USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN :FLIP amide:sc= -0.113 F(o=-4.1,f=-1.6) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.62 K(o=-1.6,f=-2.7) USER MOD Set 1.3: A 77 ASN : amide:sc= -2.11 K(o=-1.6,f=-8.7!) USER MOD Set 2.1: A 52 THR OG1 : rot 14:sc= 0.0167 USER MOD Set 2.2: A 54 MET CE :methyl -165:sc= 0 (180deg=-0.207) USER MOD Set 2.3: A 55 CYS SG : rot 82:sc= 0.958 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 0.981 (180deg=0.698) USER MOD Single : A 17 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : A 29 SER OG : rot 107:sc= 1.29 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.285 F(o=-1.5!,f=-0.29) USER MOD Single : A 42 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -138:sc= 0 (180deg=-0.0652) USER MOD Single : A 49 THR OG1 : rot 105:sc= 1.27 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.999) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 89 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 93 MET CE :methyl -177:sc= 0 (180deg=-0.0255) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 100 LYS NZ :NH3+ -127:sc=-0.00668 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 14.150 -4.220 -17.979 1.00 0.00 N ATOM 2 CA MET A 2 15.313 -3.462 -17.487 1.00 0.00 C ATOM 3 C MET A 2 14.871 -2.232 -16.702 1.00 0.00 C ATOM 4 O MET A 2 14.316 -1.286 -17.274 1.00 0.00 O ATOM 5 CB MET A 2 16.244 -3.043 -18.631 1.00 0.00 C ATOM 6 CG MET A 2 17.708 -2.949 -18.187 1.00 0.00 C ATOM 7 SD MET A 2 18.703 -1.865 -19.246 1.00 0.00 S ATOM 8 CE MET A 2 20.380 -2.462 -18.927 1.00 0.00 C ATOM 0 HA MET A 2 15.867 -4.126 -16.823 1.00 0.00 H new ATOM 0 HB2 MET A 2 16.160 -3.761 -19.446 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.923 -2.078 -19.022 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.748 -2.582 -17.162 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.146 -3.947 -18.185 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.091 -1.882 -19.515 1.00 0.00 H new ATOM 0 HE2 MET A 2 20.610 -2.352 -17.867 1.00 0.00 H new ATOM 0 HE3 MET A 2 20.451 -3.513 -19.206 1.00 0.00 H new ATOM 18 N SER A 3 15.186 -2.205 -15.407 1.00 0.00 N ATOM 19 CA SER A 3 15.344 -0.966 -14.663 1.00 0.00 C ATOM 20 C SER A 3 16.232 -1.214 -13.447 1.00 0.00 C ATOM 21 O SER A 3 16.376 -2.357 -12.996 1.00 0.00 O ATOM 22 CB SER A 3 13.981 -0.376 -14.293 1.00 0.00 C ATOM 23 OG SER A 3 13.091 -1.326 -13.734 1.00 0.00 O ATOM 0 H SER A 3 15.338 -3.045 -14.848 1.00 0.00 H new ATOM 0 HA SER A 3 15.838 -0.221 -15.287 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.126 0.437 -13.582 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.526 0.057 -15.184 1.00 0.00 H new ATOM 0 HG SER A 3 12.241 -0.890 -13.517 1.00 0.00 H new ATOM 29 N LYS A 4 16.828 -0.152 -12.911 1.00 0.00 N ATOM 30 CA LYS A 4 17.523 -0.152 -11.632 1.00 0.00 C ATOM 31 C LYS A 4 17.233 1.159 -10.934 1.00 0.00 C ATOM 32 O LYS A 4 16.784 2.109 -11.579 1.00 0.00 O ATOM 33 CB LYS A 4 19.034 -0.376 -11.808 1.00 0.00 C ATOM 34 CG LYS A 4 19.318 -1.876 -11.901 1.00 0.00 C ATOM 35 CD LYS A 4 20.771 -2.228 -11.591 1.00 0.00 C ATOM 36 CE LYS A 4 20.862 -3.741 -11.370 1.00 0.00 C ATOM 37 NZ LYS A 4 20.783 -4.483 -12.640 1.00 0.00 N ATOM 0 H LYS A 4 16.839 0.758 -13.371 1.00 0.00 H new ATOM 0 HA LYS A 4 17.163 -0.980 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.385 0.128 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.577 0.057 -10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.665 -2.407 -11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.071 -2.226 -12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.419 -1.925 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.110 -1.693 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.799 -3.980 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.056 -4.062 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.848 -5.504 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.878 -4.275 -13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.567 -4.195 -13.259 1.00 0.00 H new ATOM 51 N LYS A 5 17.555 1.195 -9.638 1.00 0.00 N ATOM 52 CA LYS A 5 16.941 2.020 -8.615 1.00 0.00 C ATOM 53 C LYS A 5 15.414 1.895 -8.675 1.00 0.00 C ATOM 54 O LYS A 5 14.757 2.242 -9.653 1.00 0.00 O ATOM 55 CB LYS A 5 17.520 3.439 -8.659 1.00 0.00 C ATOM 56 CG LYS A 5 16.467 4.531 -8.427 1.00 0.00 C ATOM 57 CD LYS A 5 17.088 5.879 -8.069 1.00 0.00 C ATOM 58 CE LYS A 5 17.394 5.866 -6.570 1.00 0.00 C ATOM 59 NZ LYS A 5 17.907 7.161 -6.106 1.00 0.00 N ATOM 0 H LYS A 5 18.299 0.609 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 5 17.193 1.664 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.300 3.529 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.994 3.601 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.860 4.642 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.797 4.220 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.999 6.045 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.404 6.692 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.489 5.614 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.126 5.087 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.102 7.112 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.784 7.390 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.198 7.900 -6.287 1.00 0.00 H new ATOM 73 N VAL A 6 14.837 1.392 -7.594 1.00 0.00 N ATOM 74 CA VAL A 6 13.410 1.515 -7.358 1.00 0.00 C ATOM 75 C VAL A 6 13.186 2.891 -6.721 1.00 0.00 C ATOM 76 O VAL A 6 13.994 3.348 -5.908 1.00 0.00 O ATOM 77 CB VAL A 6 12.945 0.317 -6.510 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.490 0.457 -6.043 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.080 -0.959 -7.340 1.00 0.00 C ATOM 0 H VAL A 6 15.341 0.891 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 6 12.807 1.476 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 6 13.574 0.278 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.213 -0.414 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.388 1.357 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.834 0.528 -6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.753 -1.814 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.462 -0.879 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.122 -1.096 -7.630 1.00 0.00 H new ATOM 89 N THR A 7 12.096 3.556 -7.086 1.00 0.00 N ATOM 90 CA THR A 7 11.748 4.888 -6.614 1.00 0.00 C ATOM 91 C THR A 7 10.365 4.833 -5.990 1.00 0.00 C ATOM 92 O THR A 7 9.630 3.846 -6.123 1.00 0.00 O ATOM 93 CB THR A 7 11.757 5.864 -7.802 1.00 0.00 C ATOM 94 OG1 THR A 7 10.712 5.498 -8.679 1.00 0.00 O ATOM 95 CG2 THR A 7 13.095 5.848 -8.536 1.00 0.00 C ATOM 0 H THR A 7 11.412 3.171 -7.737 1.00 0.00 H new ATOM 0 HA THR A 7 12.469 5.231 -5.872 1.00 0.00 H new ATOM 0 HB THR A 7 11.610 6.879 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.698 6.110 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.062 6.551 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.890 6.137 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.290 4.845 -8.915 1.00 0.00 H new ATOM 103 N LYS A 8 9.984 5.899 -5.291 1.00 0.00 N ATOM 104 CA LYS A 8 8.682 5.959 -4.668 1.00 0.00 C ATOM 105 C LYS A 8 7.591 5.959 -5.727 1.00 0.00 C ATOM 106 O LYS A 8 6.546 5.359 -5.517 1.00 0.00 O ATOM 107 CB LYS A 8 8.625 7.118 -3.668 1.00 0.00 C ATOM 108 CG LYS A 8 9.284 8.449 -4.065 1.00 0.00 C ATOM 109 CD LYS A 8 9.411 9.447 -2.905 1.00 0.00 C ATOM 110 CE LYS A 8 8.148 9.626 -2.053 1.00 0.00 C ATOM 111 NZ LYS A 8 7.059 10.307 -2.782 1.00 0.00 N ATOM 0 H LYS A 8 10.563 6.727 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 8 8.499 5.064 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.576 7.318 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.087 6.781 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.276 8.247 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.702 8.908 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.224 9.123 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.695 10.417 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.800 8.649 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.396 10.200 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.231 10.402 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.378 11.251 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.800 9.749 -3.620 1.00 0.00 H new ATOM 125 N GLU A 9 7.883 6.523 -6.895 1.00 0.00 N ATOM 126 CA GLU A 9 7.060 6.425 -8.083 1.00 0.00 C ATOM 127 C GLU A 9 6.751 4.977 -8.446 1.00 0.00 C ATOM 128 O GLU A 9 5.602 4.644 -8.739 1.00 0.00 O ATOM 129 CB GLU A 9 7.803 7.080 -9.256 1.00 0.00 C ATOM 130 CG GLU A 9 7.031 8.269 -9.810 1.00 0.00 C ATOM 131 CD GLU A 9 7.554 9.574 -9.220 1.00 0.00 C ATOM 132 OE1 GLU A 9 7.497 9.730 -7.962 1.00 0.00 O ATOM 133 OE2 GLU A 9 8.004 10.461 -9.960 1.00 0.00 O ATOM 0 H GLU A 9 8.727 7.077 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 9 6.116 6.931 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.789 7.407 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.958 6.345 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.121 8.293 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.971 8.159 -9.581 1.00 0.00 H new ATOM 141 N ASP A 10 7.774 4.123 -8.445 1.00 0.00 N ATOM 142 CA ASP A 10 7.657 2.754 -8.918 1.00 0.00 C ATOM 143 C ASP A 10 6.813 1.999 -7.911 1.00 0.00 C ATOM 144 O ASP A 10 5.891 1.283 -8.272 1.00 0.00 O ATOM 145 CB ASP A 10 9.040 2.080 -9.040 1.00 0.00 C ATOM 146 CG ASP A 10 9.539 1.908 -10.472 1.00 0.00 C ATOM 147 OD1 ASP A 10 10.770 2.021 -10.690 1.00 0.00 O ATOM 148 OD2 ASP A 10 8.726 1.599 -11.366 1.00 0.00 O ATOM 0 H ASP A 10 8.708 4.367 -8.114 1.00 0.00 H new ATOM 0 HA ASP A 10 7.201 2.746 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.768 2.671 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.995 1.100 -8.565 1.00 0.00 H new ATOM 154 N VAL A 11 7.079 2.202 -6.623 1.00 0.00 N ATOM 155 CA VAL A 11 6.301 1.579 -5.556 1.00 0.00 C ATOM 156 C VAL A 11 4.826 2.011 -5.619 1.00 0.00 C ATOM 157 O VAL A 11 3.939 1.195 -5.368 1.00 0.00 O ATOM 158 CB VAL A 11 6.978 1.891 -4.208 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.183 1.361 -3.003 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.383 1.264 -4.162 1.00 0.00 C ATOM 0 H VAL A 11 7.836 2.800 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 11 6.285 0.496 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 11 7.028 2.978 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.709 1.611 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.193 1.817 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.082 0.278 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.852 1.491 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.303 0.183 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.990 1.673 -4.969 1.00 0.00 H new ATOM 170 N LEU A 12 4.539 3.265 -5.981 1.00 0.00 N ATOM 171 CA LEU A 12 3.185 3.799 -6.042 1.00 0.00 C ATOM 172 C LEU A 12 2.447 3.200 -7.216 1.00 0.00 C ATOM 173 O LEU A 12 1.227 3.080 -7.186 1.00 0.00 O ATOM 174 CB LEU A 12 3.242 5.318 -6.233 1.00 0.00 C ATOM 175 CG LEU A 12 3.557 6.055 -4.927 1.00 0.00 C ATOM 176 CD1 LEU A 12 4.133 7.443 -5.240 1.00 0.00 C ATOM 177 CD2 LEU A 12 2.303 6.153 -4.051 1.00 0.00 C ATOM 0 H LEU A 12 5.254 3.943 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 12 2.669 3.553 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.001 5.561 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.287 5.669 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 12 4.305 5.493 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.355 7.963 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.048 7.334 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.405 8.018 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.545 6.679 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.526 6.699 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.945 5.151 -3.815 1.00 0.00 H new ATOM 189 N ASN A 13 3.164 2.898 -8.289 1.00 0.00 N ATOM 190 CA ASN A 13 2.652 2.205 -9.446 1.00 0.00 C ATOM 191 C ASN A 13 2.471 0.717 -9.162 1.00 0.00 C ATOM 192 O ASN A 13 1.473 0.125 -9.567 1.00 0.00 O ATOM 193 CB ASN A 13 3.684 2.429 -10.562 1.00 0.00 C ATOM 194 CG ASN A 13 3.319 3.625 -11.417 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.173 3.784 -11.821 1.00 0.00 O ATOM 196 ND2 ASN A 13 4.241 4.542 -11.635 1.00 0.00 N ATOM 0 H ASN A 13 4.151 3.140 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 13 1.670 2.583 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.670 2.580 -10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.746 1.538 -11.187 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.003 5.393 -12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.192 4.400 -11.295 1.00 0.00 H new ATOM 203 N ALA A 14 3.386 0.110 -8.413 1.00 0.00 N ATOM 204 CA ALA A 14 3.389 -1.305 -8.125 1.00 0.00 C ATOM 205 C ALA A 14 2.156 -1.634 -7.308 1.00 0.00 C ATOM 206 O ALA A 14 1.486 -2.640 -7.555 1.00 0.00 O ATOM 207 CB ALA A 14 4.660 -1.665 -7.356 1.00 0.00 C ATOM 0 H ALA A 14 4.164 0.610 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 14 3.372 -1.883 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.663 -2.733 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.533 -1.415 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.691 -1.104 -6.422 1.00 0.00 H new ATOM 213 N LEU A 15 1.856 -0.774 -6.334 1.00 0.00 N ATOM 214 CA LEU A 15 0.777 -1.017 -5.405 1.00 0.00 C ATOM 215 C LEU A 15 -0.608 -0.873 -6.047 1.00 0.00 C ATOM 216 O LEU A 15 -1.541 -1.512 -5.568 1.00 0.00 O ATOM 217 CB LEU A 15 0.945 -0.144 -4.153 1.00 0.00 C ATOM 218 CG LEU A 15 2.015 -0.672 -3.175 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.220 0.354 -2.059 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.639 -2.024 -2.549 1.00 0.00 C ATOM 0 H LEU A 15 2.356 0.101 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 15 0.836 -2.060 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.211 0.868 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.011 -0.080 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 15 2.930 -0.823 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.975 -0.011 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.551 1.299 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.280 0.506 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.430 -2.343 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.706 -1.922 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.514 -2.767 -3.336 1.00 0.00 H new ATOM 232 N LYS A 16 -0.748 -0.177 -7.187 1.00 0.00 N ATOM 233 CA LYS A 16 -1.996 -0.072 -7.976 1.00 0.00 C ATOM 234 C LYS A 16 -2.464 -1.408 -8.583 1.00 0.00 C ATOM 235 O LYS A 16 -3.318 -1.414 -9.468 1.00 0.00 O ATOM 236 CB LYS A 16 -1.812 0.948 -9.115 1.00 0.00 C ATOM 237 CG LYS A 16 -1.720 2.389 -8.624 1.00 0.00 C ATOM 238 CD LYS A 16 -1.429 3.321 -9.806 1.00 0.00 C ATOM 239 CE LYS A 16 -1.370 4.769 -9.328 1.00 0.00 C ATOM 240 NZ LYS A 16 -0.050 5.118 -8.772 1.00 0.00 N ATOM 0 H LYS A 16 0.024 0.345 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.765 0.250 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.907 0.702 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.647 0.861 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.653 2.679 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.933 2.479 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.484 3.045 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.203 3.211 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.599 5.434 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.136 4.931 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.143 5.949 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.318 4.316 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.607 5.336 -9.548 1.00 0.00 H new ATOM 254 N ASN A 17 -1.869 -2.530 -8.182 1.00 0.00 N ATOM 255 CA ASN A 17 -2.193 -3.868 -8.654 1.00 0.00 C ATOM 256 C ASN A 17 -2.851 -4.679 -7.551 1.00 0.00 C ATOM 257 O ASN A 17 -3.654 -5.556 -7.862 1.00 0.00 O ATOM 258 CB ASN A 17 -0.927 -4.610 -9.101 1.00 0.00 C ATOM 259 CG ASN A 17 -0.357 -4.036 -10.382 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.653 -4.526 -11.468 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.459 -3.002 -10.291 1.00 0.00 N ATOM 0 H ASN A 17 -1.118 -2.528 -7.492 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.876 -3.759 -9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.176 -4.554 -8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.157 -5.665 -9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.859 -2.592 -11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.689 -2.613 -9.377 1.00 0.00 H new ATOM 268 N VAL A 18 -2.483 -4.416 -6.293 1.00 0.00 N ATOM 269 CA VAL A 18 -2.934 -5.152 -5.130 1.00 0.00 C ATOM 270 C VAL A 18 -4.334 -4.663 -4.835 1.00 0.00 C ATOM 271 O VAL A 18 -4.515 -3.570 -4.294 1.00 0.00 O ATOM 272 CB VAL A 18 -1.924 -4.963 -3.984 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.456 -5.278 -2.582 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.772 -5.921 -4.282 1.00 0.00 C ATOM 0 H VAL A 18 -1.842 -3.658 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.981 -6.230 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.649 -3.909 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.667 -5.113 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.301 -4.627 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.779 -6.318 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.016 -5.835 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.148 -6.944 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.329 -5.668 -5.245 1.00 0.00 H new ATOM 284 N ILE A 19 -5.309 -5.467 -5.246 1.00 0.00 N ATOM 285 CA ILE A 19 -6.702 -5.258 -4.925 1.00 0.00 C ATOM 286 C ILE A 19 -7.045 -6.190 -3.783 1.00 0.00 C ATOM 287 O ILE A 19 -6.671 -7.365 -3.757 1.00 0.00 O ATOM 288 CB ILE A 19 -7.581 -5.406 -6.182 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.292 -4.168 -7.075 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.064 -5.602 -5.827 1.00 0.00 C ATOM 291 CD1 ILE A 19 -8.410 -3.672 -7.994 1.00 0.00 C ATOM 0 H ILE A 19 -5.143 -6.293 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.901 -4.240 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.335 -6.310 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.006 -3.344 -6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.426 -4.398 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.647 -5.702 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.178 -6.503 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.420 -4.740 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.062 -2.804 -8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.688 -4.464 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.277 -3.394 -7.395 1.00 0.00 H new ATOM 303 N ASP A 20 -7.723 -5.599 -2.814 1.00 0.00 N ATOM 304 CA ASP A 20 -8.344 -6.251 -1.676 1.00 0.00 C ATOM 305 C ASP A 20 -9.471 -7.119 -2.219 1.00 0.00 C ATOM 306 O ASP A 20 -10.359 -6.601 -2.900 1.00 0.00 O ATOM 307 CB ASP A 20 -8.864 -5.150 -0.750 1.00 0.00 C ATOM 308 CG ASP A 20 -9.603 -5.685 0.472 1.00 0.00 C ATOM 309 OD1 ASP A 20 -9.349 -5.106 1.564 1.00 0.00 O ATOM 310 OD2 ASP A 20 -10.444 -6.590 0.378 1.00 0.00 O ATOM 0 H ASP A 20 -7.862 -4.589 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.657 -6.882 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.025 -4.538 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.532 -4.498 -1.313 1.00 0.00 H new ATOM 316 N PHE A 21 -9.409 -8.431 -1.980 1.00 0.00 N ATOM 317 CA PHE A 21 -10.330 -9.384 -2.594 1.00 0.00 C ATOM 318 C PHE A 21 -11.792 -9.151 -2.202 1.00 0.00 C ATOM 319 O PHE A 21 -12.691 -9.595 -2.920 1.00 0.00 O ATOM 320 CB PHE A 21 -9.917 -10.821 -2.235 1.00 0.00 C ATOM 321 CG PHE A 21 -9.932 -11.752 -3.428 1.00 0.00 C ATOM 322 CD1 PHE A 21 -8.807 -11.827 -4.272 1.00 0.00 C ATOM 323 CD2 PHE A 21 -11.080 -12.513 -3.723 1.00 0.00 C ATOM 324 CE1 PHE A 21 -8.827 -12.663 -5.401 1.00 0.00 C ATOM 325 CE2 PHE A 21 -11.113 -13.315 -4.877 1.00 0.00 C ATOM 326 CZ PHE A 21 -9.986 -13.387 -5.719 1.00 0.00 C ATOM 0 H PHE A 21 -8.722 -8.859 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.264 -9.230 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.917 -10.809 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.591 -11.207 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.927 -11.241 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.934 -12.480 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.949 -12.748 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.003 -13.877 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.014 -13.999 -6.608 1.00 0.00 H new ATOM 336 N GLU A 22 -12.048 -8.520 -1.055 1.00 0.00 N ATOM 337 CA GLU A 22 -13.362 -8.141 -0.597 1.00 0.00 C ATOM 338 C GLU A 22 -13.720 -6.792 -1.221 1.00 0.00 C ATOM 339 O GLU A 22 -14.728 -6.676 -1.923 1.00 0.00 O ATOM 340 CB GLU A 22 -13.334 -8.101 0.943 1.00 0.00 C ATOM 341 CG GLU A 22 -14.716 -8.369 1.534 1.00 0.00 C ATOM 342 CD GLU A 22 -15.778 -7.379 1.042 1.00 0.00 C ATOM 343 OE1 GLU A 22 -16.699 -7.817 0.316 1.00 0.00 O ATOM 344 OE2 GLU A 22 -15.665 -6.167 1.333 1.00 0.00 O ATOM 0 H GLU A 22 -11.310 -8.254 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.129 -8.854 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.628 -8.843 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.977 -7.127 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.025 -9.382 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.656 -8.319 2.621 1.00 0.00 H new ATOM 352 N LEU A 23 -12.902 -5.767 -0.960 1.00 0.00 N ATOM 353 CA LEU A 23 -13.259 -4.392 -1.284 1.00 0.00 C ATOM 354 C LEU A 23 -13.368 -4.215 -2.795 1.00 0.00 C ATOM 355 O LEU A 23 -14.288 -3.549 -3.270 1.00 0.00 O ATOM 356 CB LEU A 23 -12.262 -3.400 -0.665 1.00 0.00 C ATOM 357 CG LEU A 23 -12.947 -2.077 -0.261 1.00 0.00 C ATOM 358 CD1 LEU A 23 -12.490 -1.639 1.132 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.680 -0.967 -1.276 1.00 0.00 C ATOM 0 H LEU A 23 -11.986 -5.870 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.235 -4.176 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.797 -3.851 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.464 -3.193 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.021 -2.260 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.983 -0.705 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.751 -2.408 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.410 -1.492 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.179 -0.053 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.607 -0.789 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.063 -1.266 -2.252 1.00 0.00 H new ATOM 371 N GLY A 24 -12.486 -4.855 -3.559 1.00 0.00 N ATOM 372 CA GLY A 24 -12.500 -4.839 -5.011 1.00 0.00 C ATOM 373 C GLY A 24 -11.859 -3.564 -5.545 1.00 0.00 C ATOM 374 O GLY A 24 -12.120 -3.196 -6.687 1.00 0.00 O ATOM 0 H GLY A 24 -11.724 -5.412 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.965 -5.708 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.527 -4.913 -5.370 1.00 0.00 H new ATOM 378 N LEU A 25 -11.052 -2.885 -4.725 1.00 0.00 N ATOM 379 CA LEU A 25 -10.283 -1.704 -5.073 1.00 0.00 C ATOM 380 C LEU A 25 -8.870 -1.862 -4.521 1.00 0.00 C ATOM 381 O LEU A 25 -8.618 -2.750 -3.701 1.00 0.00 O ATOM 382 CB LEU A 25 -10.961 -0.449 -4.497 1.00 0.00 C ATOM 383 CG LEU A 25 -11.384 0.601 -5.537 1.00 0.00 C ATOM 384 CD1 LEU A 25 -10.273 0.996 -6.518 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.620 0.109 -6.296 1.00 0.00 C ATOM 0 H LEU A 25 -10.916 -3.164 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.234 -1.592 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.843 -0.757 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.279 0.020 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.618 1.508 -4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.653 1.740 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.431 1.414 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.944 0.115 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.916 0.856 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.387 -0.827 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.438 -0.053 -5.594 1.00 0.00 H new ATOM 397 N ASP A 26 -7.954 -0.993 -4.948 1.00 0.00 N ATOM 398 CA ASP A 26 -6.540 -1.106 -4.633 1.00 0.00 C ATOM 399 C ASP A 26 -6.147 -0.213 -3.459 