USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 30 CYS SG : rot -94:sc= 0.163 USER MOD Set 1.2: A 33 CYS SG : rot 74:sc= -1.72 USER MOD Set 2.1: A 4 GLN : amide:sc= 0.88 K(o=2,f=-0.47) USER MOD Set 2.2: A 6 LYS NZ :NH3+ -129:sc= -0.0901 (180deg=-1.91!) USER MOD Set 2.3: A 26 TYR OH : rot 64:sc= 1.16 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.364 (180deg=-0.384) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 7 THR OG1 : rot -75:sc= -0.0498 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0712 (180deg=-0.454) USER MOD Single : A 28 THR OG1 : rot -20:sc= -1.57! USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.286) USER MOD Single : A 35 MET CE :methyl 159:sc= -0.186 (180deg=-0.783) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -68:sc= 1.08 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -93:sc= 1.1 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= -2.11! (180deg=-2.9!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0329 (180deg=-0.238) USER MOD Single : A 67 ASN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 144:sc= -0.566 (180deg=-2.46!) USER MOD Single : A 74 THR OG1 : rot 110:sc= -4.1! USER MOD Single : A 79 LYS NZ :NH3+ 168:sc=-0.000676 (180deg=-0.21) USER MOD Single : A 80 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.66) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.21) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.96 K(o=-0.96,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.193 12.331 3.516 1.00 0.00 N ATOM 2 CA MET A 1 -2.579 12.317 4.052 1.00 0.00 C ATOM 3 C MET A 1 -3.150 10.901 4.101 1.00 0.00 C ATOM 4 O MET A 1 -4.156 10.661 4.764 1.00 0.00 O ATOM 5 CB MET A 1 -3.457 13.209 3.171 1.00 0.00 C ATOM 6 CG MET A 1 -3.551 12.741 1.728 1.00 0.00 C ATOM 7 SD MET A 1 -4.640 13.777 0.732 1.00 0.00 S ATOM 8 CE MET A 1 -4.515 12.969 -0.861 1.00 0.00 C ATOM 0 H1 MET A 1 -0.856 13.313 3.450 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.570 11.793 4.152 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.182 11.897 2.571 1.00 0.00 H new ATOM 0 HA MET A 1 -2.562 12.695 5.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.460 13.250 3.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.061 14.224 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.555 12.737 1.286 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.913 11.713 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.136 13.496 -1.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.477 12.981 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.856 11.937 -0.773 1.00 0.00 H new ATOM 20 N VAL A 2 -2.496 9.975 3.393 1.00 0.00 N ATOM 21 CA VAL A 2 -2.918 8.574 3.342 1.00 0.00 C ATOM 22 C VAL A 2 -4.395 8.432 2.964 1.00 0.00 C ATOM 23 O VAL A 2 -5.262 9.108 3.515 1.00 0.00 O ATOM 24 CB VAL A 2 -2.642 7.843 4.678 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.508 8.384 5.806 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.843 6.346 4.519 1.00 0.00 C ATOM 0 H VAL A 2 -1.662 10.176 2.841 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.321 8.104 2.561 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.602 8.030 4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.285 7.845 6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.301 9.445 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.560 8.250 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.644 5.849 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.870 6.147 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.159 5.966 3.761 1.00 0.00 H new ATOM 36 N THR A 3 -4.674 7.548 2.008 1.00 0.00 N ATOM 37 CA THR A 3 -6.043 7.325 1.552 1.00 0.00 C ATOM 38 C THR A 3 -6.235 5.888 1.066 1.00 0.00 C ATOM 39 O THR A 3 -5.268 5.184 0.784 1.00 0.00 O ATOM 40 CB THR A 3 -6.390 8.306 0.431 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.258 9.643 0.878 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.798 8.139 -0.101 1.00 0.00 C ATOM 0 H THR A 3 -3.973 6.977 1.536 1.00 0.00 H new ATOM 0 HA THR A 3 -6.712 7.492 2.396 1.00 0.00 H new ATOM 0 HB THR A 3 -5.688 8.084 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.482 10.256 0.147 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.976 8.866 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.919 7.132 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.513 8.299 0.706 1.00 0.00 H new ATOM 50 N GLN A 4 -7.493 5.465 0.972 1.00 0.00 N ATOM 51 CA GLN A 4 -7.825 4.116 0.521 1.00 0.00 C ATOM 52 C GLN A 4 -8.268 4.131 -0.940 1.00 0.00 C ATOM 53 O GLN A 4 -8.343 5.191 -1.561 1.00 0.00 O ATOM 54 CB GLN A 4 -8.950 3.540 1.380 1.00 0.00 C ATOM 55 CG GLN A 4 -8.668 3.595 2.872 1.00 0.00 C ATOM 56 CD GLN A 4 -9.827 3.082 3.705 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.244 1.932 3.568 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.354 3.937 4.574 1.00 0.00 N ATOM 0 H GLN A 4 -8.303 6.040 1.203 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.934 3.495 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.870 4.087 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.123 2.504 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.778 3.005 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.447 4.623 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.976 4.881 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.137 3.650 5.162 1.00 0.00 H new ATOM 67 N PHE A 5 -8.576 2.954 -1.482 1.00 0.00 N ATOM 68 CA PHE A 5 -9.026 2.853 -2.867 1.00 0.00 C ATOM 69 C PHE A 5 -10.260 1.966 -2.993 1.00 0.00 C ATOM 70 O PHE A 5 -10.151 0.743 -3.048 1.00 0.00 O ATOM 71 CB PHE A 5 -7.919 2.303 -3.768 1.00 0.00 C ATOM 72 CG PHE A 5 -6.751 3.229 -3.942 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.939 4.601 -4.018 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.466 2.723 -4.064 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.867 5.452 -4.209 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.392 3.572 -4.252 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.592 4.936 -4.326 1.00 0.00 C ATOM 0 H PHE A 5 -8.523 2.064 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.284 3.862 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.562 1.361 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.341 2.080 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.935 5.009 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.303 1.657 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.026 6.519 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.394 3.168 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.752 5.598 -4.475 1.00 0.00 H new ATOM 87 N LYS A 6 -11.433 2.591 -3.059 1.00 0.00 N ATOM 88 CA LYS A 6 -12.684 1.854 -3.203 1.00 0.00 C ATOM 89 C LYS A 6 -12.940 1.520 -4.670 1.00 0.00 C ATOM 90 O LYS A 6 -13.580 0.518 -4.987 1.00 0.00 O ATOM 91 CB LYS A 6 -13.854 2.659 -2.636 1.00 0.00 C ATOM 92 CG LYS A 6 -13.817 2.806 -1.124 1.00 0.00 C ATOM 93 CD LYS A 6 -13.903 1.454 -0.434 1.00 0.00 C ATOM 94 CE LYS A 6 -13.900 1.600 1.079 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.669 2.279 1.573 1.00 0.00 N ATOM 0 H LYS A 6 -11.543 3.604 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.598 0.924 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.855 3.650 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.788 2.177 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.897 3.310 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.644 3.436 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.811 0.940 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.062 0.833 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.777 2.168 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.979 0.615 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.241 1.712 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.991 2.380 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.915 3.220 1.941 1.00 0.00 H new ATOM 109 N THR A 7 -12.423 2.360 -5.561 1.00 0.00 N ATOM 110 CA THR A 7 -12.581 2.150 -6.994 1.00 0.00 C ATOM 111 C THR A 7 -11.217 2.089 -7.672 1.00 0.00 C ATOM 112 O THR A 7 -10.418 3.018 -7.564 1.00 0.00 O ATOM 113 CB THR A 7 -13.427 3.265 -7.612 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.828 4.529 -7.394 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.835 3.322 -7.061 1.00 0.00 C ATOM 0 H THR A 7 -11.890 3.194 -5.314 1.00 0.00 H new ATOM 0 HA THR A 7 -13.094 1.201 -7.148 1.00 0.00 H new ATOM 0 HB THR A 7 -13.479 3.032 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.968 4.801 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.381 4.134 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.342 2.377 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.798 3.496 -5.986 1.00 0.00 H new ATOM 123 N ALA A 8 -10.950 0.982 -8.360 1.00 0.00 N ATOM 124 CA ALA A 8 -9.673 0.795 -9.041 1.00 0.00 C ATOM 125 C ALA A 8 -9.334 1.979 -9.936 1.00 0.00 C ATOM 126 O ALA A 8 -8.163 2.260 -10.188 1.00 0.00 O ATOM 127 CB ALA A 8 -9.684 -0.497 -9.844 1.00 0.00 C ATOM 0 H ALA A 8 -11.600 0.202 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.897 0.729 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.724 -0.622 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.856 -1.340 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.480 -0.456 -10.588 1.00 0.00 H new ATOM 133 N SER A 9 -10.358 2.681 -10.401 1.00 0.00 N ATOM 134 CA SER A 9 -10.148 3.843 -11.251 1.00 0.00 C ATOM 135 C SER A 9 -9.305 4.889 -10.525 1.00 0.00 C ATOM 136 O SER A 9 -8.707 5.763 -11.152 1.00 0.00 O ATOM 137 CB SER A 9 -11.492 4.449 -11.663 1.00 0.00 C ATOM 138 OG SER A 9 -11.308 5.585 -12.488 1.00 0.00 O ATOM 0 H SER A 9 -11.336 2.468 -10.205 1.00 0.00 H new ATOM 0 HA SER A 9 -9.615 3.523 -12.147 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.084 3.703 -12.193 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.056 4.729 -10.773 1.00 0.00 H new ATOM 0 HG SER A 9 -12.181 5.952 -12.738 1.00 0.00 H new ATOM 144 N GLU A 10 -9.260 4.790 -9.196 1.00 0.00 N ATOM 145 CA GLU A 10 -8.492 5.720 -8.385 1.00 0.00 C ATOM 146 C GLU A 10 -7.071 5.219 -8.162 1.00 0.00 C ATOM 147 O GLU A 10 -6.136 6.007 -8.016 1.00 0.00 O ATOM 148 CB GLU A 10 -9.183 5.953 -7.040 1.00 0.00 C ATOM 149 CG GLU A 10 -10.560 6.586 -7.166 1.00 0.00 C ATOM 150 CD GLU A 10 -11.237 6.779 -5.823 1.00 0.00 C ATOM 151 OE1 GLU A 10 -10.677 7.503 -4.975 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.329 6.206 -5.620 1.00 0.00 O ATOM 0 H GLU A 10 -9.749 4.072 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.437 6.665 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.276 5.000 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.553 6.593 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.468 7.551 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.188 5.959 -7.799 1.00 0.00 H new ATOM 159 N PHE A 11 -6.925 3.903 -8.122 1.00 0.00 N ATOM 160 CA PHE A 11 -5.628 3.280 -7.901 1.00 0.00 C ATOM 161 C PHE A 11 -4.856 3.117 -9.213 1.00 0.00 C ATOM 162 O PHE A 11 -3.809 2.471 -9.249 1.00 0.00 O ATOM 163 CB PHE A 11 -5.816 1.916 -7.232 1.00 0.00 C ATOM 164 CG PHE A 11 -4.566 1.347 -6.609 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.371 2.054 -6.618 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.595 0.102 -6.003 1.00 0.00 C ATOM 167 CE1 PHE A 11 -2.235 1.527 -6.037 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.462 -0.428 -5.418 1.00 0.00 C ATOM 169 CZ PHE A 11 -2.281 0.285 -5.436 1.00 0.00 C ATOM 0 H PHE A 11 -7.693 3.243 -8.240 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.046 3.930 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.582 2.006 -6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.191 1.210 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.330 3.027 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.516 -0.462 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.311 2.086 -6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.500 -1.399 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.393 -0.128 -4.980 1.00 0.00 H new ATOM 179 N ASP A 12 -5.374 3.702 -10.292 1.00 0.00 N ATOM 180 CA ASP A 12 -4.725 3.611 -11.595 1.00 0.00 C ATOM 181 C ASP A 12 -3.700 4.729 -11.773 1.00 0.00 C ATOM 182 O ASP A 12 -2.512 4.472 -11.958 1.00 0.00 O ATOM 183 CB ASP A 12 -5.769 3.675 -12.712 1.00 0.00 C ATOM 184 CG ASP A 12 -5.151 3.558 -14.092 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.508 2.523 -14.369 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.309 4.500 -14.896 1.00 0.00 O ATOM 0 H ASP A 12 -6.239 4.242 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.204 2.655 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.494 2.873 -12.573 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.315 4.615 -12.641 1.00 0.00 H new ATOM 191 N SER A 13 -4.171 5.971 -11.716 1.00 0.00 N ATOM 192 CA SER A 13 -3.297 7.128 -11.871 1.00 0.00 C ATOM 193 C SER A 13 -2.323 7.248 -10.700 1.00 0.00 C ATOM 194 O SER A 13 -1.319 7.954 -10.788 1.00 0.00 O ATOM 195 CB SER A 13 -4.128 8.407 -11.989 1.00 0.00 C ATOM 196 OG SER A 13 -3.295 9.544 -12.140 1.00 0.00 O ATOM 0 H SER A 13 -5.153 6.202 -11.564 1.00 0.00 H new ATOM 0 HA SER A 13 -2.718 6.989 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.801 8.330 -12.843 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.750 8.523 -11.102 1.00 0.00 H new ATOM 0 HG SER A 13 -3.850 10.348 -12.215 1.00 0.00 H new ATOM 202 N ALA A 14 -2.627 6.559 -9.602 1.00 0.00 N ATOM 203 CA ALA A 14 -1.780 6.596 -8.417 1.00 0.00 C ATOM 204 C ALA A 14 -0.403 6.003 -8.699 1.00 0.00 C ATOM 205 O ALA A 14 0.609 6.500 -8.205 1.00 0.00 O ATOM 206 CB ALA A 14 -2.447 5.857 -7.268 1.00 0.00 C ATOM 0 H ALA A 14 -3.454 5.969 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.644 7.640 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.803 5.893 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.402 6.329 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.615 4.818 -7.552 1.00 0.00 H new ATOM 212 N ILE A 15 -0.369 4.936 -9.492 1.00 0.00 N ATOM 213 CA ILE A 15 0.889 4.278 -9.829 1.00 0.00 C ATOM 214 C ILE A 15 1.523 4.890 -11.074 1.00 0.00 C ATOM 215 O ILE A 15 2.704 5.232 -11.066 1.00 0.00 O ATOM 216 CB ILE A 15 0.703 2.757 -10.025 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.269 2.463 -11.172 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.215 2.116 -8.732 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.546 0.987 -11.367 1.00 0.00 C ATOM 0 H ILE A 15 -1.195 4.510 -9.912 1.00 0.00 H new ATOM 0 HA ILE A 15 1.561 4.435 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 15 1.669 2.326 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.210 2.979 -10.981 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.138 2.873 -12.096 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.088 1.044 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.947 2.287 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.739 2.558 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.242 0.854 -12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.386 0.468 -11.589 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.982 0.575 -10.457 1.00 0.00 H new ATOM 231 N ALA A 16 0.741 5.029 -12.140 1.00 0.00 N ATOM 232 CA ALA A 16 1.241 5.595 -13.391 1.00 0.00 C ATOM 233 C ALA A 16 2.053 6.865 -13.158 1.00 0.00 C ATOM 234 O ALA A 16 1.495 7.934 -12.903 1.00 0.00 O ATOM 235 CB ALA A 16 0.087 5.873 -14.342 1.00 0.00 C ATOM 0 H ALA A 16 -0.242 4.758 -12.164 1.00 0.00 H new ATOM 0 HA ALA A 16 1.907 4.859 -13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.474 6.294 -15.270 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.439 4.943 -14.557 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.602 6.581 -13.881 1.00 0.00 H new ATOM 241 N GLN A 17 3.377 6.738 -13.250 1.00 0.00 N ATOM 242 CA GLN A 17 4.281 7.869 -13.054 1.00 0.00 C ATOM 243 C GLN A 17 3.870 8.703 -11.847 1.00 0.00 C ATOM 244 O GLN A 17 3.123 9.675 -11.974 1.00 0.00 O ATOM 245 CB GLN A 17 4.320 8.745 -14.307 1.00 0.00 C ATOM 246 CG GLN A 17 4.937 8.050 -15.510 1.00 0.00 C ATOM 247 CD GLN A 17 4.964 8.932 -16.742 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.531 10.025 -16.726 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.354 8.457 -17.820 1.00 0.00 N ATOM 0 H GLN A 17 3.848 5.858 -13.460 1.00 0.00 H new ATOM 0 HA GLN A 17 5.278 7.469 -12.868 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.305 9.055 -14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.886 9.651 -14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.954 7.743 -15.265 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.374 7.143 -15.729 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.897 7.546 -17.787 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.342 9.003 -18.681 1.00 0.00 H new ATOM 258 N ASP A 18 4.361 8.318 -10.676 1.00 0.00 N ATOM 259 CA ASP A 18 4.044 9.029 -9.449 1.00 0.00 C ATOM 260 C ASP A 18 4.936 8.566 -8.302 1.00 0.00 C ATOM 261 O ASP A 18 4.476 8.411 -7.171 1.00 0.00 O ATOM 262 CB ASP A 18 2.570 8.829 -9.086 1.00 0.00 C ATOM 263 CG ASP A 18 2.162 9.616 -7.856 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.278 10.859 -7.882 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.727 8.989 -6.868 1.00 0.00 O ATOM 0 H ASP A 18 4.980 7.517 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 18 4.227 10.090 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.948 9.130 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.382 7.769 -8.914 1.00 0.00 H new ATOM 270 N LYS A 19 6.218 8.354 -8.596 1.00 0.00 N ATOM 271 CA LYS A 19 7.166 7.923 -7.582 1.00 0.00 C ATOM 272 C LYS A 19 6.792 6.537 -7.063 1.00 0.00 C ATOM 273 O LYS A 19 6.116 5.772 -7.750 1.00 0.00 O ATOM 274 CB LYS A 19 7.203 8.956 -6.451 1.00 0.00 C ATOM 275 CG LYS A 19 7.694 10.331 -6.887 1.00 0.00 C ATOM 276 CD LYS A 19 6.692 11.036 -7.789 1.00 0.00 C ATOM 277 CE LYS A 19 7.126 12.461 -8.094 1.00 0.00 C ATOM 278 NZ LYS A 19 7.245 13.282 -6.857 1.00 0.00 N ATOM 0 H LYS A 19 6.619 8.474 -9.526 1.00 0.00 H new ATOM 0 HA LYS A 19 8.163 7.851 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.203 9.055 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.849 8.586 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.883 10.944 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.643 10.227 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.584 10.480 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.713 11.047 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.084 12.445 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.406 12.923 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.222 14.291 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.453 13.065 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.143 13.063 -6.380 1.00 0.00 H new ATOM 292 N LEU A 20 7.239 6.218 -5.861 1.00 0.00 N ATOM 293 CA LEU A 20 6.958 4.922 -5.264 1.00 0.00 C ATOM 294 C LEU A 20 5.781 5.014 -4.302 1.00 0.00 C ATOM 295 O LEU A 20 5.843 5.699 -3.284 1.00 0.00 O ATOM 296 CB LEU A 20 8.203 4.400 -4.536 1.00 0.00 C ATOM 297 CG LEU A 20 7.979 3.179 -3.640 1.00 0.00 C ATOM 298 CD1 LEU A 20 9.292 2.456 -3.388 1.00 0.00 C ATOM 299 CD2 LEU A 20 7.354 3.597 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 7.799 6.839 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 20 6.693 4.224 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.959 4.149 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.611 5.206 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 20 7.297 2.500 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.114 1.591 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.714 2.126 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.991 3.132 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.202 2.717 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.017 4.295 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.395 4.079 -2.505 1.00 0.00 H new ATOM 311 N VAL A 21 4.706 4.313 -4.645 1.00 0.00 N ATOM 312 CA VAL A 21 3.500 4.304 -3.830 1.00 0.00 C ATOM 313 C VAL A 21 3.368 2.996 -3.058 1.00 0.00 C ATOM 314 O VAL A 21 3.431 1.911 -3.637 1.00 0.00 O ATOM 315 CB VAL A 21 2.242 4.500 -4.701 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.992 4.566 -3.837 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.376 5.750 -5.557 1.00 0.00 C ATOM 0 H VAL A 21 4.647 3.741 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 21 3.584 5.131 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 21 2.147 3.640 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.117 4.705 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.889 3.638 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.073 5.403 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.480 5.873 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.499 6.621 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.245 5.654 -6.208 1.00 0.00 H new ATOM 327 N VAL A 22 3.173 3.104 -1.747 1.00 0.00 N ATOM 328 CA VAL A 22 3.020 1.930 -0.899 1.00 0.00 C ATOM 329 C VAL A 22 1.557 1.728 -0.524 1.00 0.00 C ATOM 330 O VAL A 22 1.062 2.327 0.431 1.00 0.00 O ATOM 331 CB VAL A 22 3.863 2.045 0.386 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.717 0.793 1.244 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.323 2.299 0.041 1.00 0.00 C ATOM 0 H VAL A 22 3.117 3.993 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 22 3.374 1.071 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 22 3.495 2.892 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.321 0.897 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.671 0.662 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.055 -0.076 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.905 2.378 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.704 1.474 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.407 3.228 -0.523 1.00 0.00 H new ATOM 343 N VAL A 23 0.869 0.887 -1.286 1.00 0.00 N ATOM 344 CA VAL A 23 -0.539 0.612 -1.038 1.00 0.00 C ATOM 345 C VAL A 23 -0.720 -0.701 -0.288 1.00 0.00 C ATOM 346 O VAL A 23 -0.072 -1.701 -0.598 1.00 0.00 O ATOM 347 CB VAL A 23 -1.335 0.561 -2.354 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.821 0.391 -2.076 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.074 1.813 -3.181 1.00 0.00 C ATOM 0 H VAL A 23 1.264 0.384 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.921 1.427 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.000 -0.303 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.366 0.357 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.985 -0.537 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.178 1.231 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.644 1.762 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.380 2.693 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.011 1.881 -3.412 1.00 0.00 H new ATOM 359 N ASP A 24 -1.603 -0.688 0.703 1.00 0.00 N ATOM 360 CA ASP A 24 -1.871 -1.875 1.504 1.00 0.00 C ATOM 361 C ASP A 24 -3.150 -2.567 1.038 1.00 0.00 C ATOM 362 O ASP A 24 -4.197 -1.938 0.920 1.00 0.00 O ATOM 363 CB ASP A 24 -1.991 -1.496 2.982 1.00 0.00 C ATOM 364 CG ASP A 24 -2.199 -2.701 3.879 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.293 -3.557 3.944 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.268 -2.789 4.516 1.00 0.00 O ATOM 0 H ASP A 24 -2.146 0.133 0.971 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.039 -2.568 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.089 -0.968 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.824 -0.805 3.109 1.00 0.00 H new ATOM 371 N PHE A 25 -3.058 -3.867 0.774 1.00 0.00 N ATOM 372 CA PHE A 25 -4.197 -4.637 0.320 1.00 0.00 C ATOM 373 C PHE A 25 -4.828 -5.399 1.479 1.00 0.00 C ATOM 374 O PHE A 25 -5.098 -6.596 1.379 1.00 0.00 O ATOM 375 CB PHE A 25 -3.747 -5.617 -0.758 1.00 0.00 C ATOM 