 1.00 0.00 N ATOM 0 H ARG A 45 6.275 -3.697 6.917 1.00 0.00 H new ATOM 0 HA ARG A 45 3.507 -3.405 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.413 -4.177 9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.765 -5.272 8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.055 -4.116 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.670 -3.337 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.276 -5.622 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.814 -6.336 9.450 1.00 0.00 H new ATOM 0 HE ARG A 45 8.849 -4.544 10.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.278 -7.489 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.713 -8.056 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.689 -5.281 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.635 -6.812 12.245 1.00 0.00 H new ATOM 756 N THR A 46 5.651 -1.368 9.149 1.00 0.00 N ATOM 757 CA THR A 46 5.736 -0.106 9.897 1.00 0.00 C ATOM 758 C THR A 46 5.857 1.193 9.087 1.00 0.00 C ATOM 759 O THR A 46 5.021 2.090 9.211 1.00 0.00 O ATOM 760 CB THR A 46 6.916 -0.159 10.886 1.00 0.00 C ATOM 761 OG1 THR A 46 6.806 -1.322 11.716 1.00 0.00 O ATOM 762 CG2 THR A 46 6.951 1.087 11.760 1.00 0.00 C ATOM 0 H THR A 46 6.546 -1.842 9.026 1.00 0.00 H new ATOM 0 HA THR A 46 4.763 -0.048 10.385 1.00 0.00 H new ATOM 0 HB THR A 46 7.840 -0.206 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.560 -1.350 12.341 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.793 1.024 12.449 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.062 1.970 11.131 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.023 1.160 12.327 1.00 0.00 H new ATOM 770 N GLU A 47 6.898 1.287 8.263 1.00 0.00 N ATOM 771 CA GLU A 47 7.206 2.524 7.535 1.00 0.00 C ATOM 772 C GLU A 47 6.242 2.913 6.411 1.00 0.00 C ATOM 773 O GLU A 47 5.652 3.990 6.457 1.00 0.00 O ATOM 774 CB GLU A 47 8.628 2.433 6.986 1.00 0.00 C ATOM 775 CG GLU A 47 9.653 3.167 7.836 1.00 0.00 C ATOM 776 CD GLU A 47 9.418 4.665 7.866 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.943 5.366 6.974 1.00 0.00 O ATOM 778 OE2 GLU A 47 8.711 5.139 8.780 1.00 0.00 O ATOM 0 H GLU A 47 7.546 0.521 8.080 1.00 0.00 H new ATOM 0 HA GLU A 47 7.093 3.321 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.914 1.384 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.646 2.841 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.622 2.777 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.652 2.967 7.448 1.00 0.00 H new ATOM 785 N LEU A 48 6.084 2.062 5.409 1.00 0.00 N ATOM 786 CA LEU A 48 5.216 2.379 4.272 1.00 0.00 C ATOM 787 C LEU A 48 3.815 2.786 4.715 1.00 0.00 C ATOM 788 O LEU A 48 3.218 3.686 4.132 1.00 0.00 O ATOM 789 CB LEU A 48 5.128 1.199 3.299 1.00 0.00 C ATOM 790 CG LEU A 48 5.222 1.568 1.818 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.196 0.316 0.954 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.096 2.511 1.422 1.00 0.00 C ATOM 0 H LEU A 48 6.540 1.151 5.354 1.00 0.00 H new ATOM 0 HA LEU A 48 5.669 3.229 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.927 0.495 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.185 0.679 3.468 1.00 0.00 H new ATOM 0 HG LEU A 48 6.169 2.082 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.264 0.598 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.040 -0.323 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.265 -0.225 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.184 2.759 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.136 2.027 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.160 3.423 2.015 1.00 0.00 H new ATOM 804 N ALA A 49 3.298 2.134 5.749 1.00 0.00 N ATOM 805 CA ALA A 49 1.958 2.437 6.238 1.00 0.00 C ATOM 806 C ALA A 49 1.855 3.854 6.799 1.00 0.00 C ATOM 807 O ALA A 49 1.014 4.641 6.367 1.00 0.00 O ATOM 808 CB ALA A 49 1.547 1.423 7.296 1.00 0.00 C ATOM 0 H ALA A 49 3.782 1.397 6.262 1.00 0.00 H new ATOM 0 HA ALA A 49 1.278 2.374 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.545 1.658 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.552 0.423 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.249 1.461 8.129 1.00 0.00 H new ATOM 814 N ASP A 50 2.718 4.175 7.756 1.00 0.00 N ATOM 815 CA ASP A 50 2.712 5.492 8.394 1.00 0.00 C ATOM 816 C ASP A 50 3.147 6.612 7.448 1.00 0.00 C ATOM 817 O ASP A 50 2.646 7.734 7.534 1.00 0.00 O ATOM 818 CB ASP A 50 3.615 5.480 9.628 1.00 0.00 C ATOM 819 CG ASP A 50 3.044 4.643 10.757 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.319 3.426 10.790 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.322 5.205 11.606 1.00 0.00 O ATOM 0 H ASP A 50 3.434 3.541 8.110 1.00 0.00 H new ATOM 0 HA ASP A 50 1.682 5.698 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.596 5.092 9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.762 6.502 9.976 1.00 0.00 H new ATOM 826 N HIS A 51 4.077 6.309 6.547 1.00 0.00 N ATOM 827 CA HIS A 51 4.601 7.311 5.618 1.00 0.00 C ATOM 828 C HIS A 51 3.531 7.861 4.676 1.00 0.00 C ATOM 829 O HIS A 51 3.288 9.067 4.645 1.00 0.00 O ATOM 830 CB HIS A 51 5.749 6.725 4.793 1.00 0.00 C ATOM 831 CG HIS A 51 6.455 7.747 3.955 1.00 0.00 C ATOM 832 ND1 HIS A 51 5.987 8.200 2.742 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.615 8.416 4.183 1.00 0.00 C ATOM 834 CE1 HIS A 51 6.855 9.110 2.280 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.861 9.277 3.118 1.00 0.00 N ATOM 0 H HIS A 51 4.484 5.380 6.439 1.00 0.00 H new ATOM 0 HA HIS A 51 4.962 8.139 6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.468 6.256 5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.359 5.940 4.145 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.246 8.298 5.052 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.746 9.638 1.344 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.655 9.907 3.008 1.00 0.00 H new ATOM 843 N LEU A 52 2.899 6.978 3.909 1.00 0.00 N ATOM 844 CA LEU A 52 1.879 7.393 2.949 1.00 0.00 C ATOM 845 C LEU A 52 0.772 8.219 3.603 1.00 0.00 C ATOM 846 O LEU A 52 0.190 9.098 2.966 1.00 0.00 O ATOM 847 CB LEU A 52 1.293 6.180 2.218 1.00 0.00 C ATOM 848 CG LEU A 52 0.795 5.035 3.107 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.607 5.313 3.627 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.823 3.726 2.337 1.00 