1.00 0.00 C ATOM 400 O ASP A 26 -6.843 0.750 -3.126 1.00 0.00 O ATOM 401 CB ASP A 26 -5.706 -0.807 -5.889 1.00 0.00 C ATOM 402 CG ASP A 26 -5.553 0.687 -6.134 1.00 0.00 C ATOM 403 OD1 ASP A 26 -4.658 1.311 -5.525 1.00 0.00 O ATOM 404 OD2 ASP A 26 -6.345 1.242 -6.923 1.00 0.00 O ATOM 0 H ASP A 26 -8.180 -0.185 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.334 -2.129 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.720 -1.259 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.179 -1.269 -6.756 1.00 0.00 H new ATOM 410 N VAL A 27 -5.005 -0.508 -2.840 1.00 0.00 N ATOM 411 CA VAL A 27 -4.530 0.145 -1.636 1.00 0.00 C ATOM 412 C VAL A 27 -4.173 1.625 -1.813 1.00 0.00 C ATOM 413 O VAL A 27 -4.358 2.410 -0.876 1.00 0.00 O ATOM 414 CB VAL A 27 -3.332 -0.642 -1.084 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.744 -2.059 -0.643 1.00 0.00 C ATOM 416 CG2 VAL A 27 -2.153 -0.752 -2.051 1.00 0.00 C ATOM 0 H VAL A 27 -4.370 -1.231 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.358 0.142 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.996 -0.059 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.872 -2.588 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.502 -1.991 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.150 -2.602 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.351 -1.322 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.475 -1.258 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.792 0.246 -2.299 1.00 0.00 H new ATOM 426 N VAL A 28 -3.668 2.024 -2.982 1.00 0.00 N ATOM 427 CA VAL A 28 -3.343 3.417 -3.277 1.00 0.00 C ATOM 428 C VAL A 28 -4.678 4.168 -3.357 1.00 0.00 C ATOM 429 O VAL A 28 -4.825 5.244 -2.779 1.00 0.00 O ATOM 430 CB VAL A 28 -2.506 3.513 -4.581 1.00 0.00 C ATOM 431 CG1 VAL A 28 -2.076 4.951 -4.904 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.244 2.634 -4.505 1.00 0.00 C ATOM 0 H VAL A 28 -3.473 1.385 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.722 3.868 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.162 3.157 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.494 4.958 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.960 5.576 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.468 5.341 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.681 2.725 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.623 2.961 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.534 1.594 -4.356 1.00 0.00 H new ATOM 442 N SER A 29 -5.679 3.558 -3.996 1.00 0.00 N ATOM 443 CA SER A 29 -7.039 4.102 -4.051 1.00 0.00 C ATOM 444 C SER A 29 -7.730 4.175 -2.690 1.00 0.00 C ATOM 445 O SER A 29 -8.513 5.094 -2.446 1.00 0.00 O ATOM 446 CB SER A 29 -7.923 3.305 -4.997 1.00 0.00 C ATOM 447 OG SER A 29 -7.515 3.520 -6.336 1.00 0.00 O ATOM 0 H SER A 29 -5.570 2.672 -4.490 1.00 0.00 H new ATOM 0 HA SER A 29 -6.912 5.120 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.864 2.244 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.964 3.603 -4.873 1.00 0.00 H new ATOM 0 HG SER A 29 -7.055 2.722 -6.670 1.00 0.00 H new ATOM 453 N LEU A 30 -7.450 3.230 -1.793 1.00 0.00 N ATOM 454 CA LEU A 30 -7.911 3.290 -0.414 1.00 0.00 C ATOM 455 C LEU A 30 -7.243 4.441 0.350 1.00 0.00 C ATOM 456 O LEU A 30 -7.653 4.738 1.468 1.00 0.00 O ATOM 457 CB LEU A 30 -7.662 1.936 0.272 1.00 0.00 C ATOM 458 CG LEU A 30 -8.835 0.953 0.112 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.357 -0.501 0.059 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.795 1.112 1.296 1.00 0.00 C ATOM 0 H LEU A 30 -6.896 2.401 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.982 3.491 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.760 1.486 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.477 2.102 1.333 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.335 1.184 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.216 -1.162 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.684 -0.632 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.831 -0.745 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.627 0.417 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.266 0.900 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.176 2.133 1.321 1.00 0.00 H new ATOM 472 N GLY A 31 -6.226 5.107 -0.202 1.00 0.00 N ATOM 473 CA GLY A 31 -5.476 6.119 0.523 1.00 0.00 C ATOM 474 C GLY A 31 -4.763 5.502 1.724 1.00 0.00 C ATOM 475 O GLY A 31 -4.664 6.136 2.779 1.00 0.00 O ATOM 0 H GLY A 31 -5.906 4.957 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.747 6.584 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.149 6.908 0.859 1.00 0.00 H new ATOM 479 N LEU A 32 -4.329 4.246 1.593 1.00 0.00 N ATOM 480 CA LEU A 32 -3.299 3.670 2.444 1.00 0.00 C ATOM 481 C LEU A 32 -1.959 4.220 1.910 1.00 0.00 C ATOM 482 O LEU A 32 -1.916 5.003 0.954 1.00 0.00 O ATOM 483 CB LEU A 32 -3.360 2.115 2.426 1.00 0.00 C ATOM 484 CG LEU A 32 -4.775 1.513 2.590 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.821 0.030 2.208 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.335 1.666 4.007 1.00 0.00 C ATOM 0 H LEU A 32 -4.688 3.601 0.888 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.433 3.944 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.938 1.761 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.724 1.732 3.225 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.399 2.088 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.835 -0.348 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.522 -0.087 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.139 -0.531 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.330 1.223 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.678 1.160 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.396 2.724 4.262 1.00 0.00 H new ATOM 498 N VAL A 33 -0.871 3.770 2.520 1.00 0.00 N ATOM 499 CA VAL A 33 0.499 4.238 2.509 1.00 0.00 C ATOM 500 C VAL A 33 0.592 5.655 3.103 1.00 0.00 C ATOM 501 O VAL A 33 -0.354 6.442 3.095 1.00 0.00 O ATOM 502 CB VAL A 33 1.064 4.065 1.096 1.00 0.00 C ATOM 503 CG1 VAL A 33 2.534 4.484 0.987 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.914 2.637 0.545 1.00 0.00 C ATOM 0 H VAL A 33 -0.948 2.948 3.119 1.00 0.00 H new ATOM 0 HA VAL A 33 1.136 3.641 3.161 1.00 0.00 H new ATOM 0 HB VAL A 33 0.456 4.734 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.879 4.339 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.634 5.535 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.137 3.876 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.336 2.588 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.442 1.939 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.142 2.370 0.508 1.00 0.00 H new ATOM 514 N TYR A 34 1.759 5.964 3.667 1.00 0.00 N ATOM 515 CA TYR A 34 2.127 7.262 4.203 1.00 0.00 C ATOM 516 C TYR A 34 3.457 7.677 3.592 1.00 0.00 C ATOM 517 O TYR A 34 3.549 8.748 2.985 1.00 0.00 O ATOM 518 CB TYR A 34 2.209 7.212 5.743 1.00 0.00 C ATOM 519 CG TYR A 34 0.890 7.184 6.508 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.216 7.941 6.072 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.789 6.446 7.705 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.412 7.945 6.804 1.00 0.00 C ATOM 523 CE2 TYR A 34 -0.402 6.452 8.458 1.00 0.00 C ATOM 524 CZ TYR A 34 -1.510 7.200 7.998 1.00 0.00 C ATOM 525 OH TYR A 34 -2.683 7.256 8.686 1.00 0.00 O ATOM 0 H TYR A 34 2.507 5.277 3.764 1.00 0.00 H new ATOM 0 HA TYR A 34 1.367 8.000 3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.781 6.327 6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.777 8.079 6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.142 8.523 5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.635 5.869 8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.258 8.518 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.468 5.890 9.378 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.619 6.697 9.489 1.00 0.00 H new ATOM 535 N ASP A 35 4.479 6.831 3.716 1.00 0.00 N ATOM 536 CA ASP A 35 5.874 7.176 3.461 1.00 0.00 C ATOM 537 C ASP A 35 6.521 6.067 2.664 1.00 0.00 C ATOM 538 O ASP A 35 6.213 4.903 2.904 1.00 0.00 O ATOM 539 CB ASP A 35 6.624 7.302 4.782 1.00 0.00 C ATOM 540 CG ASP A 35 7.494 8.544 4.812 1.00 0.00 C ATOM 541 OD1 ASP A 35 8.393 8.736 3.960 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.217 9.421 5.660 1.00 0.00 O ATOM 0 H ASP A 35 4.354 5.861 4.005 1.00 0.00 H new ATOM 0 HA ASP A 35 5.912 8.119 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.910 7.337 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.244 6.419 4.935 1.00 0.00 H new ATOM 548 N ILE A 36 7.410 6.424 1.745 1.00 0.00 N ATOM 549 CA ILE A 36 8.011 5.537 0.771 1.00 0.00 C ATOM 550 C ILE A 36 9.446 6.039 0.580 1.00 0.00 C ATOM 551 O ILE A 36 9.709 6.931 -0.233 1.00 0.00 O ATOM 552 CB ILE A 36 7.172 5.571 -0.534 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.654 5.352 -0.341 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.697 4.509 -1.501 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.872 5.580 -1.631 1.00 0.00 C ATOM 0 H ILE A 36 7.743 7.384 1.659 1.00 0.00 H new ATOM 0 HA ILE A 36 8.032 4.494 1.088 1.00 0.00 H new ATOM 0 HB ILE A 36 7.287 6.581 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.477 4.337 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.286 6.029 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.109 4.530 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.742 4.714 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.614 3.525 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.810 5.415 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.026 6.603 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.220 4.885 -2.395 1.00 0.00 H new ATOM 567 N GLN A 37 10.378 5.506 1.369 1.00 0.00 N ATOM 568 CA GLN A 37 11.770 5.926 1.393 1.00 0.00 C ATOM 569 C GLN A 37 12.663 4.794 0.936 1.00 0.00 C ATOM 570 O GLN A 37 12.782 3.786 1.635 1.00 0.00 O ATOM 571 CB GLN A 37 12.164 6.357 2.800 1.00 0.00 C ATOM 572 CG GLN A 37 11.816 7.829 2.994 1.00 0.00 C ATOM 573 CD GLN A 37 12.380 8.353 4.310 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.256 9.213 4.342 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.899 7.833 5.427 1.00 0.00 N ATOM 0 H GLN A 37 10.176 4.751 2.024 1.00 0.00 H new ATOM 0 HA GLN A 37 11.891 6.771 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.642 5.748 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.232 6.201 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.215 8.413 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.733 7.955 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.171 7.119 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.256 8.146 6.330 1.00 0.00 H new ATOM 584 N ILE A 38 13.274 4.960 -0.237 1.00 0.00 N ATOM 585 CA ILE A 38 13.900 3.846 -0.921 1.00 0.00 C ATOM 586 C ILE A 38 15.381 4.140 -1.031 1.00 0.00 C ATOM 587 O ILE A 38 15.809 5.125 -1.638 1.00 0.00 O ATOM 588 CB ILE A 38 13.194 3.566 -2.247 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.692 3.341 -1.971 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.797 2.307 -2.890 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.864 3.742 -3.159 1.00 0.00 C ATOM 0 H ILE A 38 13.345 5.853 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 38 13.799 2.916 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 38 13.322 4.410 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.514 2.292 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.388 3.919 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.295 2.105 -3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.860 2.464 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.664 1.457 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.809 3.574 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.026 4.798 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.155 3.145 -4.023 1.00 0.00 H new ATOM 603 N ASP A 39 16.140 3.296 -0.343 1.00 0.00 N ATOM 604 CA ASP A 39 17.548 3.507 -0.063 1.00 0.00 C ATOM 605 C ASP A 39 18.414 3.370 -1.320 1.00 0.00 C ATOM 606 O ASP A 39 17.930 3.038 -2.407 1.00 0.00 O ATOM 607 CB ASP A 39 17.960 2.533 1.040 1.00 0.00 C ATOM 608 CG ASP A 39 19.195 3.024 1.766 1.00 0.00 C ATOM 609 OD1 ASP A 