376 CG PHE A 25 -3.455 -4.990 -2.091 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.542 -3.951 -2.218 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.072 -5.476 -3.227 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.258 -3.410 -3.459 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.796 -4.937 -4.466 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.887 -3.903 -4.584 1.00 0.00 C ATOM 0 H PHE A 25 -2.198 -4.406 0.869 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.942 -3.955 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.852 -6.133 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.521 -6.373 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.049 -3.562 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.779 -6.288 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.545 -2.603 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.291 -5.323 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.669 -3.482 -5.554 1.00 0.00 H new ATOM 391 N TYR A 26 -5.067 -4.691 2.578 1.00 0.00 N ATOM 392 CA TYR A 26 -5.674 -5.294 3.757 1.00 0.00 C ATOM 393 C TYR A 26 -6.954 -6.040 3.389 1.00 0.00 C ATOM 394 O TYR A 26 -7.759 -5.555 2.599 1.00 0.00 O ATOM 395 CB TYR A 26 -5.958 -4.219 4.813 1.00 0.00 C ATOM 396 CG TYR A 26 -6.612 -2.963 4.266 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.819 -3.020 3.579 1.00 0.00 C ATOM 398 CD2 TYR A 26 -6.020 -1.715 4.437 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.413 -1.876 3.084 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.608 -0.574 3.951 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.806 -0.654 3.275 1.00 0.00 C ATOM 402 OH TYR A 26 -8.393 0.488 2.783 1.00 0.00 O ATOM 0 H TYR A 26 -4.849 -3.699 2.676 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.973 -6.017 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.602 -4.644 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.021 -3.945 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.300 -3.975 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.079 -1.643 4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.349 -1.939 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.133 0.385 4.098 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.255 0.630 3.227 1.00 0.00 H new ATOM 412 N ALA A 27 -7.134 -7.229 3.954 1.00 0.00 N ATOM 413 CA ALA A 27 -8.317 -8.032 3.665 1.00 0.00 C ATOM 414 C ALA A 27 -9.589 -7.277 4.018 1.00 0.00 C ATOM 415 O ALA A 27 -9.553 -6.273 4.731 1.00 0.00 O ATOM 416 CB ALA A 27 -8.268 -9.353 4.415 1.00 0.00 C ATOM 0 H ALA A 27 -6.481 -7.656 4.611 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.325 -8.238 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.160 -9.936 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.382 -9.911 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.227 -9.161 5.487 1.00 0.00 H new ATOM 422 N THR A 28 -10.715 -7.770 3.521 1.00 0.00 N ATOM 423 CA THR A 28 -12.000 -7.145 3.790 1.00 0.00 C ATOM 424 C THR A 28 -12.736 -7.866 4.919 1.00 0.00 C ATOM 425 O THR A 28 -13.955 -7.750 5.050 1.00 0.00 O ATOM 426 CB THR A 28 -12.869 -7.144 2.534 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.172 -6.670 2.832 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.012 -8.512 1.901 1.00 0.00 C ATOM 0 H THR A 28 -10.763 -8.600 2.930 1.00 0.00 H new ATOM 0 HA THR A 28 -11.810 -6.117 4.097 1.00 0.00 H new ATOM 0 HB THR A 28 -12.358 -6.489 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.338 -6.753 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.641 -8.439 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.028 -8.887 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.469 -9.197 2.615 1.00 0.00 H new ATOM 436 N TRP A 29 -11.994 -8.630 5.715 1.00 0.00 N ATOM 437 CA TRP A 29 -12.583 -9.390 6.811 1.00 0.00 C ATOM 438 C TRP A 29 -11.691 -9.406 8.051 1.00 0.00 C ATOM 439 O TRP A 29 -12.189 -9.347 9.176 1.00 0.00 O ATOM 440 CB TRP A 29 -12.840 -10.823 6.352 1.00 0.00 C ATOM 441 CG TRP A 29 -11.708 -11.386 5.551 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.488 -11.208 4.215 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.619 -12.177 6.035 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.343 -11.864 3.834 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.789 -12.462 4.934 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.268 -12.680 7.291 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.631 -13.224 5.050 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.116 -13.435 7.407 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.310 -13.700 6.292 1.00 0.00 C ATOM 0 H TRP A 29 -10.984 -8.739 5.621 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.518 -8.902 7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.011 -11.454 7.224 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.751 -10.851 5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.122 -10.635 3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.967 -11.900 2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.885 -12.482 8.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.009 -13.432 4.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.833 -13.827 8.373 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.416 -14.293 6.416 1.00 0.00 H new ATOM 460 N CYS A 30 -10.377 -9.510 7.845 1.00 0.00 N ATOM 461 CA CYS A 30 -9.417 -9.559 8.952 1.00 0.00 C ATOM 462 C CYS A 30 -9.835 -8.648 10.107 1.00 0.00 C ATOM 463 O CYS A 30 -10.205 -9.122 11.181 1.00 0.00 O ATOM 464 CB CYS A 30 -8.019 -9.162 8.475 1.00 0.00 C ATOM 465 SG CYS A 30 -6.736 -9.370 9.731 1.00 0.00 S ATOM 0 H CYS A 30 -9.951 -9.562 6.920 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.401 -10.587 9.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.760 -9.760 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.036 -8.120 8.155 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.561 -8.247 10.363 1.00 0.00 H new ATOM 471 N GLY A 31 -9.773 -7.341 9.876 1.00 0.00 N ATOM 472 CA GLY A 31 -10.147 -6.388 10.905 1.00 0.00 C ATOM 473 C GLY A 31 -8.969 -5.561 11.387 1.00 0.00 C ATOM 474 O GLY A 31 -8.855 -4.383 11.044 1.00 0.00 O ATOM 0 H GLY A 31 -9.471 -6.925 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.919 -5.723 10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.582 -6.922 11.750 1.00 0.00 H new ATOM 478 N PRO A 32 -8.068 -6.154 12.189 1.00 0.00 N ATOM 479 CA PRO A 32 -6.891 -5.452 12.713 1.00 0.00 C ATOM 480 C PRO A 32 -6.130 -4.699 11.625 1.00 0.00 C ATOM 481 O PRO A 32 -5.462 -3.702 11.899 1.00 0.00 O ATOM 482 CB PRO A 32 -6.035 -6.581 13.284 1.00 0.00 C ATOM 483 CG PRO A 32 -7.011 -7.643 13.654 1.00 0.00 C ATOM 484 CD PRO A 32 -8.126 -7.556 12.648 1.00 0.00 C ATOM 0 HA PRO A 32 -7.161 -4.691 13.445 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.315 -6.943 12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.465 -6.247 14.151 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.543 -8.627 13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.387 -7.491 14.666 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.979 -8.254 11.824 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.091 -7.792 13.097 1.00 0.00 H new ATOM 492 N CYS A 33 -6.239 -5.182 10.391 1.00 0.00 N ATOM 493 CA CYS A 33 -5.563 -4.553 9.262 1.00 0.00 C ATOM 494 C CYS A 33 -5.990 -3.095 9.105 1.00 0.00 C ATOM 495 O CYS A 33 -5.286 -2.296 8.488 1.00 0.00 O ATOM 496 CB CYS A 33 -5.860 -5.320 7.972 1.00 0.00 C ATOM 497 SG CYS A 33 -5.231 -7.012 7.962 1.00 0.00 S ATOM 0 H CYS A 33 -6.789 -6.006 10.148 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.491 -4.578 9.459 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.938 -5.343 7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.428 -4.778 7.131 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.976 -7.756 8.725 1.00 0.00 H new ATOM 503 N LYS A 34 -7.151 -2.752 9.662 1.00 0.00 N ATOM 504 CA LYS A 34 -7.666 -1.390 9.576 1.00 0.00 C ATOM 505 C LYS A 34 -6.916 -0.453 10.521 1.00 0.00 C ATOM 506 O LYS A 34 -6.935 0.765 10.342 1.00 0.00 O ATOM 507 CB LYS A 34 -9.163 -1.364 9.890 1.00 0.00 C ATOM 508 CG LYS A 34 -9.780 0.021 9.805 1.00 0.00 C ATOM 509 CD LYS A 34 -9.624 0.616 8.415 1.00 0.00 C ATOM 510 CE LYS A 34 -10.237 2.004 8.330 1.00 0.00 C ATOM 511 NZ LYS A 34 -9.606 2.950 9.293 1.00 0.00 N ATOM 0 H LYS A 34 -7.750 -3.398 10.176 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.511 -1.039 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.682 -2.027 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.322 -1.762 10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.838 -0.034 10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.308 0.676 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.566 0.668 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.099 -0.038 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.125 2.389 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.307 1.941 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.874 3.925 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.931 2.733 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.571 2.854 9.247 1.00 0.00 H new ATOM 525 N MET A 35 -6.242 -1.027 11.514 1.00 0.00 N ATOM 526 CA MET A 35 -5.471 -0.236 12.469 1.00 0.00 C ATOM 527 C MET A 35 -4.170 0.259 11.835 1.00 0.00 C ATOM 528 O MET A 35 -3.341 0.881 12.499 1.00 0.00 O ATOM 529 CB MET A 35 -5.158 -1.068 13.711 1.00 0.00 C ATOM 530 CG MET A 35 -6.397 -1.552 14.448 1.00 0.00 C ATOM 531 SD MET A 35 -5.999 -2.522 15.916 1.00 0.00 S ATOM 532 CE MET A 35 -5.071 -1.324 16.872 1.00 0.00 C ATOM 0 H MET A 35 -6.214 -2.033 11.678 1.00 0.00 H new ATOM 0 HA MET A 35 -6.069 0.628 12.758 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.559 -1.931 13.419 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.549 -0.474 14.392 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.001 -0.692 14.738 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.004 -2.155 13.773 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.074 -1.615 17.922 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.044 -1.286 16.509 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.530 -0.341 16.767 1.00 0.00 H new ATOM 542 N ILE A 36 -4.002 -0.032 10.548 1.00 0.00 N ATOM 543 CA ILE A 36 -2.816 0.367 9.805 1.00 0.00 C ATOM 544 C ILE A 36 -2.954 1.785 9.249 1.00 0.00 C ATOM 545 O ILE A 36 -1.963 2.418 8.887 1.00 0.00 O ATOM 546 CB ILE A 36 -2.565 -0.607 8.644 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.522 -2.045 9.158 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.275 -0.258 7.931 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.383 -3.067 8.054 1.00 0.00 C ATOM 0 H ILE A 36 -4.684 -0.550 9.994 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.974 0.345 10.496 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.386 -0.519 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.687 -2.152 9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.432 -2.250 9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.112 -0.957 7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.341 0.756 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.443 -0.321 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.358 -4.068 8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.231 -2.986 7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.459 -2.886 7.505 1.00 0.00 H new ATOM 561 N ALA A 37 -4.187 2.278 9.189 1.00 0.00 N ATOM 562 CA ALA A 37 -4.457 3.620 8.685 1.00 0.00 C ATOM 563 C ALA A 37 -3.571 4.675 9.351 1.00 0.00 C ATOM 564 O ALA A 37 -3.060 5.568 8.675 1.00 0.00 O ATOM 565 CB ALA A 37 -5.924 3.969 8.881 1.00 0.00 C ATOM 0 H ALA A 37 -5.018 1.766 9.484 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.222 3.621 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.113 4.973 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.544 3.254 