0.00 C ATOM 0 H LEU A 52 3.074 5.973 3.932 1.00 0.00 H new ATOM 0 HA LEU A 52 2.370 8.036 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.463 6.520 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.053 5.785 1.543 1.00 0.00 H new ATOM 0 HG LEU A 52 1.462 4.957 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.933 4.484 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.602 6.232 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.292 5.423 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.467 2.919 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.178 3.805 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.843 3.513 2.018 1.00 0.00 H new ATOM 862 N ILE A 53 0.475 7.931 4.868 1.00 0.00 N ATOM 863 CA ILE A 53 -0.569 8.654 5.592 1.00 0.00 C ATOM 864 C ILE A 53 -0.338 10.164 5.545 1.00 0.00 C ATOM 865 O ILE A 53 -1.288 10.945 5.490 1.00 0.00 O ATOM 866 CB ILE A 53 -0.657 8.196 7.065 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.129 6.743 7.140 1.00 0.00 C ATOM 868 CG2 ILE A 53 -1.596 9.102 7.853 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.057 6.151 8.533 1.00 0.00 C ATOM 0 H ILE A 53 0.941 7.205 5.412 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.511 8.424 5.094 1.00 0.00 H new ATOM 0 HB ILE A 53 0.336 8.264 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.157 6.685 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.523 6.138 6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.645 8.763 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.224 10.126 7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.592 9.065 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.407 5.119 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.026 6.176 8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.686 6.732 9.208 1.00 0.00 H new ATOM 881 N GLN A 54 0.925 10.571 5.566 1.00 0.00 N ATOM 882 CA GLN A 54 1.270 11.988 5.531 1.00 0.00 C ATOM 883 C GLN A 54 0.965 12.603 4.168 1.00 0.00 C ATOM 884 O GLN A 54 0.705 13.802 4.063 1.00 0.00 O ATOM 885 CB GLN A 54 2.750 12.185 5.868 1.00 0.00 C ATOM 886 CG GLN A 54 3.124 11.721 7.267 1.00 0.00 C ATOM 887 CD GLN A 54 4.576 11.998 7.603 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.912 13.061 8.126 1.00 0.00 O ATOM 889 NE2 GLN A 54 5.447 11.041 7.303 1.00 0.00 N ATOM 0 H GLN A 54 1.727 9.942 5.607 1.00 0.00 H new ATOM 0 HA GLN A 54 0.659 12.494 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.355 11.643 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.000 13.241 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.485 12.221 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.932 10.652 7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.125 10.175 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.438 11.172 7.506 1.00 0.00 H new ATOM 898 N SER A 55 0.997 11.779 3.125 1.00 0.00 N ATOM 899 CA SER A 55 0.739 12.252 1.768 1.00 0.00 C ATOM 900 C SER A 55 -0.729 12.621 1.562 1.00 0.00 C ATOM 901 O SER A 55 -1.044 13.759 1.211 1.00 0.00 O ATOM 902 CB SER A 55 1.152 11.185 0.753 1.00 0.00 C ATOM 903 OG SER A 55 0.894 11.613 -0.573 1.00 0.00 O ATOM 0 H SER A 55 1.199 10.781 3.193 1.00 0.00 H new ATOM 0 HA SER A 55 1.333 13.153 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.213 10.963 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.610 10.261 0.952 1.00 0.00 H new ATOM 0 HG SER A 55 1.678 12.086 -0.923 1.00 0.00 H new ATOM 909 N ALA A 56 -1.624 11.661 1.777 1.00 0.00 N ATOM 910 CA ALA A 56 -3.054 11.903 1.598 1.00 0.00 C ATOM 911 C ALA A 56 -3.848 11.584 2.862 1.00 0.00 C ATOM 912 O ALA A 56 -4.833 12.254 3.173 1.00 0.00 O ATOM 913 CB ALA A 56 -3.581 11.085 0.429 1.00 0.00 C ATOM 0 H ALA A 56 -1.388 10.714 2.073 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.184 12.964 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.647 11.273 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.054 11.370 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.420 10.025 0.625 1.00 0.00 H new ATOM 919 N GLY A 57 -3.414 10.557 3.585 1.00 0.00 N ATOM 920 CA GLY A 57 -4.099 10.160 4.803 1.00 0.00 C ATOM 921 C GLY A 57 -4.114 8.657 4.985 1.00 0.00 C ATOM 922 O GLY A 57 -3.513 7.928 4.199 1.00 0.00 O ATOM 0 H GLY A 57 -2.599 9.991 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.611 10.624 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.123 10.532 4.780 1.00 0.00 H new ATOM 926 N ALA A 58 -4.796 8.189 6.024 1.00 0.00 N ATOM 927 CA ALA A 58 -4.874 6.759 6.296 1.00 0.00 C ATOM 928 C ALA A 58 -5.753 6.041 5.275 1.00 0.00 C ATOM 929 O ALA A 58 -5.258 5.286 4.441 1.00 0.00 O ATOM 930 CB ALA A 58 -5.400 6.520 7.703 1.00 0.00 C ATOM 0 H ALA A 58 -5.300 8.776 6.689 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.867 6.349 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.454 5.448 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.729 6.984 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.394 6.956 7.799 1.00 0.00 H new ATOM 936 N ALA A 59 -7.056 6.289 5.340 1.00 0.00 N ATOM 937 CA ALA A 59 -8.005 5.654 4.430 1.00 0.00 C ATOM 938 C ALA A 59 -7.839 6.141 2.992 1.00 0.00 C ATOM 939 O ALA A 59 -8.051 5.384 2.046 1.00 0.00 O ATOM 940 CB ALA A 59 -9.428 5.898 4.905 1.00 0.00 C ATOM 0 H ALA A 59 -7.481 6.926 6.014 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.797 4.584 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.128 5.420 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.555 5.479 5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.623 6.970 4.934 1.00 0.00 H new ATOM 946 N SER A 60 -7.458 7.403 2.834 1.00 0.00 N ATOM 947 CA SER A 60 -7.289 7.991 1.507 1.00 0.00 C ATOM 948 C SER A 60 -6.125 7.362 0.740 1.00 0.00 C ATOM 949 O SER A 60 -6.281 6.954 -0.410 1.00 0.00 O ATOM 950 CB SER A 60 -7.076 9.501 1.623 1.00 0.00 C ATOM 951 OG SER A 60 -8.184 10.127 2.248 1.00 0.00 O ATOM 0 H SER A 60 -7.260 8.040 3.606 1.00 0.00 H new ATOM 0 HA SER A 60 -8.201 7.789 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.171 9.701 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.926 9.927 0.631 1.00 0.00 H new ATOM 0 HG SER A 60 -8.022 11.091 2.311 1.00 0.00 H new ATOM 957 N ALA A 61 -4.962 7.289 1.378 1.00 0.00 N ATOM 958 CA ALA A 61 -3.772 6.734 0.737 1.00 0.00 C ATOM 959 C ALA A 61 -3.860 5.220 0.550 1.00 0.00 C ATOM 960 O ALA A 61 -3.486 4.701 -0.501 1.00 0.00 O ATOM 961 CB ALA A 61 -2.531 7.094 1.535 1.00 0.00 C ATOM 0 H ALA A 61 -4.816 7.606 2.336 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.707 7.176 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.651 6.675 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.435 8.178 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.616 6.687 2.543 1.00 0.00 H new ATOM 967 N VAL A 62 -4.344 4.513 1.567 1.00 0.00 N ATOM 968 CA VAL A 62 -4.460 3.058 1.497 1.00 0.00 C ATOM 969 C VAL A 62 -5.363 2.620 0.343 1.00 0.00 C ATOM 970 O VAL A 62 -5.159 1.557 -0.244 1.00 0.00 O ATOM 971 CB VAL A 62 -4.995 2.473 2.822 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.308 0.990 2.681 1.00 0.00 C ATOM 973 CG2 VAL A 62 -3.992 2.697 3.944 1.00 0.00 C ATOM 0 H VAL A 62 -4.661 4.921 2.446 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.456 2.671 1.320 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.921 2.992 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.683 0.605 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.064 0.850 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.402 0.452 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.384 2.279 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.051 2.207 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.821 3.766 4.072 1.00 0.00 H new ATOM 983 N THR A 63 -6.351 3.447 0.013 1.00 0.00 N ATOM 984 CA THR A 63 -7.281 3.130 -1.067 1.00 0.00 C ATOM 985 C THR A 63 -6.683 3.435 -2.439 1.00 0.00 C ATOM 986 O THR A 63 -6.763 2.615 -3.353 1.00 0.00 O ATOM 987 CB THR A 63 -8.607 3.898 -0.916 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.350 5.294 -0.724 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.414 3.357 0.256 1.00 0.00 C ATOM 0 H THR A 63 -6.528 4.339 0.476 1.00 0.00 H new ATOM 0 HA THR A 63 -7.477 2.060 -0.996 1.00 0.00 H new ATOM 0 HB THR A 63 -9.186 3.761 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.207 5.472 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.347 3.914 0.344 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.636 2.303 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.838 3.466 1.175 1.00 0.00 H new ATOM 997 N LYS A 64 -6.085 4.614 -2.580 1.00 0.00 N ATOM 998 CA LYS A 64 -5.485 5.017 -3.848 1.00 0.00 C ATOM 999 C LYS A 64 -4.273 4.152 -4.185 1.00 0.00 C ATOM 1000 O LYS A 64 -4.006 3.872 -5.353 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.069 6.488 -3.802 1.00 0.00 C ATOM 1002 CG LYS A 64 -3.980 6.781 -2.786 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.234 8.057 -3.130 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.201 8.403 -2.070 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.139 7.364 -1.966 1.00 0.00 N ATOM 0 H LYS A 64 -6.003 5.305 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.236 4.880 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.723 6.790 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.943 7.097 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.421 6.871 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.280 5.946 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.741 7.942 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.943 8.879 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.746 9.364 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.695 8.514 -1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.378 7.707 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.544 6.493 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.753 7.166 -2.911 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.543 3.736 -3.153 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.360 2.904 -3.336 1.00 0.00 C ATOM 1021 C ALA A 65 -2.698 1.664 -4.151 1.00 0.00 C ATOM 1022 O ALA A 65 -1.860 1.136 -4.881 1.00 0.00 O ATOM 1023 CB ALA A 65 -1.773 2.510 -1.989 1.00 0.00 C ATOM 0 H ALA A 65 -3.752 3.963 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.615 3.482 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.891 1.889 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.493 3.408 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.514 1.951 -1.419 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.935 1.208 -4.012 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.406 0.031 -4.728 1.00 0.00 C ATOM 1031 C ILE A 66 -4.439 0.282 -6.235 1.00 0.00 C ATOM 1032 O ILE A 66 -4.080 -0.590 -7.024 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.817 -0.378 -4.253 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.772 -0.872 -2.802 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.406 -1.444 -5.166 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.083 -2.210 -2.629 1.00 0.00 C ATOM 0 H ILE A 66 -4.634 1.638 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.707 -0.778 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.462 0.500 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.259 -0.129 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.791 -0.948 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.400 -1.717 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.476 -1.055 -6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.764 -2.325 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.092 -2.490 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.608 -2.968 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.052 -2.136 -2.976 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.866 1.480 -6.621 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.961 1.845 -8.032 1.00 0.00 C ATOM 1050 C ASN A 67 -3.584 1.939 -8.689 1.00 0.00 C ATOM 1051 O ASN A 67 -3.409 1.537 -9.839 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.699 3.176 -8.181 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.104 3.123 -7.611 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.322 3.428 -6.438 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -8.065 2.731 -8.439 1.00 0.00 N ATOM 0 H ASN A 67 -5.152 2.216 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.519 1.058 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.134 3.960 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.747 3.446 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.029 