39 20.309 2.694 1.323 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.011 3.774 2.753 1.00 0.00 O ATOM 0 H ASP A 39 15.780 2.424 0.044 1.00 0.00 H new ATOM 0 HA ASP A 39 17.707 4.530 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.141 2.414 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.154 1.551 0.609 1.00 0.00 H new ATOM 616 N ASP A 40 19.710 3.630 -1.194 1.00 0.00 N ATOM 617 CA ASP A 40 20.695 3.504 -2.264 1.00 0.00 C ATOM 618 C ASP A 40 21.068 2.036 -2.525 1.00 0.00 C ATOM 619 O ASP A 40 21.761 1.721 -3.494 1.00 0.00 O ATOM 620 CB ASP A 40 21.924 4.354 -1.921 1.00 0.00 C ATOM 621 CG ASP A 40 22.605 4.821 -3.200 1.00 0.00 C ATOM 622 OD1 ASP A 40 21.950 5.588 -3.949 1.00 0.00 O ATOM 623 OD2 ASP A 40 23.757 4.418 -3.466 1.00 0.00 O ATOM 0 H ASP A 40 20.119 3.945 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 40 20.259 3.875 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.626 5.215 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.622 3.773 -1.318 1.00 0.00 H new ATOM 629 N GLN A 41 20.574 1.116 -1.695 1.00 0.00 N ATOM 630 CA GLN A 41 20.528 -0.326 -1.947 1.00 0.00 C ATOM 631 C GLN A 41 19.073 -0.794 -2.095 1.00 0.00 C ATOM 632 O GLN A 41 18.740 -1.930 -1.761 1.00 0.00 O ATOM 633 CB GLN A 41 21.327 -1.079 -0.858 1.00 0.00 C ATOM 634 CG GLN A 41 22.827 -0.755 -0.789 1.00 0.00 C ATOM 635 CD GLN A 41 23.636 -1.325 -1.955 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.374 -0.856 -3.161 1.00 0.00 O flip ATOM 637 NE2 GLN A 41 24.496 -2.181 -1.784 1.00 0.00 N flip ATOM 0 H GLN A 41 20.178 1.366 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 41 21.013 -0.560 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.881 -0.858 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 41 21.213 -2.150 -1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.955 0.327 -0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 41 23.231 -1.144 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 41 24.686 -2.533 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 41 25.022 -2.542 -2.580 1.00 0.00 H new ATOM 646 N ASN A 42 18.190 0.089 -2.573 1.00 0.00 N ATOM 647 CA ASN A 42 16.817 -0.182 -3.001 1.00 0.00 C ATOM 648 C ASN A 42 16.014 -0.821 -1.873 1.00 0.00 C ATOM 649 O ASN A 42 15.150 -1.668 -2.109 1.00 0.00 O ATOM 650 CB ASN A 42 16.755 -1.051 -4.263 1.00 0.00 C ATOM 651 CG ASN A 42 17.558 -0.560 -5.462 1.00 0.00 C ATOM 652 OD1 ASN A 42 18.617 0.044 -5.357 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.089 -0.883 -6.650 1.00 0.00 N ATOM 0 H ASN A 42 18.432 1.074 -2.677 1.00 0.00 H new ATOM 0 HA ASN A 42 16.371 0.780 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.101 -2.052 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.712 -1.142 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.609 -0.630 -7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.206 -1.387 -6.730 1.00 0.00 H new ATOM 660 N ASN A 43 16.349 -0.470 -0.629 1.00 0.00 N ATOM 661 CA ASN A 43 15.656 -0.961 0.549 1.00 0.00 C ATOM 662 C ASN A 43 14.297 -0.285 0.508 1.00 0.00 C ATOM 663 O ASN A 43 14.223 0.907 0.807 1.00 0.00 O ATOM 664 CB ASN A 43 16.385 -0.591 1.860 1.00 0.00 C ATOM 665 CG ASN A 43 17.836 -1.038 2.049 1.00 0.00 C ATOM 666 OD1 ASN A 43 18.586 -1.359 1.011 1.00 0.00 O flip ATOM 667 ND2 ASN A 43 18.320 -1.059 3.172 1.00 0.00 N flip ATOM 0 H ASN A 43 17.116 0.168 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 43 15.599 -2.049 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.359 0.494 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.804 -0.999 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.747 -0.812 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 43 19.297 -1.323 3.302 1.00 0.00 H new ATOM 674 N VAL A 44 13.253 -0.968 0.034 1.00 0.00 N ATOM 675 CA VAL A 44 11.945 -0.349 -0.106 1.00 0.00 C ATOM 676 C VAL A 44 11.277 -0.344 1.264 1.00 0.00 C ATOM 677 O VAL A 44 10.810 -1.387 1.724 1.00 0.00 O ATOM 678 CB VAL A 44 11.172 -1.077 -1.228 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.674 -0.746 -1.263 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.755 -0.716 -2.603 1.00 0.00 C ATOM 0 H VAL A 44 13.293 -1.945 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 44 11.990 0.694 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 44 11.283 -2.139 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.199 -1.294 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.216 -1.032 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.541 0.324 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.199 -1.237 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.678 0.360 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.803 -1.014 -2.644 1.00 0.00 H new ATOM 690 N LYS A 45 11.264 0.821 1.931 1.00 0.00 N ATOM 691 CA LYS A 45 10.745 0.978 3.273 1.00 0.00 C ATOM 692 C LYS A 45 9.488 1.799 3.203 1.00 0.00 C ATOM 693 O LYS A 45 9.523 2.929 2.701 1.00 0.00 O ATOM 694 CB LYS A 45 11.806 1.557 4.203 1.00 0.00 C ATOM 695 CG LYS A 45 11.273 1.584 5.655 1.00 0.00 C ATOM 696 CD LYS A 45 12.244 1.142 6.757 1.00 0.00 C ATOM 697 CE LYS A 45 13.177 2.236 7.265 1.00 0.00 C ATOM 698 NZ LYS A 45 13.995 1.734 8.389 1.00 0.00 N ATOM 0 H LYS A 45 11.624 1.689 1.533 1.00 0.00 H new ATOM 0 HA LYS A 45 10.487 0.011 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.715 0.957 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.071 2.565 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.946 2.600 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.390 0.947 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.666 0.758 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.847 0.316 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.826 2.574 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.594 3.099 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.625 2.490 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.371 1.433 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.565 0.925 8.069 1.00 0.00 H new ATOM 712 N VAL A 46 8.372 1.187 3.574 1.00 0.00 N ATOM 713 CA VAL A 46 7.063 1.779 3.389 1.00 0.00 C ATOM 714 C VAL A 46 6.321 1.775 4.710 1.00 0.00 C ATOM 715 O VAL A 46 6.122 0.731 5.335 1.00 0.00 O ATOM 716 CB VAL A 46 6.269 1.082 2.274 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.996 1.887 1.978 1.00 0.00 C ATOM 718 CG2 VAL A 46 7.076 0.940 0.975 1.00 0.00 C ATOM 0 H VAL A 46 8.353 0.266 4.012 1.00 0.00 H new ATOM 0 HA VAL A 46 7.186 2.812 3.062 1.00 0.00 H new ATOM 0 HB VAL A 46 6.028 0.080 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.430 1.395 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.385 1.946 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.268 2.893 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.467 0.441 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.362 1.928 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.972 0.350 1.166 1.00 0.00 H new ATOM 728 N LEU A 47 5.871 2.957 5.110 1.00 0.00 N ATOM 729 CA LEU A 47 4.898 3.108 6.172 1.00 0.00 C ATOM 730 C LEU A 47 3.529 2.887 5.545 1.00 0.00 C ATOM 731 O LEU A 47 3.064 3.753 4.798 1.00 0.00 O ATOM 732 CB LEU A 47 5.013 4.508 6.800 1.00 0.00 C ATOM 733 CG LEU A 47 5.996 4.593 7.980 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.350 3.913 7.728 1.00 0.00 C ATOM 735 CD2 LEU A 47 6.244 6.063 8.352 1.00 0.00 C ATOM 0 H LEU A 47 6.176 3.840 4.701 1.00 0.00 H new ATOM 0 HA LEU A 47 5.064 2.389 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.325 5.214 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.027 4.823 7.140 1.00 0.00 H new ATOM 0 HG LEU A 47 5.518 4.050 8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.981 4.021 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.193 2.854 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.839 4.381 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.941 6.114 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.666 6.589 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.301 6.530 8.636 1.00 0.00 H new ATOM 747 N MET A 48 2.887 1.746 5.820 1.00 0.00 N ATOM 748 CA MET A 48 1.467 1.539 5.544 1.00 0.00 C ATOM 749 C MET A 48 0.727 1.280 6.861 1.00 0.00 C ATOM 750 O MET A 48 1.324 1.062 7.914 1.00 0.00 O ATOM 751 CB MET A 48 1.272 0.408 4.513 1.00 0.00 C ATOM 752 CG MET A 48 -0.079 0.522 3.787 1.00 0.00 C ATOM 753 SD MET A 48 -0.480 -0.733 2.549 1.00 0.00 S ATOM 754 CE MET A 48 -0.950 -2.107 3.635 1.00 0.00 C ATOM 0 H MET A 48 3.344 0.938 6.243 1.00 0.00 H new ATOM 0 HA MET A 48 1.039 2.436 5.096 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.081 0.439 3.783 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.334 -0.557 5.016 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.866 0.512 4.541 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.116 1.497 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.529 -3.036 3.250 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.568 -1.924 4.639 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.036 -2.188 3.670 1.00 0.00 H new ATOM 764 N THR A 49 -0.588 1.342 6.821 1.00 0.00 N ATOM 765 CA THR A 49 -1.507 1.083 7.910 1.00 0.00 C ATOM 766 C THR A 49 -2.774 0.589 7.204 1.00 0.00 C ATOM 767 O THR A 49 -3.080 1.066 6.107 1.00 0.00 O ATOM 768 CB THR A 49 -1.675 2.379 8.745 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.454 2.155 9.896 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.250 3.586 7.983 1.00 0.00 C ATOM 0 H THR A 49 -1.078 1.593 5.963 1.00 0.00 H new ATOM 0 HA THR A 49 -1.183 0.338 8.636 1.00 0.00 H new ATOM 0 HB THR A 49 -0.652 2.642 9.015 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.873 2.130 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.327 4.439 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.592 3.839 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.239 3.337 7.600 1.00 0.00 H new ATOM 778 N MET A 50 -3.470 -0.395 7.768 1.00 0.00 N ATOM 779 CA MET A 50 -4.634 -1.014 7.147 1.00 0.00 C ATOM 780 C MET A 50 -5.868 -0.131 7.339 1.00 0.00 C ATOM 781 O MET A 50 -5.865 0.802 8.144 1.00 0.00 O ATOM 782 CB MET A 50 -4.864 -2.415 7.756 1.00 0.00 C ATOM 783 CG MET A 50 -4.798 -3.509 6.687 1.00 0.00 C ATOM 784 SD MET A 50 -3.149 -3.702 5.966 1.00 0.00 S ATOM 785 CE MET A 50 -3.497 -4.955 4.707 1.00 0.00 C ATOM 0 H MET A 50 -3.237 -0.788 8.680 1.00 0.00 H new ATOM 0 HA MET A 50 -4.456 -1.122 6.077 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.113 -2.608 8.522 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.836 -2.444 8.248 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.109 -4.457 7.127 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.509 -3.277 5.894 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.581 -5.191 4.166 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.878 -5.857 5.187 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.242 -4.573 4.009 1.00 0.00 H new ATOM 795 N THR A 51 -6.947 -0.483 6.639 1.00 0.00 N ATOM 796 CA THR A 51 -8.278 0.094 6.770 1.00 0.00 C ATOM 797 C THR A 51 -8.706 0.075 8.244 1.00 0.00 C ATOM 798 O THR A 51 -9.031 1.111 8.827 1.00 0.00 O ATOM 799 CB THR A 51 -9.237 -0.736 5.884 1.00 0.00 C ATOM 800 OG1 THR A 51 -8.578 -1.187 4.712 1.00 0.00 O ATOM 801 CG2 THR A 51 -10.487 0.021 5.451 1.00 0.00 C ATOM 0 H THR A 51 -6.910 -1.216 5.930 1.00 0.00 H new ATOM 0 HA THR A 51 -8.295 1.134 6.443 1.00 0.00 H new ATOM 0 HB THR A 51 -9.546 -1.571 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.202 -1.711 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.109 -0.627 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.049 0.330 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.199 0.902 4.877 1.00 0.00 H new ATOM 809 N THR A 52 -8.682 -1.111 8.854 1.00 0.00 N ATOM 810 CA THR A 52 -9.080 -1.375 10.230 1.00 0.00 C ATOM 811 C THR A 52 -8.335 -2.632 10.715 1.00 0.00 C ATOM 812 O THR A 52 -7.785 -3.356 9.883 1.00 0.00 O ATOM 813 CB THR A 52 -10.603 -1.604 10.281 1.00 0.00 C ATOM 814 OG1 THR A 52 -11.026 -2.519 9.287 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.442 -0.337 10.093 1.00 0.00 C ATOM 0 H THR A 52 -8.368 -1.954 8.373 1.00 0.00 H new ATOM 0 HA THR A 52 -8.831 -0.531 10.873 1.00 0.00 H new ATOM 0 HB THR A 52 -10.769 -1.990 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.247 -2.989 8.922 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.501 -0.591 10.143 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.203 0.378 10.880 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.221 0.105 9.122 1.00 0.00 H new ATOM 823 N PRO A 53 -8.343 -2.974 12.017 1.00 0.00 N ATOM 824 CA PRO A 53 -7.874 -4.281 12.472 1.00 0.00 C ATOM 825 C PRO A 53 -8.748 -5.429 11.944 1.00 0.00 C ATOM 826 O PRO A 53 -8.255 -6.525 11.683 1.00 0.00 O ATOM 827 CB PRO A 53 -7.921 -4.230 14.006 1.00 0.00 C ATOM 828 CG PRO A 53 -7.964 -2.738 14.332 1.00 0.00 C ATOM 829 CD PRO A 53 -8.728 -2.148 13.150 1.00 0.00 C ATOM 0 HA PRO A 53 -6.870 -4.478 12.097 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.798 -4.748 14.395 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.047 -4.709 14.447 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.472 -2.546 15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.963 -2.315 14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.805 -2.181 13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.463 -1.103 12.988 1.00 0.00 H new ATOM 837 N MET A 54 -10.058 -5.192 11.816 1.00 0.00 N ATOM 838 CA MET A 54 -11.088 -6.207 11.572 1.00 0.00 C ATOM 839 C MET A 54 -11.172 -6.704 10.120 1.00 0.00 C ATOM 840 O MET A 54 -12.110 -7.436 9.789 1.00 0.00 O ATOM 841 CB MET A 54 -12.442 -5.690 12.105 1.00 0.00 C ATOM 842 CG MET A 54 -12.982 -4.425 11.421 1.00 0.00 C ATOM 843 SD MET A 54 -13.984 -4.681 9.930 1.00 0.00 S ATOM 844 CE MET A 54 -14.448 -2.958 9.588 1.00 0.00 C ATOM 0 H MET A 54 -10.445 -4.250 11.882 1.00 0.00 H new ATOM 0 HA MET A 54 -10.797 -7.101 12.123 1.00 0.00 H new ATOM 0 HB2 MET A 54 -13.182 -6.484 11.998 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.340 -5.490 13.172 1.00 0.00 H new ATOM 0 HG2 MET A 54 -13.582 -3.874 12.146 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.136 -3.790 11.159 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.272 -2.938 8.875 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.758 -2.474 10.514 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.593 -2.427 9.170 1.00 0.00 H new ATOM 854 N CYS A 55 -10.218 -6.341 9.252 1.00 0.00 N ATOM 855 CA CYS A 55 -10.188 -6.820 7.875 1.00 0.00 C ATOM 856 C CYS A 55 -10.186 -8.362 7.846 1.00 0.00 C ATOM 857 O CYS A 55 -9.644 -8.995 8.754 1.00 0.00 O ATOM 858 CB CYS A 55 -8.958 -6.269 7.151 1.00 0.00 C ATOM 859 SG CYS A 55 -8.960 -4.451 7.131 1.00 0.00 S ATOM 0 H CYS A 55 -9.452 -5.710 9.489 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.081 -6.466 7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.054 -6.628 7.642 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.937 -6.646 6.128 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.503 -4.004 8.263 1.00 0.00 H new ATOM 865 N PRO A 56 -10.753 -8.994 6.806 1.00 0.00 N ATOM 866 CA PRO A 56 -11.306 -10.337 6.920 1.00 0.00 C ATOM 867 C PRO A 56 -10.254 -11.442 6.807 1.00 0.00 C ATOM 868 O PRO A 56 -10.330 -12.468 7.483 1.00 0.00 O ATOM 869 CB PRO A 56 -12.331 -10.425 5.785 1.00 0.00 C ATOM 870 CG PRO A 56 -11.789 -9.479 4.710 1.00 0.00 C ATOM 871 CD PRO A 56 -11.027 -8.417 5.503 1.00 0.00 C ATOM 0 HA PRO A 56 -11.745 -10.494 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.421 -11.444 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.322 -10.120 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.135 -10.001 4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.595 -9.038 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.101 -8.145 4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.618 -7.506 5.599 1.00 0.00 H new ATOM 879 N LEU A 57 -9.282 -11.248 5.921 1.00 0.00 N ATOM 880 CA LEU A 57 -8.185 -12.155 5.620 1.00 0.00 C ATOM 881 C LEU A 57 -6.932 -11.294 5.513 1.00 0.00 C ATOM 882 O LEU A 57 -6.219 -11.318 4.511 1.00 0.00 O ATOM 883 CB LEU A 57 -8.474 -13.025 4.368 1.00 0.00 C ATOM 884 CG LEU A 57 -9.328 -12.417 3.232 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.714 -11.166 2.595 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.559 -13.472 2.146 1.00 0.00 C ATOM 0 H LEU A 57 -9.239 -10.398 5.359 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.046 -12.894 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.516 -13.321 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.969 -13.936 4.704 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.268 -12.106 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.372 -10.799 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.591 -10.394 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.742 -11.414 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.161 -13.044 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.599 -13.797 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.081 -14.327 2.575 1.00 0.00 H new ATOM 898 N ALA A 58 -6.690 -10.470 6.538 1.00 0.00 N ATOM 899 CA ALA A 58 -5.689 -9.421 6.452 1.00 0.00 C ATOM 900 C ALA A 58 -4.304 -9.996 6.144 1.00 0.00 C ATOM 901 O ALA A 58 -3.535 -9.320 5.482 1.00 0.00 O ATOM 902 CB ALA A 58 -5.619 -8.597 7.742 1.00 0.00 C ATOM 0 H ALA A 58 -7.177 -10.515 7.433 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.994 -8.767 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.859 -7.823 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.587 -8.132 7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.361 -9.249 8.577 1.00 0.00 H new ATOM 908 N GLY A 59 -3.985 -11.218 6.588 1.00 0.00 N ATOM 909 CA GLY A 59 -2.705 -11.861 6.309 1.00 0.00 C ATOM 910 C GLY A 59 -2.459 -12.047 4.820 1.00 0.00 C ATOM 911 O GLY A 59 -1.348 -11.799 4.349 1.00 0.00 O ATOM 0 H GLY A 59 -4.614 -11.788 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.900 -11.261 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.675 -12.832 6.803 1.00 0.00 H new ATOM 915 N MET A 60 -3.503 -12.423 4.081 1.00 0.00 N ATOM 916 CA MET A 60 -3.472 -12.490 2.630 1.00 0.00 C ATOM 917 C MET A 60 -3.233 -11.096 2.069 1.00 0.00 C ATOM 918 O MET A 60 -2.316 -10.947 1.279 1.00 0.00 O ATOM 919 CB MET A 60 -4.767 -13.108 2.092 1.00 0.00 C ATOM 920 CG MET A 60 -4.546 -14.544 1.612 1.00 0.00 C ATOM 921 SD MET A 60 -6.070 -15.422 1.175 1.00 0.00 S ATOM 922 CE MET A 60 -5.376 -16.809 0.230 1.00 0.00 C ATOM 0 H MET A 60 -4.401 -12.691 4.483 1.00 0.00 H new ATOM 0 HA MET A 60 -2.654 -13.135 2.308 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.528 -13.097 2.872 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.146 -12.502 1.269 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.887 -14.528 0.744 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.030 -15.101 2.394 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.184 -17.454 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.825 -16.425 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.702 -17.382 0.867 1.00 0.00 H new ATOM 932 N ILE A 61 -3.980 -10.072 2.493 1.00 0.00 N ATOM 933 CA ILE A 61 -3.791 -8.706 1.982 1.00 0.00 C ATOM 934 C ILE A 61 -2.356 -8.218 2.269 1.00 0.00 C ATOM 935 O ILE A 61 -1.726 -7.591 1.422 1.00 0.00 O ATOM 936 CB ILE A 61 -4.855 -7.730 2.552 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.294 -8.293 2.437 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.765 -6.381 1.811 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.383 -7.392 3.028 1.00 0.00 C ATOM 0 H ILE A 61 -4.721 -10.160 3.188 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.931 -8.725 0.901 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.642 -7.595 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.518 -8.468 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.332 -9.261 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.512 -5.696 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.771 -5.955 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.948 -6.537 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.356 -7.867 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.190 -7.236 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.379 -6.431 2.514 1.00 0.00 H new ATOM 951 N LEU A 62 -1.814 -8.507 3.455 1.00 0.00 N ATOM 952 CA LEU A 62 -0.457 -8.141 3.852 1.00 0.00 C ATOM 953 C LEU A 62 0.575 -8.899 3.013 1.00 0.00 C ATOM 954 O LEU A 62 1.631 -8.348 2.702 1.00 0.00 O ATOM 955 CB LEU A 62 -0.247 -8.439 5.351 1.00 0.00 C ATOM 956 CG LEU A 62 -1.045 -7.526 6.305 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.098 -8.134 7.713 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.465 -6.116 6.393 1.00 0.00 C ATOM 0 H LEU A 62 -2.321 -9.014 4.181 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.322 -7.073 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.524 -9.475 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.814 -8.345 5.582 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.050 -7.451 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.665 -7.476 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.582 -9.110 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.085 -8.248 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.066 -5.518 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.560 -6.167 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.475 -5.656 5.405 1.00 0.00 H new ATOM 970 N SER A 63 0.300 -10.156 2.659 1.00 0.00 N ATOM 971 CA SER A 63 1.095 -10.937 1.721 1.00 0.00 C ATOM 972 C SER A 63 1.032 -10.272 0.348 1.00 0.00 C ATOM 973 O SER A 63 2.067 -10.082 -0.276 1.00 0.00 O ATOM 974 CB SER A 63 0.604 -12.394 1.729 1.00 0.00 C ATOM 975 OG SER A 63 1.370 -13.221 0.877 1.00 0.00 O ATOM 0 H SER A 63 -0.502 -10.667 3.028 1.00 0.00 H new ATOM 0 HA SER A 63 2.145 -10.965 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.647 -12.784 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.441 -12.425 1.419 1.00 0.00 H new ATOM 0 HG SER A 63 1.025 -14.138 0.914 1.00 0.00 H new ATOM 981 N ASP A 64 -0.157 -9.892 -0.107 1.00 0.00 N ATOM 982 CA ASP A 64 -0.431 -9.363 -1.435 1.00 0.00 C ATOM 983 C ASP A 64 0.293 -8.030 -1.638 1.00 0.00 C ATOM 984 O ASP A 64 0.978 -7.843 -2.642 1.00 0.00 O ATOM 985 CB ASP A 64 -1.949 -9.212 -1.593 1.00 0.00 C ATOM 986 CG ASP A 64 -2.441 -9.449 -3.015 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.150 -10.546 -3.557 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.249 -8.650 -3.515 1.00 0.00 O ATOM 0 H ASP A 64 -0.996 -9.948 0.470 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.060 -10.047 -2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.447 -9.913 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.241 -8.210 -1.279 1.00 0.00 H new ATOM 994 N ALA A 65 0.214 -7.123 -0.655 1.00 0.00 N ATOM 995 CA ALA A 65 0.929 -5.851 -0.644 1.00 0.00 C ATOM 996 C ALA A 65 2.427 -6.084 -0.827 1.00 0.00 C ATOM 997 O ALA A 65 3.053 -5.500 -1.715 1.00 0.00 O ATOM 998 CB ALA A 65 0.642 -5.104 0.665 1.00 0.00 C ATOM 0 H ALA A 65 -0.365 -7.262 0.173 1.00 0.00 H new ATOM 0 HA ALA A 65 0.581 -5.236 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.178 -4.155 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.428 -4.916 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.972 -5.709 1.509 1.00 0.00 H new ATOM 1004 N GLU A 66 3.001 -6.959 -0.002 1.00 0.00 N ATOM 1005 CA GLU A 66 4.379 -7.374 -0.082 1.00 0.00 C ATOM 1006 C GLU A 66 4.689 -8.022 -1.438 1.00 0.00 C ATOM 1007 O GLU A 66 5.791 -7.845 -1.946 1.00 0.00 O ATOM 1008 CB GLU A 66 4.605 -8.335 1.085 1.00 0.00 C ATOM 1009 CG GLU A 66 6.070 -8.508 1.436 1.00 0.00 C ATOM 1010 CD GLU A 66 6.194 -9.653 2.429 1.00 0.00 C ATOM 1011 OE1 GLU A 66 5.879 -9.451 3.627 1.00 0.00 O ATOM 1012 OE2 GLU A 66 6.523 -10.774 1.970 1.00 0.00 O ATOM 0 H GLU A 66 2.493 -7.406 0.761 1.00 0.00 H new ATOM 0 HA GLU A 66 5.056 -6.522 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.069 -7.968 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.180 -9.307 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.652 -8.719 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.468 -7.589 1.866 1.00 0.00 H new ATOM 1020 N GLU A 67 3.748 -8.752 -2.039 1.00 0.00 N ATOM 1021 CA GLU A 67 3.890 -9.451 -3.313 1.00 0.00 C ATOM 1022 C GLU A 67 3.954 -8.468 -4.490 1.00 0.00 C ATOM 1023 O GLU A 67 4.715 -8.685 -5.432 1.00 0.00 O ATOM 1024 CB GLU A 67 2.784 -10.517 -3.444 1.00 0.00 C ATOM 1025 CG GLU A 