8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.168 3.931 9.943 1.00 0.00 H new ATOM 571 N PRO A 38 -3.365 4.600 10.683 1.00 0.00 N ATOM 572 CA PRO A 38 -2.528 5.572 11.384 1.00 0.00 C ATOM 573 C PRO A 38 -1.065 5.418 11.003 1.00 0.00 C ATOM 574 O PRO A 38 -0.377 6.404 10.739 1.00 0.00 O ATOM 575 CB PRO A 38 -2.750 5.258 12.866 1.00 0.00 C ATOM 576 CG PRO A 38 -3.223 3.845 12.905 1.00 0.00 C ATOM 577 CD PRO A 38 -3.914 3.577 11.594 1.00 0.00 C ATOM 0 HA PRO A 38 -2.788 6.600 11.132 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.829 5.380 13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.487 5.931 13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.386 3.162 13.047 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.906 3.690 13.740 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.707 2.569 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.996 3.666 11.688 1.00 0.00 H new ATOM 585 N MET A 39 -0.599 4.174 10.942 1.00 0.00 N ATOM 586 CA MET A 39 0.762 3.895 10.560 1.00 0.00 C ATOM 587 C MET A 39 1.013 4.397 9.146 1.00 0.00 C ATOM 588 O MET A 39 1.839 5.279 8.928 1.00 0.00 O ATOM 589 CB MET A 39 1.010 2.397 10.647 1.00 0.00 C ATOM 590 CG MET A 39 1.069 1.874 12.071 1.00 0.00 C ATOM 591 SD MET A 39 2.444 2.569 13.008 1.00 0.00 S ATOM 592 CE MET A 39 2.223 1.754 14.587 1.00 0.00 C ATOM 0 H MET A 39 -1.155 3.346 11.155 1.00 0.00 H new ATOM 0 HA MET A 39 1.447 4.408 11.235 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.219 1.874 10.109 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.948 2.162 10.143 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.133 2.107 12.579 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.159 0.788 12.052 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.000 2.082 15.277 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.245 2.009 14.994 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.289 0.674 14.452 1.00 0.00 H new ATOM 602 N ILE A 40 0.269 3.847 8.189 1.00 0.00 N ATOM 603 CA ILE A 40 0.389 4.252 6.792 1.00 0.00 C ATOM 604 C ILE A 40 0.474 5.775 6.672 1.00 0.00 C ATOM 605 O ILE A 40 1.083 6.304 5.741 1.00 0.00 O ATOM 606 CB ILE A 40 -0.807 3.736 5.955 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.842 2.209 5.961 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.734 4.255 4.524 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.963 1.622 5.123 1.00 0.00 C ATOM 0 H ILE A 40 -0.425 3.118 8.357 1.00 0.00 H new ATOM 0 HA ILE A 40 1.307 3.810 6.404 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.724 4.111 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.112 1.831 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.947 1.861 6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.585 3.879 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.756 5.345 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.191 3.913 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.925 0.534 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.923 1.970 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.847 1.940 4.087 1.00 0.00 H new ATOM 621 N GLU A 41 -0.141 6.469 7.624 1.00 0.00 N ATOM 622 CA GLU A 41 -0.143 7.925 7.640 1.00 0.00 C ATOM 623 C GLU A 41 1.154 8.463 8.240 1.00 0.00 C ATOM 624 O GLU A 41 1.685 9.477 7.791 1.00 0.00 O ATOM 625 CB GLU A 41 -1.343 8.425 8.445 1.00 0.00 C ATOM 626 CG GLU A 41 -1.552 9.934 8.389 1.00 0.00 C ATOM 627 CD GLU A 41 -0.449 10.713 9.082 1.00 0.00 C ATOM 628 OE1 GLU A 41 -0.253 10.510 10.298 1.00 0.00 O ATOM 629 OE2 GLU A 41 0.217 11.526 8.408 1.00 0.00 O ATOM 0 H GLU A 41 -0.648 6.041 8.399 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.217 8.287 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.243 7.932 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.218 8.126 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.611 10.248 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.508 10.180 8.851 1.00 0.00 H new ATOM 636 N LYS A 42 1.654 7.780 9.265 1.00 0.00 N ATOM 637 CA LYS A 42 2.884 8.192 9.934 1.00 0.00 C ATOM 638 C LYS A 42 4.109 7.943 9.058 1.00 0.00 C ATOM 639 O LYS A 42 5.097 8.673 9.146 1.00 0.00 O ATOM 640 CB LYS A 42 3.039 7.457 11.266 1.00 0.00 C ATOM 641 CG LYS A 42 1.990 7.825 12.292 1.00 0.00 C ATOM 642 CD LYS A 42 2.186 7.042 13.577 1.00 0.00 C ATOM 643 CE LYS A 42 1.135 7.406 14.604 1.00 0.00 C ATOM 644 NZ LYS A 42 1.305 6.646 15.873 1.00 0.00 N ATOM 0 H LYS A 42 1.226 6.938 9.651 1.00 0.00 H new ATOM 0 HA LYS A 42 2.813 9.264 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.996 6.383 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.026 7.672 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.041 8.893 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.997 7.626 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.138 5.974 13.366 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.178 7.243 13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.187 8.475 14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.144 7.209 14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.565 6.926 16.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.230 5.627 15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.240 6.853 16.279 1.00 0.00 H new ATOM 658 N PHE A 43 4.051 6.912 8.219 1.00 0.00 N ATOM 659 CA PHE A 43 5.175 6.592 7.346 1.00 0.00 C ATOM 660 C PHE A 43 5.298 7.597 6.210 1.00 0.00 C ATOM 661 O PHE A 43 6.389 7.825 5.688 1.00 0.00 O ATOM 662 CB PHE A 43 5.057 5.175 6.781 1.00 0.00 C ATOM 663 CG PHE A 43 5.266 4.097 7.804 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.365 3.921 8.839 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.371 3.262 7.731 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.557 2.931 9.784 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.568 2.270 8.673 1.00 0.00 C ATOM 668 CZ PHE A 43 5.660 2.104 9.700 1.00 0.00 C ATOM 0 H PHE A 43 3.247 6.291 8.126 1.00 0.00 H new ATOM 0 HA PHE A 43 6.077 6.647 7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.070 5.053 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.787 5.051 5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.501 4.565 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.085 3.388 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.846 2.804 10.587 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.432 1.625 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.812 1.329 10.436 1.00 0.00 H new ATOM 678 N SER A 44 4.179 8.203 5.835 1.00 0.00 N ATOM 679 CA SER A 44 4.177 9.192 4.763 1.00 0.00 C ATOM 680 C SER A 44 4.947 10.450 5.171 1.00 0.00 C ATOM 681 O SER A 44 5.206 11.321 4.342 1.00 0.00 O ATOM 682 CB SER A 44 2.744 9.561 4.377 1.00 0.00 C ATOM 683 OG SER A 44 2.057 10.146 5.469 1.00 0.00 O ATOM 0 H SER A 44 3.265 8.029 6.254 1.00 0.00 H new ATOM 0 HA SER A 44 4.675 8.749 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.758 10.256 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.212 8.669 4.044 1.00 0.00 H new ATOM 0 HG SER A 44 1.911 9.470 6.164 1.00 0.00 H new ATOM 689 N GLU A 45 5.309 10.540 6.451 1.00 0.00 N ATOM 690 CA GLU A 45 6.046 11.694 6.956 1.00 0.00 C ATOM 691 C GLU A 45 7.550 11.507 6.784 1.00 0.00 C ATOM 692 O GLU A 45 8.298 12.479 6.681 1.00 0.00 O ATOM 693 CB GLU A 45 5.717 11.928 8.431 1.00 0.00 C ATOM 694 CG GLU A 45 4.244 12.197 8.693 1.00 0.00 C ATOM 695 CD GLU A 45 3.945 12.425 10.161 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.208 11.511 10.970 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.446 13.519 10.502 1.00 0.00 O ATOM 0 H GLU A 45 5.104 9.829 7.153 1.00 0.00 H new ATOM 0 HA GLU A 45 5.741 12.565 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.026 11.055 9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.302 12.773 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.931 13.071 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.655 11.354 8.333 1.00 0.00 H new ATOM 704 N GLN A 46 7.990 10.251 6.755 1.00 0.00 N ATOM 705 CA GLN A 46 9.409 9.940 6.597 1.00 0.00 C ATOM 706 C GLN A 46 9.788 9.787 5.128 1.00 0.00 C ATOM 707 O GLN A 46 10.910 10.100 4.732 1.00 0.00 O ATOM 708 CB GLN A 46 9.756 8.665 7.360 1.00 0.00 C ATOM 709 CG GLN A 46 9.515 8.780 8.852 1.00 0.00 C ATOM 710 CD GLN A 46 9.863 7.508 9.602 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.007 7.053 9.576 1.00 0.00 O ATOM 712 NE2 GLN A 46 8.876 6.927 10.273 1.00 0.00 N ATOM 0 H GLN A 46 7.386 9.433 6.839 1.00 0.00 H new ATOM 0 HA GLN A 46 9.980 10.774 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.163 7.840 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.803 8.418 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.107 9.604 9.249 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.468 9.026 9.029 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.943 7.339 10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.050 6.068 10.795 1.00 0.00 H new ATOM 721 N TYR A 47 8.846 9.306 4.321 1.00 0.00 N ATOM 722 CA TYR A 47 9.091 9.116 2.897 1.00 0.00 C ATOM 723 C TYR A 47 8.082 9.891 2.049 1.00 0.00 C ATOM 724 O TYR A 47 7.530 9.356 1.089 1.00 0.00 O ATOM 725 CB TYR A 47 9.027 7.629 2.557 1.00 0.00 C ATOM 726 CG TYR A 47 10.016 6.793 3.332 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.378 6.862 3.065 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.586 5.937 4.335 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.283 6.097 3.777 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.485 5.168 5.052 1.00 0.00 C ATOM 731 CZ TYR A 47 11.833 5.250 4.767 1.00 0.00 C ATOM 732 OH TYR A 47 12.734 4.489 5.478 1.00 0.00 O ATOM 0 H TYR A 47 7.910 9.042 4.629 1.00 0.00 H new ATOM 0 HA TYR A 47 10.085 9.501 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.020 7.262 2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.211 7.500 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.735 7.523 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.532 5.870 4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.339 6.163 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.134 4.507 5.831 1.00 0.00 H new ATOM 0 HH TYR A 47 12.833 3.613 5.049 1.00 0.00 H new ATOM 742 N PRO A 48 7.817 11.163 2.402 1.00 0.00 N ATOM 743 CA PRO A 48 6.866 12.016 1.683 1.00 0.00 C ATOM 744 C PRO A 48 6.892 11.815 0.171 1.00 0.00 C ATOM 745 O PRO A 48 5.869 11.948 -0.500 1.00 0.00 O ATOM 746 CB PRO A 48 7.339 13.419 2.046 1.00 0.00 C ATOM 747 CG PRO A 48 7.905 13.286 3.420 1.00 0.00 C ATOM 748 CD PRO A 48 8.414 11.869 3.550 1.00 0.00 C ATOM 0 HA PRO A 48 5.835 11.798 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.090 13.778 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.515 14.132 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.712 14.002 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.144 13.494 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.503 11.833 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.108 11.421 4.496 1.00 0.00 H new ATOM 756 N GLN A 49 8.063 11.495 -0.354 1.00 0.00 N ATOM 757 CA GLN A 49 8.224 11.272 -1.788 1.00 0.00 C ATOM 758 C GLN A 49 7.346 10.116 -2.253 1.00 0.00 C ATOM 759 O GLN A 49 6.812 10.131 -3.363 1.00 0.00 O ATOM 760 CB GLN A 49 9.688 10.988 -2.125 1.00 0.00 C ATOM 761 CG GLN A 49 10.632 12.117 -1.740 1.00 0.00 C ATOM 762 CD GLN A 49 12.092 11.836 -2.078 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.374 10.670 -2.658 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 12.962 12.665 -1.817 1.00 0.00 N flip ATOM 0 H GLN A 49 8.919 11.383 0.189 1.00 0.00 H new ATOM 0 HA GLN A 49 7.914 12.177 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.999 10.076 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.776 10.801 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.320 13.029 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.545 12.303 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.709 13.547 -1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.937 