2.673 -8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.839 2.488 -9.403 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.614 2.475 -7.957 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.260 2.625 -8.481 1.00 0.00 C ATOM 1064 C ILE A 68 -0.520 1.289 -8.509 1.00 0.00 C ATOM 1065 O ILE A 68 0.031 0.895 -9.537 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.442 3.626 -7.639 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.145 4.985 -7.590 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.964 3.774 -8.206 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.606 5.907 -6.517 1.00 0.00 C ATOM 0 H ILE A 68 -2.738 2.812 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.360 3.002 -9.499 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.366 3.240 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.045 5.472 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.210 4.828 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.528 4.484 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.466 2.806 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.906 4.138 -9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.151 6.851 -6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.731 5.440 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.453 6.095 -6.697 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.519 0.600 -7.374 1.00 0.00 N ATOM 1082 CA PHE A 69 0.168 -0.681 -7.245 1.00 0.00 C ATOM 1083 C PHE A 69 -0.352 -1.723 -8.235 1.00 0.00 C ATOM 1084 O PHE A 69 0.419 -2.532 -8.750 1.00 0.00 O ATOM 1085 CB PHE A 69 0.024 -1.212 -5.817 1.00 0.00 C ATOM 1086 CG PHE A 69 0.776 -2.489 -5.570 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.159 -2.484 -5.465 1.00 0.00 C ATOM 1088 CD2 PHE A 69 0.102 -3.693 -5.440 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.854 -3.656 -5.237 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.793 -4.868 -5.213 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.170 -4.850 -5.110 1.00 0.00 C ATOM 0 H PHE A 69 -0.990 0.909 -6.524 1.00 0.00 H new ATOM 0 HA PHE A 69 1.219 -0.506 -7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.376 -0.452 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.032 -1.376 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.699 -1.554 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.975 -3.713 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.931 -3.639 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.256 -5.800 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.711 -5.767 -4.931 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.653 -1.704 -8.501 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.250 -2.675 -9.414 1.00 0.00 C ATOM 1103 C GLN A 70 -1.798 -2.449 -10.859 1.00 0.00 C ATOM 1104 O GLN A 70 -1.231 -3.341 -11.487 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.785 -2.643 -9.314 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.441 -1.384 -9.864 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.956 -1.434 -9.780 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.616 -0.404 -9.640 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.517 -2.635 -9.869 1.00 0.00 N ATOM 0 H GLN A 70 -2.311 -1.034 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.902 -3.663 -9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.186 -3.505 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.068 -2.754 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.078 -0.518 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.142 -1.247 -10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.933 -3.463 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.532 -2.729 -9.822 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.020 -1.248 -11.368 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.666 -0.914 -12.743 1.00 0.00 C ATOM 1120 C LYS A 71 -0.155 -0.926 -12.970 1.00 0.00 C ATOM 1121 O LYS A 71 0.303 -0.822 -14.108 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.240 0.461 -13.105 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.033 0.861 -14.560 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.758 -0.075 -15.517 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.268 0.020 -15.364 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.772 1.396 -15.634 1.00 0.00 N ATOM 0 H LYS A 71 -2.447 -0.482 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.097 -1.679 -13.390 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.308 0.465 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.781 1.214 -12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.389 1.880 -14.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.967 0.859 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.481 0.168 -16.543 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.438 -1.101 -15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.746 -0.682 -16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.549 -0.277 -14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.803 1.368 -15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.546 2.013 -14.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.320 1.769 -16.493 1.00 0.00 H new ATOM 1140 N LEU A 72 0.625 -1.063 -11.901 1.00 0.00 N ATOM 1141 CA LEU A 72 2.078 -1.033 -12.041 1.00 0.00 C ATOM 1142 C LEU A 72 2.748 -2.401 -11.972 1.00 0.00 C ATOM 1143 O LEU A 72 3.672 -2.674 -12.740 1.00 0.00 O ATOM 1144 CB LEU A 72 2.659 -0.185 -10.917 1.00 0.00 C ATOM 1145 CG LEU A 72 3.169 1.197 -11.318 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.289 1.085 -12.342 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.033 2.055 -11.855 1.00 0.00 C ATOM 0 H LEU A 72 0.285 -1.193 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 72 2.275 -0.626 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.895 -0.060 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.481 -0.736 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 72 3.571 1.681 -10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.636 2.082 -12.612 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.116 0.516 -11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.919 0.576 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.418 3.035 