67 3.061 -11.549 -4.551 1.00 0.00 C ATOM 1026 CD GLU A 67 2.178 -12.804 -4.461 1.00 0.00 C ATOM 1027 OE1 GLU A 67 1.271 -12.899 -3.608 1.00 0.00 O ATOM 1028 OE2 GLU A 67 2.410 -13.747 -5.269 1.00 0.00 O ATOM 0 H GLU A 67 2.822 -8.877 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 67 4.843 -9.979 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.675 -11.036 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.834 -10.022 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.909 -11.077 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.108 -11.848 -4.503 1.00 0.00 H new ATOM 1036 N ALA A 68 3.250 -7.332 -4.415 1.00 0.00 N ATOM 1037 CA ALA A 68 3.452 -6.234 -5.357 1.00 0.00 C ATOM 1038 C ALA A 68 4.815 -5.614 -5.118 1.00 0.00 C ATOM 1039 O ALA A 68 5.580 -5.404 -6.058 1.00 0.00 O ATOM 1040 CB ALA A 68 2.399 -5.137 -5.222 1.00 0.00 C ATOM 0 H ALA A 68 2.536 -7.153 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 68 3.372 -6.657 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.600 -4.348 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.410 -5.557 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.433 -4.722 -4.215 1.00 0.00 H new ATOM 1046 N ILE A 69 5.100 -5.281 -3.862 1.00 0.00 N ATOM 1047 CA ILE A 69 6.312 -4.582 -3.490 1.00 0.00 C ATOM 1048 C ILE A 69 7.538 -5.390 -3.919 1.00 0.00 C ATOM 1049 O ILE A 69 8.479 -4.802 -4.434 1.00 0.00 O ATOM 1050 CB ILE A 69 6.249 -4.216 -1.990 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.298 -3.006 -1.834 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.637 -3.911 -1.417 1.00 0.00 C ATOM 1053 CD1 ILE A 69 5.007 -2.609 -0.382 1.00 0.00 C ATOM 0 H ILE A 69 4.488 -5.493 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 69 6.406 -3.634 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 69 5.870 -5.067 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.732 -2.150 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.355 -3.235 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.547 -3.659 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.277 -4.787 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.076 -3.071 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.333 -1.753 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.542 -3.446 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.939 -2.345 0.117 1.00 0.00 H new ATOM 1065 N LYS A 70 7.548 -6.714 -3.757 1.00 0.00 N ATOM 1066 CA LYS A 70 8.700 -7.538 -4.106 1.00 0.00 C ATOM 1067 C LYS A 70 8.816 -7.826 -5.601 1.00 0.00 C ATOM 1068 O LYS A 70 9.820 -8.418 -5.996 1.00 0.00 O ATOM 1069 CB LYS A 70 8.694 -8.837 -3.285 1.00 0.00 C ATOM 1070 CG LYS A 70 7.667 -9.869 -3.782 1.00 0.00 C ATOM 1071 CD LYS A 70 7.525 -11.098 -2.873 1.00 0.00 C ATOM 1072 CE LYS A 70 7.041 -10.718 -1.465 1.00 0.00 C ATOM 1073 NZ LYS A 70 6.777 -11.897 -0.622 1.00 0.00 N ATOM 0 H LYS A 70 6.760 -7.241 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 70 9.587 -6.958 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.689 -9.282 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.483 -8.598 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.695 -9.384 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.954 -10.200 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.823 -11.801 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.485 -11.609 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.792 -10.091 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.132 -10.122 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.669 -11.598 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.903 -12.363 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.572 -12.563 -0.698 1.00 0.00 H new ATOM 1087 N LYS A 71 7.836 -7.479 -6.448 1.00 0.00 N ATOM 1088 CA LYS A 71 7.936 -7.767 -7.875 1.00 0.00 C ATOM 1089 C LYS A 71 8.637 -6.648 -8.626 1.00 0.00 C ATOM 1090 O LYS A 71 8.893 -6.802 -9.824 1.00 0.00 O ATOM 1091 CB LYS A 71 6.611 -8.258 -8.457 1.00 0.00 C ATOM 1092 CG LYS A 71 5.599 -7.145 -8.704 1.00 0.00 C ATOM 1093 CD LYS A 71 4.737 -7.481 -9.913 1.00 0.00 C ATOM 1094 CE LYS A 71 3.757 -8.628 -9.618 1.00 0.00 C ATOM 1095 NZ LYS A 71 2.851 -8.870 -10.757 1.00 0.00 N ATOM 0 H LYS A 71 6.977 -7.005 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 71 8.597 -8.622 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.806 -8.774 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.174 -8.989 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.969 -7.013 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.118 -6.201 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.179 -6.596 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.378 -7.758 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.315 -9.537 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.172 -8.389 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.203 -9.650 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.301 -8.009 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.409 -9.122 -11.597 1.00 0.00 H new ATOM 1109 N ILE A 72 8.997 -5.546 -7.959 1.00 0.00 N ATOM 1110 CA ILE A 72 9.598 -4.364 -8.557 1.00 0.00 C ATOM 1111 C ILE A 72 11.113 -4.582 -8.778 1.00 0.00 C ATOM 1112 O ILE A 72 11.915 -3.717 -8.450 1.00 0.00 O ATOM 1113 CB ILE A 72 9.306 -3.095 -7.701 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.894 -3.048 -7.093 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.498 -1.836 -8.567 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.751 -1.942 -6.036 1.00 0.00 C ATOM 0 H ILE A 72 8.870 -5.456 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 72 9.145 -4.198 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 72 10.010 -3.134 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.164 -2.886 -7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.663 -4.012 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.294 -0.948 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.524 -1.799 -8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.812 -1.869 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.737 -1.949 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.461 -2.117 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.954 -0.973 -6.493 1.00 0.00 H new ATOM 1128 N GLU A 73 11.502 -5.748 -9.314 1.00 0.00 N ATOM 1129 CA GLU A 73 12.741 -6.125 -10.006 1.00 0.00 C ATOM 1130 C GLU A 73 14.011 -5.307 -9.716 1.00 0.00 C ATOM 1131 O GLU A 73 14.774 -4.953 -10.618 1.00 0.00 O ATOM 1132 CB GLU A 73 12.461 -6.311 -11.494 1.00 0.00 C ATOM 1133 CG GLU A 73 12.002 -5.024 -12.197 1.00 0.00 C ATOM 1134 CD GLU A 73 11.691 -5.307 -13.658 1.00 0.00 C ATOM 1135 OE1 GLU A 73 12.554 -5.057 -14.538 1.00 0.00 O ATOM 1136 OE2 GLU A 73 10.612 -5.854 -13.969 1.00 0.00 O ATOM 0 H GLU A 73 10.874 -6.550 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 73 13.029 -7.075 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.363 -6.680 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.695 -7.077 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.118 -4.625 -11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.779 -4.264 -12.124 1.00 0.00 H new ATOM 1144 N GLY A 74 14.233 -5.015 -8.448 1.00 0.00 N ATOM 1145 CA GLY A 74 15.062 -3.885 -8.060 1.00 0.00 C ATOM 1146 C GLY A 74 14.983 -3.706 -6.553 1.00 0.00 C ATOM 1147 O GLY A 74 15.964 -3.359 -5.918 1.00 0.00 O ATOM 0 H GLY A 74 13.850 -5.546 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.095 -4.054 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.724 -2.980 -8.565 1.00 0.00 H new ATOM 1151 N VAL A 75 13.800 -3.944 -6.006 1.00 0.00 N ATOM 1152 CA VAL A 75 13.384 -4.163 -4.626 1.00 0.00 C ATOM 1153 C VAL A 75 14.158 -5.258 -3.892 1.00 0.00 C ATOM 1154 O VAL A 75 13.675 -6.346 -3.571 1.00 0.00 O ATOM 1155 CB VAL A 75 11.878 -4.281 -4.583 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.446 -5.529 -5.348 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.410 -4.245 -3.128 1.00 0.00 C ATOM 0 H VAL A 75 12.984 -3.996 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 75 13.661 -3.291 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 75 11.398 -3.438 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.360 -5.616 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.776 -5.453 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.893 -6.410 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.324 -4.330 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.857 -5.076 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.715 -3.304 -2.671 1.00 0.00 H new ATOM 1167 N ASN A 76 15.433 -4.984 -3.748 1.00 0.00 N ATOM 1168 CA ASN A 76 16.414 -5.776 -3.048 1.00 0.00 C ATOM 1169 C ASN A 76 15.831 -6.386 -1.775 1.00 0.00 C ATOM 1170 O ASN A 76 15.781 -7.608 -1.634 1.00 0.00 O ATOM 1171 CB ASN A 76 17.524 -4.806 -2.689 1.00 0.00 C ATOM 1172 CG ASN A 76 18.514 -5.422 -1.704 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.768 -6.626 -1.716 1.00 0.00 O ATOM 1174 ND2 ASN A 76 19.024 -4.624 -0.795 1.00 0.00 N ATOM 0 H ASN A 76 15.841 -4.139 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 76 16.762 -6.606 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 76 18.051 -4.504 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.093 -3.904 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.645 -4.999 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.799 -3.629 -0.805 1.00 0.00 H new ATOM 1181 N ASN A 77 15.404 -5.522 -0.856 1.00 0.00 N ATOM 1182 CA ASN A 77 14.787 -5.889 0.404 1.00 0.00 C ATOM 1183 C ASN A 77 13.527 -5.075 0.640 1.00 0.00 C ATOM 1184 O ASN A 77 13.319 -4.022 0.032 1.00 0.00 O ATOM 1185 CB ASN A 77 15.759 -5.722 1.571 1.00 0.00 C ATOM 1186 CG ASN A 77 16.220 -4.307 1.829 1.00 0.00 C ATOM 1187 OD1 ASN A 77 16.921 -3.732 1.013 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.864 -3.732 2.965 1.00 0.00 N ATOM 0 H ASN A 77 15.484 -4.513 -0.979 1.00 0.00 H new ATOM 0 HA ASN A 77 14.515 -6.943 0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 77 15.284 -6.103 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.635 -6.344 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.176 -2.784 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.277 -4.236 3.630 1.00 0.00 H new ATOM 1195 N VAL A 78 12.694 -5.587 1.545 1.00 0.00 N ATOM 1196 CA VAL A 78 11.319 -5.175 1.741 1.00 0.00 C ATOM 1197 C VAL A 78 11.159 -4.857 3.226 1.00 0.00 C ATOM 1198 O VAL A 78 11.408 -5.716 4.069 1.00 0.00 O ATOM 1199 CB VAL A 78 10.375 -6.293 1.226 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.911 -5.899 1.409 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.610 -6.601 -0.264 1.00 0.00 C ATOM 0 H VAL A 78 12.977 -6.330 2.184 1.00 0.00 H new ATOM 0 HA VAL A 78 11.055 -4.282 1.175 1.00 0.00 H new ATOM 0 HB VAL A 78 10.600 -7.182 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.270 -6.700 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.709 -5.731 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.708 -4.985 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.929 -7.389 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.429 -5.703 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.639 -6.929 -0.410 1.00 0.00 H new ATOM 1211 N GLU A 79 10.801 -3.612 3.534 1.00 0.00 N ATOM 1212 CA GLU A 79 10.706 -3.038 4.873 1.00 0.00 C ATOM 1213 C GLU A 79 9.319 -2.386 4.997 1.00 0.00 C ATOM 1214 O GLU A 79 9.179 -1.168 5.084 1.00 0.00 O ATOM 1215 CB GLU A 79 11.856 -2.031 5.073 1.00 0.00 C ATOM 1216 CG GLU A 79 13.233 -2.651 5.372 1.00 0.00 C ATOM 1217 CD GLU A 79 13.636 -2.638 6.854 1.00 0.00 C ATOM 1218 OE1 GLU A 79 12.780 -2.799 7.754 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.824 -2.393 7.140 1.00 0.00 O ATOM 0 H GLU A 79 10.555 -2.937 2.810 1.00 0.00 H new ATOM 0 HA GLU A 79 10.806 -3.793 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.940 -1.418 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.592 -1.362 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.236 -3.682 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.990 -2.115 4.799 1.00 0.00 H new ATOM 1227 N VAL A 80 8.252 -3.177 4.918 1.00 0.00 N ATOM 1228 CA VAL A 80 6.896 -2.651 5.067 1.00 0.00 C ATOM 1229 C VAL A 80 6.589 -2.650 6.560 1.00 0.00 C ATOM 1230 O VAL A 80 6.391 -3.718 