12.470 -2.045 1.00 0.00 H new ATOM 773 N ALA A 50 7.199 9.119 -1.390 1.00 0.00 N ATOM 774 CA ALA A 50 6.383 7.951 -1.691 1.00 0.00 C ATOM 775 C ALA A 50 4.943 8.176 -1.247 1.00 0.00 C ATOM 776 O ALA A 50 4.696 8.719 -0.171 1.00 0.00 O ATOM 777 CB ALA A 50 6.958 6.722 -1.006 1.00 0.00 C ATOM 0 H ALA A 50 7.638 9.097 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 50 6.390 7.791 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.340 5.854 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.974 6.550 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.972 6.880 0.072 1.00 0.00 H new ATOM 783 N ASP A 51 3.994 7.753 -2.074 1.00 0.00 N ATOM 784 CA ASP A 51 2.582 7.910 -1.749 1.00 0.00 C ATOM 785 C ASP A 51 2.075 6.698 -0.980 1.00 0.00 C ATOM 786 O ASP A 51 2.170 5.565 -1.452 1.00 0.00 O ATOM 787 CB ASP A 51 1.756 8.105 -3.022 1.00 0.00 C ATOM 788 CG ASP A 51 2.177 9.337 -3.801 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.353 9.403 -4.216 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.330 10.232 -3.999 1.00 0.00 O ATOM 0 H ASP A 51 4.175 7.301 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 51 2.473 8.795 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.858 7.225 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.702 8.188 -2.759 1.00 0.00 H new ATOM 795 N PHE A 52 1.550 6.940 0.214 1.00 0.00 N ATOM 796 CA PHE A 52 1.044 5.863 1.054 1.00 0.00 C ATOM 797 C PHE A 52 -0.471 5.740 0.955 1.00 0.00 C ATOM 798 O PHE A 52 -1.208 6.360 1.722 1.00 0.00 O ATOM 799 CB PHE A 52 1.461 6.084 2.507 1.00 0.00 C ATOM 800 CG PHE A 52 2.946 6.017 2.714 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.787 6.926 2.095 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.500 5.038 3.523 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.154 6.862 2.281 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.866 4.969 3.711 1.00 0.00 C ATOM 805 CZ PHE A 52 5.695 5.881 3.089 1.00 0.00 C ATOM 0 H PHE A 52 1.464 7.871 0.622 1.00 0.00 H new ATOM 0 HA PHE A 52 1.479 4.930 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.098 7.057 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.979 5.334 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.370 7.693 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.856 4.321 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.800 7.579 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.286 4.202 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.764 5.828 3.234 1.00 0.00 H new ATOM 815 N TYR A 53 -0.925 4.922 0.013 1.00 0.00 N ATOM 816 CA TYR A 53 -2.351 4.695 -0.185 1.00 0.00 C ATOM 817 C TYR A 53 -2.775 3.373 0.443 1.00 0.00 C ATOM 818 O TYR A 53 -1.966 2.680 1.060 1.00 0.00 O ATOM 819 CB TYR A 53 -2.689 4.701 -1.677 1.00 0.00 C ATOM 820 CG TYR A 53 -2.774 6.087 -2.277 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.801 6.953 -1.923 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.835 6.527 -3.200 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.889 8.217 -2.472 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.915 7.791 -3.752 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.944 8.633 -3.386 1.00 0.00 C ATOM 826 OH TYR A 53 -3.028 9.891 -3.934 1.00 0.00 O ATOM 0 H TYR A 53 -0.324 4.403 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.898 5.502 0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.933 4.128 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.641 4.191 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.543 6.632 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.029 5.870 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.695 8.877 -2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.175 8.118 -4.467 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.285 10.026 -4.558 1.00 0.00 H new ATOM 836 N LYS A 54 -4.048 3.030 0.289 1.00 0.00 N ATOM 837 CA LYS A 54 -4.576 1.793 0.845 1.00 0.00 C ATOM 838 C LYS A 54 -5.544 1.140 -0.137 1.00 0.00 C ATOM 839 O LYS A 54 -6.431 1.796 -0.679 1.00 0.00 O ATOM 840 CB LYS A 54 -5.283 2.072 2.173 1.00 0.00 C ATOM 841 CG LYS A 54 -4.495 2.985 3.102 1.00 0.00 C ATOM 842 CD LYS A 54 -5.386 3.645 4.145 1.00 0.00 C ATOM 843 CE LYS A 54 -6.117 2.624 4.999 1.00 0.00 C ATOM 844 NZ LYS A 54 -6.954 3.274 6.044 1.00 0.00 N ATOM 0 H LYS A 54 -4.733 3.592 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.746 1.109 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.254 2.524 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.472 1.126 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.717 2.408 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.994 3.754 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.780 4.286 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.112 4.287 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.748 2.003 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.393 1.962 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.118 2.605 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.464 4.116 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.867 3.556 5.632 1.00 0.00 H new ATOM 858 N LEU A 55 -5.360 -0.154 -0.370 1.00 0.00 N ATOM 859 CA LEU A 55 -6.211 -0.889 -1.297 1.00 0.00 C ATOM 860 C LEU A 55 -7.339 -1.600 -0.559 1.00 0.00 C ATOM 861 O LEU A 55 -7.106 -2.351 0.388 1.00 0.00 O ATOM 862 CB LEU A 55 -5.371 -1.889 -2.097 1.00 0.00 C ATOM 863 CG LEU A 55 -6.101 -2.597 -3.243 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.128 -3.583 -2.707 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.765 -1.579 -4.157 1.00 0.00 C ATOM 0 H LEU A 55 -4.630 -0.715 0.070 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.664 -0.178 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.508 -1.365 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.988 -2.645 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.366 -3.157 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.632 -4.072 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.627 -4.333 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.861 -3.051 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.279 -2.097 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.485 -0.993 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.007 -0.916 -4.575 1.00 0.00 H new ATOM 877 N ASP A 56 -8.566 -1.345 -1.003 1.00 0.00 N ATOM 878 CA ASP A 56 -9.745 -1.933 -0.403 1.00 0.00 C ATOM 879 C ASP A 56 -10.044 -3.314 -0.981 1.00 0.00 C ATOM 880 O ASP A 56 -10.400 -3.446 -2.151 1.00 0.00 O ATOM 881 CB ASP A 56 -10.930 -1.000 -0.630 1.00 0.00 C ATOM 882 CG ASP A 56 -10.836 0.265 0.199 1.00 0.00 C ATOM 883 OD1 ASP A 56 -10.788 0.159 1.442 1.00 0.00 O ATOM 884 OD2 ASP A 56 -10.811 1.364 -0.395 1.00 0.00 O ATOM 0 H ASP A 56 -8.764 -0.725 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.565 -2.061 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.984 -0.736 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.854 -1.524 -0.385 1.00 0.00 H new ATOM 889 N VAL A 57 -9.907 -4.340 -0.145 1.00 0.00 N ATOM 890 CA VAL A 57 -10.173 -5.712 -0.565 1.00 0.00 C ATOM 891 C VAL A 57 -11.670 -6.024 -0.515 1.00 0.00 C ATOM 892 O VAL A 57 -12.102 -7.096 -0.937 1.00 0.00 O ATOM 893 CB VAL A 57 -9.398 -6.723 0.313 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.746 -8.161 -0.058 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.899 -6.492 0.175 1.00 0.00 C ATOM 0 H VAL A 57 -9.613 -4.247 0.827 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.830 -5.808 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.692 -6.565 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.185 -8.847 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.814 -8.325 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.488 -8.340 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.362 -7.208 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.605 -6.623 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.656 -5.479 0.496 1.00 0.00 H new ATOM 905 N ASP A 58 -12.459 -5.081 0.000 1.00 0.00 N ATOM 906 CA ASP A 58 -13.902 -5.266 0.097 1.00 0.00 C ATOM 907 C ASP A 58 -14.587 -4.888 -1.212 1.00 0.00 C ATOM 908 O ASP A 58 -15.526 -5.552 -1.647 1.00 0.00 O ATOM 909 CB ASP A 58 -14.475 -4.427 1.243 1.00 0.00 C ATOM 910 CG ASP A 58 -14.278 -2.940 1.034 1.00 0.00 C ATOM 911 OD1 ASP A 58 -13.112 -2.498 0.999 1.00 0.00 O ATOM 912 OD2 ASP A 58 -15.289 -2.218 0.905 1.00 0.00 O ATOM 0 H ASP A 58 -12.123 -4.186 0.354 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.092 -6.320 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.540 -4.638 1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.000 -4.724 2.178 1.00 0.00 H new ATOM 917 N GLU A 59 -14.110 -3.814 -1.833 1.00 0.00 N ATOM 918 CA GLU A 59 -14.678 -3.346 -3.089 1.00 0.00 C ATOM 919 C GLU A 59 -13.825 -3.784 -4.277 1.00 0.00 C ATOM 920 O GLU A 59 -14.312 -3.868 -5.404 1.00 0.00 O ATOM 921 CB GLU A 59 -14.810 -1.821 -3.076 1.00 0.00 C ATOM 922 CG GLU A 59 -15.511 -1.264 -4.304 1.00 0.00 C ATOM 923 CD GLU A 59 -16.919 -1.801 -4.464 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.744 -1.590 -3.551 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.198 -2.434 -5.505 1.00 0.00 O ATOM 0 H GLU A 59 -13.332 -3.253 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.667 -3.791 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.360 -1.519 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.817 -1.379 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.546 -0.177 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.929 -1.509 -5.193 1.00 0.00 H new ATOM 932 N LEU A 60 -12.547 -4.062 -4.021 1.00 0.00 N ATOM 933 CA LEU A 60 -11.634 -4.487 -5.077 1.00 0.00 C ATOM 934 C LEU A 60 -11.071 -5.876 -4.787 1.00 0.00 C ATOM 935 O LEU A 60 -9.863 -6.099 -4.878 1.00 0.00 O ATOM 936 CB LEU A 60 -10.486 -3.485 -5.232 1.00 0.00 C ATOM 937 CG LEU A 60 -10.907 -2.061 -5.597 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.739 -1.446 -4.483 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.683 -1.204 -5.885 1.00 0.00 C ATOM 0 H LEU A 60 -12.124 -4.000 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.199 -4.528 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.925 -3.452 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.805 -3.853 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.520 -2.103 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.029 -0.433 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.633 -2.048 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.152 -1.416 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.999 -0.193 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.046 -1.170 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.126 -1.634 -6.717 1.00 0.00 H new ATOM 951 N GLY A 61 -11.953 -6.809 -4.446 1.00 0.00 N ATOM 952 CA GLY A 61 -11.519 -8.163 -4.156 1.00 0.00 C ATOM 953 C GLY A 61 -10.829 -8.816 -5.339 1.00 0.00 C ATOM 954 O GLY A 61 -10.121 -9.810 -5.180 1.00 0.00 O ATOM 0 H GLY A 61 -12.958 -6.653 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.839 -8.149 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.381 -8.763 -3.865 1.00 0.00 H new ATOM 958 N ASP A 62 -11.041 -8.261 -6.529 1.00 0.00 N ATOM 959 CA ASP A 62 -10.438 -8.797 -7.743 1.00 0.00 C ATOM 960 C ASP A 62 -8.963 -8.421 -7.848 1.00 0.00 C ATOM 961 O ASP A 62 -8.175 -9.136 -8.466 1.00 0.00 O ATOM 962 CB ASP A 62 -11.186 -8.296 -8.968 1.00 0.00 C ATOM 963 CG ASP A 62 -12.644 -8.709 -8.968 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.369 -8.334 -8.022 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.063 -9.409 -9.914 1.00 0.00 O ATOM 0 H ASP A 62 -11.627 -7.439 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.508 -9.884 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.120 -7.209 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.703 -8.680 -9.867 1.00 0.00 H new ATOM 970 N VAL A 63 -8.593 -7.296 -7.244 1.00 0.00 N ATOM 