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.596 1.574 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.270 2.171 -11.086 1.00 0.00 H new ATOM 1159 N ASN A 73 2.299 -3.264 -11.071 1.00 0.00 N ATOM 1160 CA ASN A 73 2.934 -4.573 -10.931 1.00 0.00 C ATOM 1161 C ASN A 73 1.982 -5.757 -11.074 1.00 0.00 C ATOM 1162 O ASN A 73 2.245 -6.680 -11.845 1.00 0.00 O ATOM 1163 CB ASN A 73 3.644 -4.658 -9.578 1.00 0.00 C ATOM 1164 CG ASN A 73 4.618 -5.819 -9.504 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.460 -6.824 -10.198 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.632 -5.688 -8.657 1.00 0.00 N ATOM 0 H ASN A 73 1.517 -3.091 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 73 3.641 -4.649 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.179 -3.727 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.901 -4.761 -8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.318 -6.437 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.725 -4.838 -8.101 1.00 0.00 H new ATOM 1173 N TYR A 74 0.878 -5.732 -10.335 1.00 0.00 N ATOM 1174 CA TYR A 74 -0.057 -6.862 -10.341 1.00 0.00 C ATOM 1175 C TYR A 74 -1.523 -6.449 -10.394 1.00 0.00 C ATOM 1176 O TYR A 74 -2.277 -6.713 -9.458 1.00 0.00 O ATOM 1177 CB TYR A 74 0.180 -7.748 -9.117 1.00 0.00 C ATOM 1178 CG TYR A 74 1.445 -8.572 -9.194 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.586 -9.577 -10.144 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.497 -8.350 -8.314 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.739 -10.336 -10.215 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.652 -9.104 -8.379 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.769 -10.095 -9.331 1.00 0.00 C ATOM 1184 OH TYR A 74 4.919 -10.847 -9.398 1.00 0.00 O ATOM 0 H TYR A 74 0.607 -4.956 -9.731 1.00 0.00 H new ATOM 0 HA TYR A 74 0.145 -7.413 -11.259 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.221 -7.119 -8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.671 -8.418 -8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.781 -9.768 -10.838 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.410 -7.575 -7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.832 -11.113 -10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.460 -8.918 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 74 5.545 -10.549 -8.706 1.00 0.00 H new ATOM 1194 N MET A 75 -1.929 -5.791 -11.474 1.00 0.00 N ATOM 1195 CA MET A 75 -3.319 -5.368 -11.620 1.00 0.00 C ATOM 1196 C MET A 75 -4.270 -6.543 -11.384 1.00 0.00 C ATOM 1197 O MET A 75 -5.452 -6.349 -11.096 1.00 0.00 O ATOM 1198 CB MET A 75 -3.547 -4.780 -13.016 1.00 0.00 C ATOM 1199 CG MET A 75 -4.956 -4.250 -13.236 1.00 0.00 C ATOM 1200 SD MET A 75 -5.256 -3.766 -14.946 1.00 0.00 S ATOM 1201 CE MET A 75 -5.145 -5.351 -15.772 1.00 0.00 C ATOM 0 H MET A 75 -1.323 -5.540 -12.255 1.00 0.00 H new ATOM 0 HA MET A 75 -3.525 -4.602 -10.873 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.835 -3.971 -13.180 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.337 -5.547 -13.762 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.677 -5.015 -12.947 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.123 -3.392 -12.585 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.688 -5.308 -16.716 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.099 -5.588 -15.966 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.580 -6.123 -15.138 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.743 -7.759 -11.504 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.534 -8.970 -11.296 1.00 0.00 C ATOM 1213 C HIS A 76 -4.672 -9.298 -9.808 1.00 0.00 C ATOM 1214 O HIS A 76 -5.776 -9.535 -9.317 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.892 -10.148 -12.032 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.707 -11.405 -11.990 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -5.669 -11.730 -12.921 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -4.682 -12.435 -11.105 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -6.187 -12.917 -12.580 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.623 -13.388 -11.485 1.00 0.00 N ATOM 0 H HIS A 76 -2.767 -7.933 -11.745 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.532 -8.792 -11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.727 -9.868 -13.072 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.913 -10.346 -11.596 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.035 -12.504 -10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.966 -13.423 -13.131 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.833 -14.268 -11.014 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.545 -9.309 -9.096 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.539 -9.621 -7.666 1.00 0.00 C ATOM 1230 C ILE A 77 -4.249 -8.545 -6.846 1.00 0.00 C ATOM 1231 O ILE A 77 -5.115 -8.852 -6.026 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.098 -9.788 -7.132 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.442 -11.027 -7.751 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.095 -9.881 -5.610 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.022 -11.270 -7.278 1.00 0.00 C ATOM 0 H ILE A 77 -2.625 -9.106 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.078 -10.562 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.519 -8.910 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.048 -11.902 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.440 -10.922 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.071 -9.998 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.523 -8.971 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.688 -10.740 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.374 -12.164 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.599 -10.413 -7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.017 -11.409 -6.197 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.877 -7.288 -7.067 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.472 -6.172 -6.339 1.00 0.00 C ATOM 1249 C ALA A 78 -5.990 -6.149 -6.491 1.00 0.00 C ATOM 1250 O ALA A 78 -6.702 -5.705 -5.590 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.872 -4.857 -6.808 1.00 0.00 C ATOM 0 H ALA A 78 -3.165 -7.016 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.248 -6.307 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.325 -4.033 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.796 -4.864 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.064 -4.729 -7.873 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.479 -6.620 -7.635 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.915 -6.655 -7.899 1.00 0.00 C ATOM 1259 C ASN A 79 -8.657 -7.366 -6.771 1.00 0.00 C ATOM 1260 O ASN A 79 -9.802 -7.039 -6.462 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.196 -7.357 -9.228 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.671 -7.356 -9.583 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.407 -8.277 -9.229 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -10.109 -6.318 -10.286 1.00 0.00 N ATOM 0 H ASN A 79 -5.902 -6.983 -8.394 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.272 -5.627 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.634 -6.865 -10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.839 -8.385 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.092 -6.262 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.463 -5.577 -10.558 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.001 -8.350 -6.169 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.593 -9.104 -5.071 1.00 0.00 C ATOM 1273 C ALA A 80 -8.656 -8.271 -3.792 1.00 0.00 C ATOM 1274 O ALA A 80 -9.588 -8.405 -2.998 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.813 -10.387 -4.831 1.00 0.00 C ATOM 0 H ALA A 80 -7.058 -8.645 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.615 -9.359 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.266 -10.940 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.832 -10.998 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.781 -10.144 -4.579 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.657 -7.413 -3.596 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.590 -6.570 -2.404 1.00 0.00 C ATOM 1283 C LEU A 81 -8.627 -5.449 -2.436 1.00 0.00 C ATOM 1284 O LEU A 81 -9.302 -5.196 -1.438 1.00 0.00 O ATOM 1285 CB LEU A 81 -6.188 -5.970 -2.243 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.091 -6.962 -1.847 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.708 -7.844 -3.025 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -3.874 -6.219 -1.317 1.00 0.00 C ATOM 0 H LEU A 81 -6.883 -7.283 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.811 -7.210 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.904 -5.496 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.232 -5.183 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.478 -7.604 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.927 -8.540 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.582 -8.403 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.340 -7.222 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.102 -6.937 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.489 -5.553 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.157 -5.634 -0.442 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.750 -4.777 -3.580 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.700 -3.676 -3.719 1.00 0.00 C ATOM 1302 C GLU A 82 -11.115 -4.111 -3.344 1.00 0.00 C ATOM 1303 O GLU A 82 -11.933 -3.293 -2.921 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.685 -3.121 -5.146 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.128 -4.120 -6.200 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.166 -3.518 -7.591 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.101 -3.459 -8.241 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.259 -3.102 -8.028 1.00 0.00 O ATOM 0 H GLU A 82 -8.206 -4.975 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.390 -2.889 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.335 -2.247 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.677 -2.781 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.450 -4.973 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.118 -4.498 -5.944 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.400 -5.400 -3.502 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.717 -5.935 -3.174 1.00 0.00 C ATOM 1317 C GLU A 83 -12.957 -5.893 -1.668 1.00 0.00 C ATOM 1318 O GLU A 83 -14.071 -5.632 -1.215 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.854 -7.371 -3.686 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.773 -7.488 -5.198 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.856 -6.693 -5.902 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.994 -7.199 -6.004 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.566 -5.563 -6.352 1.00 0.00 O ATOM 0 H GLU A 83 -10.738 -6.092 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.467 -5.313 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.070 -7.983 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.807 -7.779 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.796 -7.141 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.854 -8.537 -5.483 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.903 -6.152 -0.899 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.987 -6.142 0.559 1.00 0.00 C ATOM 1332 C LYS A 84 -12.493 -4.797 1.071 1.00 0.00 C ATOM 1333 O LYS A 84 -13.115 -4.719 2.131 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.618 -6.446 1.171 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.640 -6.551 2.688 1.00 0.00 C ATOM 1336 CD LYS A 84 -9.238 -6.693 3.266 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.670 -8.087 3.044 1.00 0.00 C ATOM 1338 NZ LYS A 84 -8.267 -8.311 1.628 1.00 0.00 N ATOM 0 H LYS A 84 -10.976 -6.372 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.696 -6.914 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.243 -7.381 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.917 -5.664 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.118 -5.665 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.244 -7.409 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.580 -5.956 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.262 -6.477 4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.807 -8.233 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.414 -8.830 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.358 -8.816 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.993 -8.879 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.168 -7.395 1.146 1.00 0.00 H new ATOM 1352 N LYS A 85 -12.213 -3.743 0.311 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.622 -2.392 0.680 1.00 0.00 C ATOM 1354 C LYS A 85 -14.113 -2.320 1.009 1.00 0.00 C ATOM 1355 O LYS A 85 -14.522 -1.553 1.880 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.289 -1.413 -0.448 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.629 0.032 -0.121 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.264 0.965 -1.263 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.629 2.405 -0.941 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.260 3.333 -2.045 1.00 0.00 N ATOM 0 H LYS A 85 -11.701 -3.799 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.069 -2.115 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.226 -1.484 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.829 -1.710 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.695 0.116 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.099 0.336 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.195 0.895 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.780 0.651 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.700 2.474 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.123 2.711 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.463 4.312 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.246 3.237 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.813 3.099 -2.894 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.923 -3.114 0.310 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.365 -3.119 0.542 1.00 0.00 C ATOM 1376 C LYS A 86 -16.679 -3.370 2.016 1.00 0.00 C ATOM 1377 O LYS A 86 -17.589 -2.763 2.579 1.00 0.00 O ATOM 1378 CB LYS A 86 -17.052 -4.176 -0.333 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.824 -5.608 0.126 1.00 0.00 C ATOM 1380 CD LYS A 86 -17.513 -6.604 -0.794 1.00 0.00 C ATOM 1381 CE LYS A 86 -17.389 -8.025 -0.270 1.00 0.00 C ATOM 1382 NZ LYS A 86 -18.034 -8.182 1.064 1.00 0.00 N ATOM 0 H LYS A 86 -14.608 -3.757 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.751 -2.137 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.124 -3.978 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.693 -4.073 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.754 -5.816 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.199 -5.730 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.566 -6.342 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.076 -6.543 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.847 -8.715 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.335 -8.295 -0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.187 -9.192 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.418 -7.777 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.948 -7.687 1.068 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.917 -4.268 2.632 1.00 0.00 N ATOM 1397 CA GLU A 87 -16.106 -4.598 4.040 1.00 0.00 C ATOM 1398 C GLU A 87 -15.510 -3.512 4.931 1.00 0.00 C ATOM 1399 O GLU A 87 -15.976 -3.283 6.047 1.00 0.00 O ATOM 1400 CB GLU A 87 -15.457 -5.948 4.358 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.804 -6.482 5.737 1.00 0.00 C ATOM 1402 CD GLU A 87 -17.264 -6.871 5.861 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -18.116 -5.962 5.968 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -17.558 -8.085 5.851 1.00 0.00 O ATOM 0 H GLU A 87 -15.162 -4.781 2.177 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.176 -4.662 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.766 -6.676 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.374 -5.849 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.181 -7.350 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.569 -5.725 6.485 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.476 -2.850 4.427 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.802 -1.786 5.165 1.00 0.00 C ATOM 1413 C ALA A 88 -14.768 -0.666 5.541 1.00 0.00 C ATOM 1414 O ALA A 88 -14.563 0.031 6.536 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.648 -1.231 4.347 1.00 0.00 C ATOM 0 H ALA A 88 -14.083 -3.032 3.504 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.414 -2.215 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.153 -0.438 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.934 -2.028 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -13.028 -0.829 3.408 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.815 -0.496 4.741 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.804 0.549 4.980 1.00 0.00 C ATOM 1423 C GLU A 89 -17.317 0.523 6.419 1.00 0.00 C ATOM 1424 O GLU A 89 -17.335 1.551 7.093 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.977 0.402 4.008 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.582 0.534 2.544 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.764 0.397 1.605 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -19.092 -0.746 1.225 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -19.365 1.434 1.251 1.00 0.00 O ATOM 0 H GLU A 89 -16.001 -1.070 3.919 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.314 1.508 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.445 -0.570 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.727 1.157 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.108 1.503 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.841 -0.227 2.302 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.728 -0.654 6.889 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.248 -0.791 8.249 1.00 0.00 C ATOM 1438 C ARG A 90 -17.132 -0.685 9.287 1.00 0.00 C ATOM 1439 O ARG A 90 -17.393 -0.446 10.466 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.983 -2.124 8.411 1.00 0.00 C ATOM 1441 CG ARG A 90 -18.088 -3.342 8.240 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.795 -4.621 8.662 1.00 0.00 C ATOM 1443 NE ARG A 90 -19.178 -4.597 10.071 1.00 0.00 N ATOM 1444 CZ ARG A 90 -19.679 -5.647 10.714 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.844 -6.801 10.081 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -20.015 -5.544 11.993 1.00 0.00 N ATOM 0 H