7.143 1.00 0.00 O ATOM 1231 CB VAL A 80 5.850 -3.419 4.219 1.00 0.00 C ATOM 1232 CG1 VAL A 80 5.193 -2.454 3.230 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.424 -4.556 3.364 1.00 0.00 C ATOM 0 H VAL A 80 8.299 -4.182 4.752 1.00 0.00 H new ATOM 0 HA VAL A 80 6.835 -1.636 4.674 1.00 0.00 H new ATOM 0 HB VAL A 80 5.162 -3.847 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.457 -2.991 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.700 -1.651 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.954 -2.031 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.619 -5.034 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.158 -4.152 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.904 -5.291 4.010 1.00 0.00 H new ATOM 1243 N GLU A 81 6.565 -1.478 7.190 1.00 0.00 N ATOM 1244 CA GLU A 81 6.097 -1.304 8.560 1.00 0.00 C ATOM 1245 C GLU A 81 4.562 -1.274 8.514 1.00 0.00 C ATOM 1246 O GLU A 81 3.977 -0.785 7.540 1.00 0.00 O ATOM 1247 CB GLU A 81 6.713 -0.004 9.120 1.00 0.00 C ATOM 1248 CG GLU A 81 6.258 0.409 10.532 1.00 0.00 C ATOM 1249 CD GLU A 81 6.345 -0.714 11.560 1.00 0.00 C ATOM 1250 OE1 GLU A 81 5.284 -1.281 11.909 1.00 0.00 O ATOM 1251 OE2 GLU A 81 7.456 -1.075 11.994 1.00 0.00 O ATOM 0 H GLU A 81 6.875 -0.609 6.755 1.00 0.00 H new ATOM 0 HA GLU A 81 6.402 -2.114 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.797 -0.114 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.480 0.810 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.869 1.246 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.229 0.765 10.482 1.00 0.00 H new ATOM 1259 N LEU A 82 3.888 -1.753 9.560 1.00 0.00 N ATOM 1260 CA LEU A 82 2.442 -1.763 9.709 1.00 0.00 C ATOM 1261 C LEU A 82 2.125 -1.073 11.031 1.00 0.00 C ATOM 1262 O LEU A 82 1.923 -1.712 12.067 1.00 0.00 O ATOM 1263 CB LEU A 82 1.908 -3.199 9.622 1.00 0.00 C ATOM 1264 CG LEU A 82 0.376 -3.292 9.678 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.321 -2.682 8.456 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.018 -4.767 9.756 1.00 0.00 C ATOM 0 H LEU A 82 4.364 -2.164 10.363 1.00 0.00 H new ATOM 0 HA LEU A 82 1.944 -1.222 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.257 -3.651 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.329 -3.784 10.440 1.00 0.00 H new ATOM 0 HG LEU A 82 0.057 -2.726 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.401 -2.784 8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.062 -1.626 8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.004 -3.202 7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.104 -4.852 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.354 -5.290 8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.414 -5.212 10.652 1.00 0.00 H new ATOM 1278 N THR A 83 2.081 0.252 10.963 1.00 0.00 N ATOM 1279 CA THR A 83 1.832 1.126 12.086 1.00 0.00 C ATOM 1280 C THR A 83 0.321 1.111 12.334 1.00 0.00 C ATOM 1281 O THR A 83 -0.445 1.608 11.506 1.00 0.00 O ATOM 1282 CB THR A 83 2.313 2.542 11.725 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.656 2.610 11.287 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.229 3.482 12.913 1.00 0.00 C ATOM 0 H THR A 83 2.224 0.759 10.089 1.00 0.00 H new ATOM 0 HA THR A 83 2.361 0.804 12.983 1.00 0.00 H new ATOM 0 HB THR A 83 1.646 2.832 10.913 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.885 3.539 11.076 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.577 4.472 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.195 3.547 13.253 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.854 3.103 13.722 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.140 0.539 13.442 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.566 0.380 13.728 1.00 0.00 C ATOM 1294 C PHE A 84 -2.108 1.445 14.672 1.00 0.00 C ATOM 1295 O PHE A 84 -3.327 1.579 14.796 1.00 0.00 O ATOM 1296 CB PHE A 84 -1.831 -1.032 14.268 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.641 -1.876 13.306 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -3.960 -1.504 12.977 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.055 -2.988 12.678 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.679 -2.221 12.004 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -2.786 -3.720 11.729 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.085 -3.326 11.372 1.00 0.00 C ATOM 0 H PHE A 84 0.468 0.170 14.173 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.105 0.515 12.790 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.880 -1.526 14.468 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.360 -0.961 15.219 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.421 -0.664 13.475 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.045 -3.279 12.925 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.684 -1.923 11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.346 -4.593 11.270 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.627 -3.871 10.613 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.227 2.201 15.323 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.603 3.275 16.224 1.00 0.00 C ATOM 1314 C ASP A 85 -2.428 4.348 15.511 1.00 0.00 C ATOM 1315 O ASP A 85 -3.482 4.712 16.044 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.421 3.946 16.945 1.00 0.00 C ATOM 1317 CG ASP A 85 0.946 3.286 16.808 1.00 0.00 C ATOM 1318 OD1 ASP A 85 1.137 2.163 17.325 1.00 0.00 O ATOM 1319 OD2 ASP A 85 1.888 3.935 16.308 1.00 0.00 O ATOM 0 H ASP A 85 -0.218 2.079 15.235 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.206 2.784 16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.340 4.970 16.579 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.662 4.005 18.006 1.00 0.00 H new ATOM 1325 N PRO A 86 -1.991 4.921 14.370 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.680 6.059 13.810 1.00 0.00 C ATOM 1327 C PRO A 86 -3.989 5.601 13.161 1.00 0.00 C ATOM 1328 O PRO A 86 -4.068 4.492 12.622 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.724 6.684 12.792 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.905 5.495 12.316 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.807 4.643 13.577 1.00 0.00 C ATOM 0 HA PRO A 86 -2.948 6.794 14.569 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.262 7.158 11.971 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.096 7.451 13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.397 4.962 11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.077 5.797 11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.752 3.584 13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.097 4.884 14.136 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.028 6.442 13.169 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.221 6.182 12.381 1.00 0.00 C ATOM 1341 C PRO A 87 -5.868 6.326 10.894 1.00 0.00 C ATOM 1342 O PRO A 87 -5.024 7.154 10.537 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.246 7.202 12.875 1.00 0.00 C ATOM 1344 CG PRO A 87 -6.421 8.354 13.454 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.082 7.726 13.844 1.00 0.00 C ATOM 0 HA PRO A 87 -6.627 5.177 12.491 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.884 7.545 12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.900 6.768 13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.285 9.149 12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.915 8.798 14.318 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.250 8.361 13.540 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.010 7.602 14.924 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.498 5.527 10.029 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.395 5.651 8.580 1.00 0.00 C ATOM 1355 C TRP A 88 -7.293 6.821 8.155 1.00 0.00 C ATOM 1356 O TRP A 88 -6.840 7.965 8.266 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.656 4.283 7.924 1.00 0.00 C ATOM 1358 CG TRP A 88 -7.113 4.290 6.499 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -6.417 4.694 5.411 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.437 3.927 6.014 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -7.219 4.576 4.291 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -8.481 4.128 4.608 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.617 3.491 6.647 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.643 3.897 3.859 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.789 3.257 5.908 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.802 3.458 4.516 1.00 0.00 C ATOM 0 H TRP A 88 -7.104 4.763 10.326 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.396 5.907 8.228 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.738 3.698 7.983 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.406 3.760 8.518 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -5.398 5.051 5.417 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.912 4.795 3.343 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.621 3.334 7.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.646 4.055 2.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.684 2.921 6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.705 3.274 3.953 1.00 0.00 H new ATOM 1377 N THR A 89 -8.525 6.571 7.688 1.00 0.00 N ATOM 1378 CA THR A 89 -9.683 7.459 7.530 1.00 0.00 C ATOM 1379 C THR A 89 -10.642 6.848 6.477 1.00 0.00 C ATOM 1380 O THR A 89 -10.264 6.766 5.312 1.00 0.00 O ATOM 1381 CB THR A 89 -9.271 8.908 7.193 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.904 9.624 8.355 1.00 0.00 O ATOM 1383 CG2 THR A 89 -10.355 9.758 6.563 1.00 0.00 C ATOM 0 H THR A 89 -8.759 5.629 7.375 1.00 0.00 H new ATOM 0 HA THR A 89 -10.209 7.532 8.482 1.00 0.00 H new ATOM 0 HB THR A 89 -8.454 8.762 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.058 9.272 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.965 10.757 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.677 9.302 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.204 9.828 7.243 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.905 6.507 6.789 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.863 5.972 5.806 1.00 0.00 C ATOM 1393 C PRO A 90 -13.309 6.969 4.731 1.00 0.00 C ATOM 1394 O PRO A 90 -13.865 6.560 3.711 1.00 0.00 O ATOM 1395 CB PRO A 90 -14.039 5.462 6.643 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.982 6.287 7.924 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.498 6.572 8.112 1.00 0.00 C ATOM 0 HA PRO A 90 -12.391 5.187 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.987 5.602 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.945 4.397 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.557 7.208 7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.394 5.738 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.343 7.553 8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.042 5.841 8.780 1.00 0.00 H new ATOM 1405 N GLU A 91 -13.010 8.255 4.902 1.00 0.00 N ATOM 1406 CA GLU A 91 -13.207 9.289 3.884 1.00 0.00 C ATOM 1407 C GLU A 91 -12.201 9.128 2.742 1.00 0.00 C ATOM 1408 O GLU A 91 -12.358 9.776 1.710 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.971 10.701 4.461 1.00 0.00 C ATOM 1410 CG GLU A 91 -13.525 10.954 5.857 1.00 0.00 C ATOM 1411 CD GLU A 91 -13.076 12.315 6.408 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -13.907 13.256 6.454 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -11.892 12.450 6.793 1.00 0.00 O ATOM 0 H GLU A 91 -12.615 8.617 5.770 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.233 9.177 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.898 10.890 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.412 11.429 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.614 10.914 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.194 10.162 6.529 1.00 0.00 H new ATOM 1421 N ARG A 92 -11.119 8.356 2.945 1.00 0.00 N ATOM 1422 CA ARG A 92 -9.954 8.467 2.073 1.00 0.00 C ATOM 1423 C ARG A 92 -10.276 7.971 0.666 1.00 0.00 C ATOM 1424 O ARG A 92 -9.692 8.462 -0.298 1.00 0.00 O ATOM 1425 CB ARG A 92 -8.764 7.633 2.587 1.00 0.00 C ATOM 1426 CG ARG A 92 -8.094 8.165 3.855 1.00 0.00 C ATOM 1427 CD ARG A 92 -6.747 8.850 3.623 1.00 0.00 C ATOM 1428 NE ARG A 92 -6.168 9.271 4.914 1.00 0.00 N ATOM 1429 CZ ARG A 92 -6.478 10.386 5.589 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -7.076 