971 CA VAL A 63 -7.210 -6.834 -7.280 1.00 0.00 C ATOM 972 C VAL A 63 -6.339 -7.657 -6.331 1.00 0.00 C ATOM 973 O VAL A 63 -5.337 -8.239 -6.746 1.00 0.00 O ATOM 974 CB VAL A 63 -7.104 -5.340 -6.921 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.706 -4.818 -7.207 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.143 -4.532 -7.685 1.00 0.00 C ATOM 0 H VAL A 63 -9.229 -6.690 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.851 -6.967 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.299 -5.230 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.652 -3.761 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.981 -5.375 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.481 -4.943 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.053 -3.479 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.980 -4.650 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.141 -4.887 -7.428 1.00 0.00 H new ATOM 986 N ALA A 64 -6.740 -7.725 -5.061 1.00 0.00 N ATOM 987 CA ALA A 64 -6.005 -8.507 -4.064 1.00 0.00 C ATOM 988 C ALA A 64 -5.817 -9.940 -4.552 1.00 0.00 C ATOM 989 O ALA A 64 -4.863 -10.618 -4.172 1.00 0.00 O ATOM 990 CB ALA A 64 -6.748 -8.495 -2.736 1.00 0.00 C ATOM 0 H ALA A 64 -7.567 -7.250 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.023 -8.057 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.192 -9.079 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.846 -7.468 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.739 -8.929 -2.870 1.00 0.00 H new ATOM 996 N GLN A 65 -6.733 -10.390 -5.407 1.00 0.00 N ATOM 997 CA GLN A 65 -6.674 -11.735 -5.964 1.00 0.00 C ATOM 998 C GLN A 65 -5.873 -11.746 -7.263 1.00 0.00 C ATOM 999 O GLN A 65 -5.283 -12.762 -7.630 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.086 -12.268 -6.215 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.112 -13.674 -6.792 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.521 -14.176 -7.039 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.278 -13.582 -7.807 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.881 -15.276 -6.387 1.00 0.00 N ATOM 0 H GLN A 65 -7.528 -9.838 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.174 -12.382 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.641 -12.259 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.604 -11.594 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.555 -13.689 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.603 -14.353 -6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.221 -15.736 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.817 -15.660 -6.513 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.850 -10.607 -7.950 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.118 -10.481 -9.197 1.00 0.00 C ATOM 1015 C LYS A 66 -3.615 -10.503 -8.926 1.00 0.00 C ATOM 1016 O LYS A 66 -2.870 -11.253 -9.554 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.550 -9.194 -9.909 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.414 -8.339 -10.444 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.695 -9.011 -11.605 1.00 0.00 C ATOM 1020 CE LYS A 66 -2.547 -8.157 -12.117 1.00 0.00 C ATOM 1021 NZ LYS A 66 -3.015 -6.826 -12.596 1.00 0.00 N ATOM 0 H LYS A 66 -6.334 -9.757 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.344 -11.324 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.206 -9.459 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.140 -8.594 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.807 -7.376 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.702 -8.139 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.314 -9.981 -11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.402 -9.196 -12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.814 -8.020 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.041 -8.678 -12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.254 -6.363 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.846 -6.950 -13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.272 -6.234 -11.780 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.183 -9.685 -7.971 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.788 -9.613 -7.594 1.00 0.00 C ATOM 1037 C ASN A 67 -1.394 -10.798 -6.711 1.00 0.00 C ATOM 1038 O ASN A 67 -0.239 -10.922 -6.305 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.533 -8.302 -6.861 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.743 -7.093 -7.751 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -1.069 -6.933 -8.768 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.681 -6.234 -7.371 1.00 0.00 N ATOM 0 H ASN A 67 -3.792 -9.059 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.178 -9.654 -8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.197 -8.235 -5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.512 -8.295 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.867 -5.401 -7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.216 -6.407 -6.520 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.363 -11.667 -6.417 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.126 -12.842 -5.588 1.00 0.00 C ATOM 1051 C GLU A 68 -1.814 -12.451 -4.147 1.00 0.00 C ATOM 1052 O GLU A 68 -0.984 -13.081 -3.492 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.982 -13.682 -6.164 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.230 -14.141 -7.591 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.080 -14.955 -8.149 1.00 0.00 C ATOM 1056 OE1 GLU A 68 1.048 -14.421 -8.218 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.305 -16.127 -8.517 1.00 0.00 O ATOM 0 H GLU A 68 -3.324 -11.575 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.039 -13.437 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.061 -13.099 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.828 -14.556 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.142 -14.737 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.395 -13.270 -8.225 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.489 -11.417 -3.651 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.278 -10.964 -2.284 1.00 0.00 C ATOM 1066 C VAL A 69 -3.538 -11.157 -1.448 1.00 0.00 C ATOM 1067 O VAL A 69 -4.189 -10.188 -1.053 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.859 -9.483 -2.236 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.531 -9.069 -0.808 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.673 -9.233 -3.156 1.00 0.00 C ATOM 0 H VAL A 69 -3.182 -10.882 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.471 -11.568 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.694 -8.876 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.237 -8.020 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.409 -9.209 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.712 -9.681 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.391 -8.181 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.169 -9.849 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.946 -9.490 -4.180 1.00 0.00 H new ATOM 1080 N SER A 70 -3.879 -12.412 -1.182 1.00 0.00 N ATOM 1081 CA SER A 70 -5.064 -12.728 -0.393 1.00 0.00 C ATOM 1082 C SER A 70 -4.778 -12.609 1.103 1.00 0.00 C ATOM 1083 O SER A 70 -5.693 -12.689 1.923 1.00 0.00 O ATOM 1084 CB SER A 70 -5.565 -14.135 -0.717 1.00 0.00 C ATOM 1085 OG SER A 70 -4.597 -15.112 -0.380 1.00 0.00 O ATOM 0 H SER A 70 -3.353 -13.226 -1.500 1.00 0.00 H new ATOM 0 HA SER A 70 -5.838 -12.007 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.488 -14.330 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.802 -14.204 -1.779 1.00 0.00 H new ATOM 0 HG SER A 70 -4.943 -16.003 -0.596 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.507 -12.411 1.456 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.117 -12.273 2.854 1.00 0.00 C ATOM 1093 C ALA A 71 -3.870 -11.120 3.508 1.00 0.00 C ATOM 1094 O ALA A 71 -4.846 -10.618 2.950 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.616 -12.060 2.968 1.00 0.00 C ATOM 0 H ALA A 71 -2.735 -12.343 0.793 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.376 -13.194 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.342 -11.959 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.094 -12.914 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.335 -11.154 2.431 1.00 0.00 H new ATOM 1101 N MET A 72 -3.426 -10.699 4.687 1.00 0.00 N ATOM 1102 CA MET A 72 -4.092 -9.605 5.379 1.00 0.00 C ATOM 1103 C MET A 72 -3.352 -9.182 6.648 1.00 0.00 C ATOM 1104 O MET A 72 -3.370 -9.892 7.652 1.00 0.00 O ATOM 1105 CB MET A 72 -5.531 -9.999 5.722 1.00 0.00 C ATOM 1106 CG MET A 72 -5.650 -11.138 6.721 1.00 0.00 C ATOM 1107 SD MET A 72 -4.981 -12.698 6.109 1.00 0.00 S ATOM 1108 CE MET A 72 -5.252 -13.761 7.525 1.00 0.00 C ATOM 0 H MET A 72 -2.621 -11.091 5.176 1.00 0.00 H new ATOM 0 HA MET A 72 -4.094 -8.750 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.048 -9.126 6.121 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.046 -10.282 4.804 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.130 -10.863 7.639 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.700 -11.277 6.979 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.513 -14.763 7.183 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.343 -13.808 8.124 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.065 -13.361 8.130 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.687 -8.007 6.634 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.618 -7.110 5.478 1.00 0.00 C ATOM 1120 C PRO A 73 -1.429 -7.422 4.570 1.00 0.00 C ATOM 1121 O PRO A 73 -0.792 -8.465 4.707 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.425 -5.759 6.147 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.549 -6.070 7.306 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.935 -7.454 7.774 1.00 0.00 C ATOM 0 HA PRO A 73 -3.492 -7.184 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.959 -5.040 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.375 -5.329 6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.498 -6.036 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.685 -5.339 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.058 -8.058 8.007 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.545 -7.417 8.677 1.00 0.00 H new ATOM 1132 N THR A 74 -1.129 -6.500 3.658 1.00 0.00 N ATOM 1133 CA THR A 74 -0.005 -6.660 2.738 1.00 0.00 C ATOM 1134 C THR A 74 0.393 -5.312 2.154 1.00 0.00 C ATOM 1135 O THR A 74 -0.463 -4.477 1.875 1.00 0.00 O ATOM 1136 CB THR A 74 -0.357 -7.619 1.602 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.795 -8.867 2.108 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.811 -7.880 0.673 1.00 0.00 C ATOM 0 H THR A 74 -1.650 -5.632 3.536 1.00 0.00 H new ATOM 0 HA THR A 74 0.830 -7.076 3.301 1.00 0.00 H new ATOM 0 HB THR A 74 -1.153 -7.129 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.755 -8.970 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.503 -8.568 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.138 -6.941 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.634 -8.319 1.237 1.00 0.00 H new ATOM 1146 N LEU A 75 1.691 -5.098 1.968 1.00 0.00 N ATOM 1147 CA LEU A 75 2.175 -3.838 1.418 1.00 0.00 C ATOM 1148 C LEU A 75 2.719 -4.016 0.004 1.00 0.00 C ATOM 1149 O LEU A 75 3.619 -4.819 -0.232 1.00 0.00 O ATOM 1150 CB LEU A 75 3.260 -3.243 2.316 1.00 0.00 C ATOM 1151 CG LEU A 75 2.840 -2.977 3.763 1.00 0.00 C ATOM 1152 CD1 LEU A 75 3.914 -2.184 4.484 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.508 -2.242 3.812 1.00 0.00 C ATOM 0 H LEU A 75 2.421 -5.775 2.188 1.00 0.00 H new ATOM 0 HA LEU A 75 1.327 -3.154 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.115 -3.920 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.599 -2.305 1.875 1.00 0.00 H new ATOM 0 HG LEU A 75 2.716 -3.935 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.603 -2.001 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.846 -2.749 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.066 -1.231 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.229 -2.063 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.599 -1.289 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.741 -2.847 3.329 1.00 0.00 H new ATOM 1165 N LEU A 76 2.164 -3.249 -0.930 1.00 0.00 N ATOM 1166 CA LEU A 76 2.590 -3.303 -2.324 1.00 0.00 C ATOM 1167 C LEU A 76 3.218 -1.979 -2.752 1.00 0.00 C ATOM 1168 O LEU A 76 2.623 -0.915 -2.584 1.00 0.00 O ATOM 1169 CB LEU A 76 1.400 -3.646 -3.228 1.00 0.00 C ATOM 1170 CG LEU A 76 0.824 -5.052 -3.034 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.174 -5.381 -4.134 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.939 -6.088 -2.995 1.00 0.00 C ATOM 0 H LEU A 76 1.416 -2.581 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 76 3.344 -4.084 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.608 -2.918 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.709 -3.537 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 76 0.300 -5.077 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.571 -6.384 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.991 -4.660 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.324 -5.335 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.509 -7.080 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.494 -6.061 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.613 -5.866 -2.168 1.00 0.00 H new ATOM 1184 N LEU A 77 4.429 -2.053 -3.303 1.00 0.00 N ATOM 1185 CA LEU A 77 5.144 -0.861 -3.752 1.00 0.00 C ATOM 1186 C LEU A 77 5.218 -0.813 -5.275 1.00 0.00 C ATOM 1187 O LEU A 77 5.564 -1.804 -5.921 1.00 0.00 O ATOM 1188 CB LEU A 77 6.554 -0.827 -3.155 1.00 0.00 C ATOM 1189 CG LEU A 77 6.614 -0.698 -1.631 1.00 0.00 C ATOM 1190 CD1 LEU A 77 5.960 -1.897 -0.962 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.055 -0.549 -1.168 1.00 0.00 C ATOM 0 H LEU A 77 4.935 -2.927 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 77 4.593 0.014 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.077 -1.738 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.098 0.008 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 77 6.062 0.196 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.014 -1.784 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.916 -1.960 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.481 -2.808 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.081 -0.458 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.627 -1.425 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.491 0.343 -1.617 1.00 0.00 H new ATOM 1203 N PHE A 78 4.875 0.344 -5.840 1.00 0.00 N ATOM 1204 CA PHE A 78 4.881 0.528 -7.290 1.00 0.00 C ATOM 1205 C PHE A 78 5.623 1.807 -7.685 1.00 0.00 C ATOM 1206 O PHE A 78 5.293 2.893 -7.210 1.00 0.00 O ATOM 1207 CB PHE A 78 3.439 0.603 -7.795 1.00 0.00 C ATOM 1208 CG PHE A 78 2.590 -0.558 -7.356 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.830 -1.836 -7.834 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.554 -0.368 -6.455 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.051 -2.902 -7.422 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.774 -1.429 -6.041 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.023 -2.697 -6.524 1.00 0.00 C ATOM 0 H PHE A 78 4.589 1.170 -5.314 1.00 0.00 H new ATOM 0 HA PHE A 78 5.397 -0.320 -7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.986 1.529 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.445 0.647 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.634 -2.002 -8.536 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.355 0.622 -6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.247 -3.894 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.031 -1.267 -5.339 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.414 -3.528 -6.200 1.00 0.00 H new ATOM 1223 N LYS A 79 6.617 1.681 -8.568 1.00 0.00 N ATOM 1224 CA LYS A 79 7.378 2.847 -9.025 1.00 0.00 C ATOM 1225 C LYS A 79 7.060 3.174 -10.486 1.00 0.00 C ATOM 1226 O LYS A 79 7.163 2.314 -11.359 1.00 0.00 O ATOM 1227 CB LYS A 79 8.883 2.615 -8.857 1.00 0.00 C ATOM 1228 CG LYS A 79 9.395 2.876 -7.446 1.00 0.00 C ATOM 1229 CD LYS A 79 10.882 2.582 -7.331 1.00 0.00 C ATOM 1230 CE LYS A 79 11.699 3.457 -8.269 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.514 4.906 -7.977 1.00 0.00 N ATOM 0 H LYS A 79 6.911 0.794 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 79 7.083 3.696 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.115 1.586 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.420 3.260 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.206 3.915 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.845 2.257 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.208 2.746 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.065 1.532 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.754 3.200 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.409 3.254 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.230 5.458 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.565 5.203 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.618 5.070 -6.955 1.00 0.00 H new ATOM 1245 N ASN A 80 6.676 4.427 -10.745 1.00 0.00 N ATOM 1246 CA ASN A 80 6.345 4.869 -12.101 1.00 0.00 C ATOM 1247 C ASN A 80 5.352 3.924 -12.779 1.00 0.00 C ATOM 1248 O ASN A 80 5.608 3.413 -13.868 1.00 0.00 O ATOM 1249 CB ASN A 80 7.613 4.987 -12.949 1.00 0.00 C ATOM 1250 CG ASN A 80 8.544 6.073 -12.450 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.040 6.014 -11.325 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.781 7.076 -13.287 1.00 0.00 N ATOM 0 H ASN A 80 6.587 5.152 -10.033 1.00 0.00 H new ATOM 0 HA ASN A 80 5.874 5.848 -12.018 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.139 4.032 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.337 5.196 -13.983 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.396 7.840 -13.007 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.348 7.083 -14.210 1.00 0.00 H new ATOM 1259 N GLY A 81 4.213 3.708 -12.131 1.00 0.00 N ATOM 1260 CA GLY A 81 3.188 2.838 -12.679 1.00 0.00 C ATOM 1261 C GLY A 81 3.673 1.417 -12.907 1.00 0.00 C ATOM 1262 O GLY A 81 3.036 0.646 -13.623 1.00 0.00 O ATOM 0 H GLY A 81 3.980 4.123 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.335 2.820 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.836 3.252 -13.624 1.00 0.00 H new ATOM 1266 N LYS A 82 4.796 1.070 -12.290 1.00 0.00 N ATOM 1267 CA LYS A 82 5.361 -0.267 -12.419 1.00 0.00 C ATOM 1268 C LYS A 82 5.346 -0.971 -11.066 1.00 0.00 C ATOM 1269 O LYS A 82 4.518 -0.667 -10.211 1.00 0.00 O ATOM 1270 CB LYS A 82 6.788 -0.185 -12.980 1.00 0.00 C ATOM 1271 CG LYS A 82 6.875 0.520 -14.323 1.00 0.00 C ATOM 1272 CD LYS A 82 8.307 0.582 -14.830 1.00 0.00 C ATOM 1273 CE LYS A 82 8.895 -0.808 -15.015 1.00 0.00 C ATOM 1274 NZ LYS A 82 8.109 -1.619 -15.986 1.00 0.00 N ATOM 0 H LYS A 82 5.335 1.698 -11.694 1.00 0.00 H new ATOM 0 HA LYS A 82 4.755 -0.848 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.422 0.338 -12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.188 -1.194 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.253 -0.003 -15.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.477 1.530 -14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.335 1.119 -15.778 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.919 1.146 -14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.925 -0.723 -15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.924 -1.321 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.645 -2.473 -16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.203 -1.894 -15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.929 -1.057 -16.842 1.00 0.00 H new ATOM 1288 N GLU A 83 6.259 -1.906 -10.879 1.00 0.00 N ATOM 1289 CA GLU A 83 6.348 -2.649 -9.633 1.00 0.00 C ATOM 1290 C GLU A 83 7.594 -2.220 -8.863 1.00 0.00 C ATOM 1291 O GLU A 83 8.416 -1.463 -9.380 1.00 0.00 O ATOM 1292 CB GLU A 83 6.386 -4.154 -9.935 1.00 0.00 C ATOM 1293 CG GLU A 83 6.444 -5.041 -8.703 1.00 0.00 C ATOM 1294 CD GLU A 83 6.332 -6.515 -9.042 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.301 -6.914 -9.624 1.00 0.00 O ATOM 1296 OE2 GLU A 83 7.276 -7.270 -8.727 1.00 0.00 O ATOM 0 H GLU A 83 6.954 -2.171 -11.577 1.00 0.00 H new ATOM 0 HA GLU A 83 5.474 -2.438 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.502 -4.418 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.253 -4.365 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.381 -4.863 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.638 -4.766 -8.023 1.00 0.00 H new ATOM 1303 N VAL A 84 7.722 -2.683 -7.624 1.00 0.00 N ATOM 1304 CA VAL A 84 8.867 -2.332 -6.797 1.00 0.00 C ATOM 1305 C VAL A 84 9.291 -3.501 -5.919 1.00 0.00 C ATOM 1306 O VAL A 84 10.423 -3.977 -6.008 1.00 0.00 O ATOM 1307 CB VAL A 84 8.574 -1.127 -5.914 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.820 -0.691 -5.155 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.010 0.016 -6.739 1.00 0.00 C ATOM 0 H VAL A 84 7.048 -3.301 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 84 9.679 -2.080 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 84 7.823 -1.418 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.583 0.171 -4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.167 -1.510 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.603 -0.422 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.807 0.868 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.733 0.305 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.085 -0.303 -7.218 1.00 0.00 H new ATOM 1319 N ALA A 85 8.379 -3.959 -5.070 1.00 0.00 N ATOM 1320 CA ALA A 85 8.669 -5.073 -4.178 1.00 0.00 C ATOM 1321 C ALA A 85 7.409 -5.571 -3.481 1.00 0.00 C ATOM 1322 O ALA A 85 6.428 -4.840 -3.351 1.00 0.00 O ATOM 1323 CB ALA A 85 9.714 -4.666 -3.151 1.00 0.00 C ATOM 0 H ALA A 85 7.437 -3.578 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 85 9.062 -5.891 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.922 -5.508 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.630 -4.371 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.340 -3.827 -2.564 1.00 0.00 H new ATOM 1329 N LYS A 86 7.449 -6.821 -3.031 1.00 0.00 N ATOM 1330 CA LYS A 86 6.317 -7.425 -2.339 1.00 0.00 C ATOM 1331 C LYS A 86 6.700 -7.813 -0.916 1.00 0.00 C ATOM 1332 O LYS A 86 7.544 -8.683 -0.702 1.00 0.00 O ATOM 1333 CB LYS A 86 5.819 -8.652 -3.105 1.00 0.00 C ATOM 1334 CG LYS A 86 6.885 -9.715 -3.318 1.00 0.00 C ATOM 1335 CD LYS A 86 6.355 -10.882 -4.135 1.00 0.00 C ATOM 1336 CE LYS A 86 5.186 -11.563 -3.441 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.661 -12.708 -4.236 1.00 0.00 N ATOM 0 H LYS A 86 8.256 -7.437 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 86 5.513 -6.690 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.982 -9.093 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.438 -8.333 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.743 -9.274 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.237 -10.077 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.040 -10.527 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.154 -11.605 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.502 -11.917 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.388 -10.838 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.865 -13.146 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.336 -12.367 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.415 -13.412 -4.371 1.00 0.00 H new ATOM 1351 N VAL A 87 6.079 -7.157 0.056 1.00 0.00 N ATOM 1352 CA VAL A 87 6.356 -7.431 1.460 1.00 0.00 C ATOM 1353 C VAL A 87 5.067 -7.483 2.272 1.00 0.00 C ATOM 1354 O VAL A 87 4.700 -6.515 2.939 1.00 0.00 O ATOM 1355 CB VAL A 87 7.294 -6.366 2.065 