ARG A 90 -17.711 -1.521 6.352 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.948 0.027 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.442 -2.158 9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.792 -2.173 7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.779 -3.423 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.182 -3.214 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.684 -4.763 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.141 -5.474 8.479 1.00 0.00 H new ATOM 0 HE ARG A 90 -19.054 -3.728 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.586 -6.885 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.229 -7.605 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.889 -4.659 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.399 -6.350 12.486 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.890 -0.865 8.844 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.740 -0.791 9.744 1.00 0.00 C ATOM 1462 C LYS A 91 -14.394 0.657 10.083 1.00 0.00 C ATOM 1463 O LYS A 91 -13.677 0.922 11.048 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.527 -1.483 9.119 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.676 -2.993 9.006 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.444 -3.635 8.384 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.216 -3.475 9.271 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.421 -4.077 10.619 1.00 0.00 N ATOM 0 H LYS A 91 -15.654 -1.062 7.872 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.008 -1.304 10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.355 -1.068 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.643 -1.258 9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.847 -3.417 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.553 -3.228 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.633 -4.695 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.251 -3.184 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.358 -3.945 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.981 -2.416 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.581 -4.631 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.571 -3.321 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.254 -4.700 10.598 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.905 1.589 9.284 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.645 3.010 9.502 1.00 0.00 C ATOM 1484 C LEU A 92 -15.874 3.713 10.071 1.00 0.00 C ATOM 1485 O LEU A 92 -15.911 4.940 10.164 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.216 3.684 8.195 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.733 3.540 7.836 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -11.858 4.200 8.892 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.358 2.074 7.672 1.00 0.00 C ATOM 0 H LEU A 92 -15.501 1.387 8.481 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.835 3.093 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.811 3.271 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.456 4.745 8.258 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.563 4.045 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.809 4.086 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.103 5.260 8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.034 3.727 9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.301 1.995 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.547 1.543 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.957 1.632 6.876 1.00 0.00 H new ATOM 1501 N MET A 93 -16.876 2.927 10.452 1.00 0.00 N ATOM 1502 CA MET A 93 -18.105 3.474 11.018 1.00 0.00 C ATOM 1503 C MET A 93 -18.059 3.452 12.542 1.00 0.00 C ATOM 1504 O MET A 93 -18.893 4.067 13.207 1.00 0.00 O ATOM 1505 CB MET A 93 -19.315 2.682 10.521 1.00 0.00 C ATOM 1506 CG MET A 93 -19.529 2.779 9.019 1.00 0.00 C ATOM 1507 SD MET A 93 -19.932 4.452 8.479 1.00 0.00 S ATOM 1508 CE MET A 93 -21.532 4.681 9.248 1.00 0.00 C ATOM 0 H MET A 93 -16.861 1.910 10.379 1.00 0.00 H new ATOM 0 HA MET A 93 -18.197 4.510 10.691 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.191 1.634 10.795 1.00 0.00 H new ATOM 0 HB3 MET A 93 -20.209 3.041 11.031 1.00 0.00 H new ATOM 0 HG2 MET A 93 -18.628 2.443 8.506 1.00 0.00 H new ATOM 0 HG3 MET A 93 -20.333 2.104 8.726 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.059 5.497 8.755 1.00 0.00 H new ATOM 0 HE2 MET A 93 -22.115 3.764 9.156 1.00 0.00 H new ATOM 0 HE3 MET A 93 -21.398 4.921 10.303 1.00 0.00 H new ATOM 1518 N THR A 94 -17.078 2.740 13.088 1.00 0.00 N ATOM 1519 CA THR A 94 -16.921 2.636 14.533 1.00 0.00 C ATOM 1520 C THR A 94 -15.456 2.459 14.915 1.00 0.00 C ATOM 1521 O THR A 94 -14.666 1.907 14.148 1.00 0.00 O ATOM 1522 CB THR A 94 -17.733 1.457 15.100 1.00 0.00 C ATOM 1523 OG1 THR A 94 -17.505 1.336 16.509 1.00 0.00 O ATOM 1524 CG2 THR A 94 -17.355 0.156 14.406 1.00 0.00 C ATOM 0 H THR A 94 -16.380 2.226 12.550 1.00 0.00 H new ATOM 0 HA THR A 94 -17.295 3.566 14.961 1.00 0.00 H new ATOM 0 HB THR A 94 -18.790 1.653 14.920 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.027 0.585 16.861 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.941 -0.663 14.823 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.558 0.241 13.338 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.294 -0.043 14.559 1.00 0.00 H new ATOM 1532 N ASN A 95 -15.098 2.929 16.106 1.00 0.00 N ATOM 1533 CA ASN A 95 -13.727 2.818 16.591 1.00 0.00 C ATOM 1534 C ASN A 95 -13.458 1.422 17.145 1.00 0.00 C ATOM 1535 O ASN A 95 -13.725 1.201 18.345 1.00 0.00 O ATOM 1536 CB ASN A 95 -13.457 3.871 17.669 1.00 0.00 C ATOM 1537 CG ASN A 95 -13.652 5.286 17.160 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -14.748 5.842 17.241 1.00 0.00 O ATOM 1539 ND2 ASN A 95 -12.587 5.876 16.630 1.00 0.00 N ATOM 1540 OXT ASN A 95 -12.985 0.562 16.373 1.00 0.00 O ATOM 0 H ASN A 95 -15.738 3.390 16.753 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.055 2.991 15.750 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.121 3.698 18.516 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.437 3.758 18.036 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.658 6.828 16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.698 5.378 16.583 1.00 0.00 H new TER 1547 ASN A 95