11.415 4.993 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -6.225 10.451 6.894 1.00 0.00 N ATOM 0 H ARG A 92 -11.034 7.665 3.690 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.688 9.524 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.109 6.616 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.015 7.573 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.768 8.873 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.951 7.337 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.066 8.168 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.877 9.715 2.973 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.468 8.657 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.308 11.365 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.302 12.253 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.799 9.656 7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.457 11.295 7.417 1.00 0.00 H new ATOM 1445 N MET A 93 -11.137 6.959 0.578 1.00 0.00 N ATOM 1446 CA MET A 93 -11.488 6.262 -0.646 1.00 0.00 C ATOM 1447 C MET A 93 -12.042 7.219 -1.702 1.00 0.00 C ATOM 1448 O MET A 93 -12.492 8.324 -1.386 1.00 0.00 O ATOM 1449 CB MET A 93 -12.518 5.169 -0.331 1.00 0.00 C ATOM 1450 CG MET A 93 -11.934 4.078 0.566 1.00 0.00 C ATOM 1451 SD MET A 93 -12.872 2.528 0.522 1.00 0.00 S ATOM 1452 CE MET A 93 -14.246 2.903 1.635 1.00 0.00 C ATOM 0 H MET A 93 -11.626 6.591 1.394 1.00 0.00 H new ATOM 0 HA MET A 93 -10.583 5.812 -1.055 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.384 5.616 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.871 4.724 -1.261 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.906 3.880 0.262 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.898 4.443 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.876 2.020 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.855 3.194 2.610 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.836 3.721 1.222 1.00 0.00 H new ATOM 1462 N SER A 94 -12.061 6.757 -2.956 1.00 0.00 N ATOM 1463 CA SER A 94 -12.695 7.450 -4.070 1.00 0.00 C ATOM 1464 C SER A 94 -14.124 7.858 -3.701 1.00 0.00 C ATOM 1465 O SER A 94 -14.794 7.131 -2.963 1.00 0.00 O ATOM 1466 CB SER A 94 -12.723 6.538 -5.293 1.00 0.00 C ATOM 1467 OG SER A 94 -11.527 5.779 -5.431 1.00 0.00 O ATOM 0 H SER A 94 -11.627 5.874 -3.225 1.00 0.00 H new ATOM 0 HA SER A 94 -12.120 8.348 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.574 5.860 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.873 7.140 -6.189 1.00 0.00 H new ATOM 0 HG SER A 94 -11.591 5.209 -6.226 1.00 0.00 H new ATOM 1473 N PRO A 95 -14.633 8.972 -4.240 1.00 0.00 N ATOM 1474 CA PRO A 95 -15.828 9.586 -3.697 1.00 0.00 C ATOM 1475 C PRO A 95 -17.094 8.796 -4.028 1.00 0.00 C ATOM 1476 O PRO A 95 -18.110 8.970 -3.362 1.00 0.00 O ATOM 1477 CB PRO A 95 -15.815 10.995 -4.277 1.00 0.00 C ATOM 1478 CG PRO A 95 -15.165 10.815 -5.644 1.00 0.00 C ATOM 1479 CD PRO A 95 -14.086 9.782 -5.320 1.00 0.00 C ATOM 0 HA PRO A 95 -15.834 9.604 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.822 11.402 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.246 11.681 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.871 10.453 -6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.744 11.745 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.855 9.169 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.158 10.266 -5.016 1.00 0.00 H new ATOM 1487 N GLU A 96 -17.040 7.901 -5.013 1.00 0.00 N ATOM 1488 CA GLU A 96 -18.124 6.970 -5.294 1.00 0.00 C ATOM 1489 C GLU A 96 -18.230 5.962 -4.142 1.00 0.00 C ATOM 1490 O GLU A 96 -19.312 5.735 -3.605 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.866 6.303 -6.656 1.00 0.00 C ATOM 1492 CG GLU A 96 -19.129 5.670 -7.260 1.00 0.00 C ATOM 1493 CD GLU A 96 -19.131 4.140 -7.224 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -19.244 3.550 -6.129 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -19.075 3.518 -8.318 1.00 0.00 O ATOM 0 H GLU A 96 -16.240 7.803 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.083 7.483 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -17.470 7.045 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -17.101 5.535 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.002 6.038 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -19.231 6.000 -8.294 1.00 0.00 H new ATOM 1503 N LEU A 97 -17.083 5.426 -3.697 1.00 0.00 N ATOM 1504 CA LEU A 97 -17.036 4.464 -2.604 1.00 0.00 C ATOM 1505 C LEU A 97 -17.455 5.084 -1.277 1.00 0.00 C ATOM 1506 O LEU A 97 -17.985 4.364 -0.437 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.647 3.838 -2.421 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.157 2.923 -3.556 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.908 2.200 -3.054 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.178 1.867 -3.984 1.00 0.00 C ATOM 0 H LEU A 97 -16.169 5.652 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.743 3.684 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.923 4.643 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.650 3.263 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.971 3.552 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.531 1.540 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.142 2.932 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.158 1.612 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.760 1.261 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.418 1.227 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.085 2.359 -4.335 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.232 6.384 -1.067 1.00 0.00 N ATOM 1523 CA ARG A 98 -17.669 7.059 0.153 1.00 0.00 C ATOM 1524 C ARG A 98 -19.184 6.916 0.293 1.00 0.00 C ATOM 1525 O ARG A 98 -19.661 6.396 1.302 1.00 0.00 O ATOM 1526 CB ARG A 98 -17.244 8.536 0.156 1.00 0.00 C ATOM 1527 CG ARG A 98 -15.721 8.736 0.253 1.00 0.00 C ATOM 1528 CD ARG A 98 -15.314 10.214 0.143 1.00 0.00 C ATOM 1529 NE ARG A 98 -15.891 11.022 1.225 1.00 0.00 N ATOM 1530 CZ ARG A 98 -15.331 12.027 1.900 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -14.113 12.477 1.599 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -16.011 12.556 2.907 1.00 0.00 N ATOM 0 H ARG A 98 -16.749 6.990 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.188 6.590 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.608 9.012 -0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.723 9.042 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.365 8.334 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.232 8.168 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.227 10.294 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.640 10.610 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.845 10.783 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.586 12.051 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.708 13.247 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.934 12.193 3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.611 13.326 3.444 1.00 0.00 H new ATOM 1546 N GLU A 99 -19.923 7.343 -0.730 1.00 0.00 N ATOM 1547 CA GLU A 99 -21.381 7.312 -0.718 1.00 0.00 C ATOM 1548 C GLU A 99 -21.885 5.863 -0.716 1.00 0.00 C ATOM 1549 O GLU A 99 -22.833 5.546 -0.002 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.941 8.125 -1.898 1.00 0.00 C ATOM 1551 CG GLU A 99 -21.459 9.584 -1.849 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.229 10.523 -2.785 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -23.430 10.791 -2.552 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -21.582 11.102 -3.694 1.00 0.00 O ATOM 0 H GLU A 99 -19.525 7.720 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.744 7.779 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.630 7.668 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -23.030 8.099 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.548 9.952 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.401 9.616 -2.108 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.217 4.959 -1.447 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.498 3.522 -1.431 1.00 0.00 C ATOM 1564 C LYS A 100 -21.435 2.958 -0.012 1.00 0.00 C ATOM 1565 O LYS A 100 -22.432 2.403 0.452 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.519 2.800 -2.363 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.638 1.262 -2.339 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.300 0.545 -2.096 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.007 -0.547 -3.119 1.00 0.00 C ATOM 1570 NZ LYS A 100 -18.757 -0.006 -4.468 1.00 0.00 N ATOM 0 H LYS A 100 -20.455 5.213 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.514 3.358 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -20.681 3.150 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.502 3.079 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.343 0.973 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.055 0.923 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.494 1.278 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.307 0.106 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.139 -1.120 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.849 -1.238 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.381 -0.479 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.949 1.016 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.765 -0.174 -4.731 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.278 3.045 0.651 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.103 2.487 1.988 1.00 0.00 C ATOM 1586 C PHE A 101 -21.094 3.102 2.971 1.00 0.00 C ATOM 1587 O PHE A 101 -21.609 2.384 3.830 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.658 2.673 2.480 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.742 1.531 2.086 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.492 1.248 0.730 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.179 0.709 3.079 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -16.722 0.127 0.367 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -16.398 -0.399 2.718 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.190 -0.705 1.366 1.00 0.00 C ATOM 0 H PHE A 101 -19.445 3.501 0.277 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.304 1.417 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -18.261 3.605 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.660 2.771 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -17.893 1.895 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -17.348 0.932 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -16.541 -0.092 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -15.956 -1.018 3.484 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.620 -1.581 1.092 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.370 4.397 2.811 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.238 5.148 3.695 1.00 0.00 C ATOM 1606 C GLY A 102 -21.381 5.862 4.728 1.00 0.00 C ATOM 1607 O GLY A 102 -21.614 5.705 5.930 1.00 0.00 O ATOM 0 H GLY A 102 -20.986 4.955 2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.824 5.870 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.945 4.480 4.187 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.368 6.604 4.271 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.702 7.607 5.097 1.00 0.00 C ATOM 1613 C VAL A 103 -20.773 8.607 5.528 1.00 0.00 C ATOM 1614 O VAL A 103 -21.676 8.895 4.711 1.00 0.00 O ATOM 1615 CB VAL A 103 -18.543 8.248 4.303 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -17.816 9.337 5.103 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.495 7.188 3.926 1.00 0.00 C ATOM 0 H VAL A 103 -19.992 6.525 3.326 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.247 7.178 5.990 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.997 8.691 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -17.010 9.755 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -18.520 10.127 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -17.400 8.904 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.686 7.659 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.094 6.735 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.961 6.418 3.311 1.00 0.00 H new TER 1627 VAL A 103