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.622 -6.696 3.513 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.565 -6.244 1.237 1.00 0.00 C ATOM 0 H VAL A 87 5.380 -6.431 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 87 6.848 -8.403 1.505 1.00 0.00 H new ATOM 0 HB VAL A 87 6.780 -5.405 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.285 -5.932 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.702 -6.726 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.115 -7.667 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.215 -5.488 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.082 -7.203 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.309 -5.953 0.218 1.00 0.00 H new ATOM 1367 N VAL A 88 4.384 -8.622 2.213 1.00 0.00 N ATOM 1368 CA VAL A 88 3.138 -8.807 2.944 1.00 0.00 C ATOM 1369 C VAL A 88 3.354 -8.635 4.446 1.00 0.00 C ATOM 1370 O VAL A 88 3.569 -9.608 5.169 1.00 0.00 O ATOM 1371 CB VAL A 88 2.527 -10.196 2.663 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.552 -11.292 2.913 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.283 -10.421 3.510 1.00 0.00 C ATOM 0 H VAL A 88 4.674 -9.432 1.665 1.00 0.00 H new ATOM 0 HA VAL A 88 2.442 -8.043 2.597 1.00 0.00 H new ATOM 0 HB VAL A 88 2.234 -10.233 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.102 -12.264 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.410 -11.144 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.879 -11.254 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.870 -11.406 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.546 -10.360 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.541 -9.658 3.277 1.00 0.00 H new ATOM 1383 N GLY A 89 3.293 -7.389 4.908 1.00 0.00 N ATOM 1384 CA GLY A 89 3.483 -7.109 6.319 1.00 0.00 C ATOM 1385 C GLY A 89 4.312 -5.862 6.562 1.00 0.00 C ATOM 1386 O GLY A 89 5.444 -5.758 6.086 1.00 0.00 O ATOM 0 H GLY A 89 3.115 -6.568 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.510 -6.992 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.970 -7.962 6.792 1.00 0.00 H new ATOM 1390 N ALA A 90 3.750 -4.915 7.306 1.00 0.00 N ATOM 1391 CA ALA A 90 4.442 -3.668 7.617 1.00 0.00 C ATOM 1392 C ALA A 90 5.354 -3.841 8.828 1.00 0.00 C ATOM 1393 O ALA A 90 5.249 -3.104 9.807 1.00 0.00 O ATOM 1394 CB ALA A 90 3.433 -2.558 7.875 1.00 0.00 C ATOM 0 H ALA A 90 2.815 -4.987 7.706 1.00 0.00 H new ATOM 0 HA ALA A 90 5.058 -3.396 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.961 -1.633 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.817 -2.413 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.797 -2.833 8.717 1.00 0.00 H new ATOM 1400 N ASN A 91 6.252 -4.820 8.754 1.00 0.00 N ATOM 1401 CA ASN A 91 7.181 -5.083 9.847 1.00 0.00 C ATOM 1402 C ASN A 91 7.905 -3.803 10.261 1.00 0.00 C ATOM 1403 O ASN A 91 8.416 -3.071 9.414 1.00 0.00 O ATOM 1404 CB ASN A 91 8.198 -6.149 9.432 1.00 0.00 C ATOM 1405 CG ASN A 91 9.173 -6.488 10.542 1.00 0.00 C ATOM 1406 OD1 ASN A 91 8.778 -6.954 11.611 1.00 0.00 O ATOM 1407 ND2 ASN A 91 10.457 -6.253 10.295 1.00 0.00 N ATOM 0 H ASN A 91 6.355 -5.441 7.952 1.00 0.00 H new ATOM 0 HA ASN A 91 6.610 -5.449 10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.669 -7.053 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.752 -5.798 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.159 -6.460 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.741 -5.866 9.395 1.00 0.00 H new ATOM 1414 N PRO A 92 7.959 -3.511 11.574 1.00 0.00 N ATOM 1415 CA PRO A 92 8.621 -2.310 12.090 1.00 0.00 C ATOM 1416 C PRO A 92 9.983 -2.063 11.446 1.00 0.00 C ATOM 1417 O PRO A 92 10.452 -0.928 11.383 1.00 0.00 O ATOM 1418 CB PRO A 92 8.777 -2.621 13.576 1.00 0.00 C ATOM 1419 CG PRO A 92 7.600 -3.475 13.886 1.00 0.00 C ATOM 1420 CD PRO A 92 7.376 -4.322 12.662 1.00 0.00 C ATOM 0 HA PRO A 92 8.051 -1.405 11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.713 -3.141 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.780 -1.711 14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.787 -4.096 14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.723 -2.867 14.107 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.867 -5.291 12.748 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.316 -4.516 12.496 1.00 0.00 H new ATOM 1428 N ALA A 93 10.614 -3.133 10.970 1.00 0.00 N ATOM 1429 CA ALA A 93 11.922 -3.024 10.337 1.00 0.00 C ATOM 1430 C ALA A 93 11.913 -3.592 8.919 1.00 0.00 C ATOM 1431 O ALA A 93 12.783 -4.382 8.553 1.00 0.00 O ATOM 1432 CB ALA A 93 12.973 -3.729 11.182 1.00 0.00 C ATOM 0 H ALA A 93 10.241 -4.082 11.011 1.00 0.00 H new ATOM 0 HA ALA A 93 12.170 -1.965 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.946 -3.641 10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.015 -3.269 12.169 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.712 -4.782 11.283 1.00 0.00 H new ATOM 1438 N ALA A 94 10.931 -3.180 8.119 1.00 0.00 N ATOM 1439 CA ALA A 94 10.831 -3.649 6.740 1.00 0.00 C ATOM 1440 C ALA A 94 10.137 -2.629 5.856 1.00 0.00 C ATOM 1441 O ALA A 94 10.737 -2.105 4.917 1.00 0.00 O ATOM 1442 CB ALA A 94 10.120 -4.991 6.679 1.00 0.00 C ATOM 0 H ALA A 94 10.199 -2.527 8.400 1.00 0.00 H new ATOM 0 HA ALA A 94 11.844 -3.780 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.056 -5.322 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.678 -5.725 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.116 -4.890 7.090 1.00 0.00 H new ATOM 1448 N ILE A 95 8.881 -2.328 6.160 1.00 0.00 N ATOM 1449 CA ILE A 95 8.140 -1.347 5.386 1.00 0.00 C ATOM 1450 C ILE A 95 8.849 0.012 5.390 1.00 0.00 C ATOM 1451 O ILE A 95 8.431 0.938 4.698 1.00 0.00 O ATOM 1452 CB ILE A 95 6.703 -1.185 5.928 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.949 -0.089 5.167 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.734 -0.875 7.416 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.996 -0.249 3.662 1.00 0.00 C ATOM 0 H ILE A 95 8.360 -2.746 6.931 1.00 0.00 H new ATOM 0 HA ILE A 95 8.091 -1.713 4.360 1.00 0.00 H new ATOM 0 HB ILE A 95 6.173 -2.125 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.908 -0.085 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.369 0.881 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.715 -0.763 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.225 -1.690 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.284 0.051 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.441 0.563 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.032 -0.222 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.548 -1.203 3.383 1.00 0.00 H new ATOM 1467 N LYS A 96 9.932 0.126 6.163 1.00 0.00 N ATOM 1468 CA LYS A 96 10.684 1.372 6.232 1.00 0.00 C ATOM 1469 C LYS A 96 11.793 1.383 5.189 1.00 0.00 C ATOM 1470 O LYS A 96 11.966 2.359 4.459 1.00 0.00 O ATOM 1471 CB LYS A 96 11.274 1.576 7.631 1.00 0.00 C ATOM 1472 CG LYS A 96 12.361 0.575 7.992 1.00 0.00 C ATOM 1473 CD LYS A 96 12.893 0.812 9.396 1.00 0.00 C ATOM 1474 CE LYS A 96 14.071 -0.098 9.706 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.576 0.099 11.092 1.00 0.00 N ATOM 0 H LYS A 96 10.302 -0.626 6.744 1.00 0.00 H new ATOM 0 HA LYS A 96 9.998 2.193 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.684 2.584 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.472 1.508 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.964 -0.437 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.178 0.650 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.199 1.853 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.098 0.640 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.771 -1.138 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.875 0.095 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.379 -0.540 11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.886 1.084 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.817 -0.110 11.771 1.00 0.00 H new ATOM 1489 N GLN A 97 12.544 0.288 5.125 1.00 0.00 N ATOM 1490 CA GLN A 97 13.635 0.172 4.170 1.00 0.00 C ATOM 1491 C GLN A 97 13.094 -0.065 2.769 1.00 0.00 C ATOM 1492 O GLN A 97 13.680 0.378 1.781 1.00 0.00 O ATOM 1493 CB GLN A 97 14.573 -0.970 4.566 1.00 0.00 C ATOM 1494 CG GLN A 97 15.203 -0.796 5.941 1.00 0.00 C ATOM 1495 CD GLN A 97 16.146 -1.927 6.328 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.307 -2.918 5.452 1.00 0.00 O flip ATOM 1497 NE2 GLN A 97 16.729 -1.910 7.412 1.00 0.00 N flip ATOM 0 H GLN A 97 12.416 -0.529 5.723 1.00 0.00 H new ATOM 0 HA GLN A 97 14.195 1.107 4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.018 -1.908 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.365 -1.053 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.751 0.146 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.412 -0.723 6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.582 -1.135 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.359 -2.671 7.664 1.00 0.00 H new ATOM 1506 N ALA A 98 11.965 -0.762 2.690 1.00 0.00 N ATOM 1507 CA ALA A 98 11.340 -1.049 1.406 1.00 0.00 C ATOM 1508 C ALA A 98 10.950 0.244 0.699 1.00 0.00 C ATOM 1509 O ALA A 98 10.946 0.319 -0.528 1.00 0.00 O ATOM 1510 CB ALA A 98 10.121 -1.940 1.597 1.00 0.00 C ATOM 0 H ALA A 98 11.467 -1.137 3.497 1.00 0.00 H new ATOM 0 HA ALA A 98 12.061 -1.577 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.665 -2.145 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.425 -2.878 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.398 -1.435 2.238 1.00 0.00 H new ATOM 1516 N ILE A 99 10.623 1.258 1.492 1.00 0.00 N ATOM 1517 CA ILE A 99 10.231 2.557 0.961 1.00 0.00 C ATOM 1518 C ILE A 99 11.438 3.479 0.786 1.00 0.00 C ATOM 1519 O ILE A 99 11.314 4.579 0.249 1.00 0.00 O ATOM 1520 CB ILE A 99 9.210 3.238 1.893 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.999 2.329 2.105 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.774 4.580 1.323 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.953 2.919 3.025 1.00 0.00 C ATOM 0 H ILE A 99 10.622 1.204 2.511 1.00 0.00 H new ATOM 0 HA ILE A 99 9.779 2.382 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 99 9.687 3.415 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.542 2.115 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.337 1.377 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.053 5.044 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.643 5.230 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.313 4.428 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.124 2.219 3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.394 3.107 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.587 3.856 2.606 1.00 0.00 H new ATOM 1535 N ALA A 100 12.601 3.034 1.250 1.00 0.00 N ATOM 1536 CA ALA A 100 13.818 3.830 1.149 1.00 0.00 C ATOM 1537 C ALA A 100 14.574 3.540 -0.142 1.00 0.00 C ATOM 1538 O ALA A 100 14.528 4.321 -1.093 1.00 0.00 O ATOM 1539 CB ALA A 100 14.712 3.576 2.354 1.00 0.00 C ATOM 0 H ALA A 100 12.726 2.127 1.699 1.00 0.00 H new ATOM 0 HA ALA A 100 13.529 4.881 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.618 4.176 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.181 3.850 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.979 2.520 2.393 1.00 0.00 H new ATOM 1545 N ALA A 101 15.281 2.415 -0.160 1.00 0.00 N ATOM 1546 CA ALA A 101 16.067 2.012 -1.323 1.00 0.00 C ATOM 1547 C ALA A 101 15.260 2.091 -2.615 1.00 0.00 C ATOM 1548 O ALA A 101 15.818 2.312 -3.688 1.00 0.00 O ATOM 1549 CB ALA A 101 16.607 0.604 -1.127 1.00 0.00 C ATOM 0 H ALA A 101 15.326 1.762 0.622 1.00 0.00 H new ATOM 0 HA ALA A 101 16.899 2.711 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.191 0.314 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.241 0.578 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.776 -0.090 -1.000 1.00 0.00 H new ATOM 1555 N ASN A 102 13.947 1.902 -2.514 1.00 0.00 N ATOM 1556 CA ASN A 102 13.087 1.945 -3.678 1.00 0.00 C ATOM 1557 C ASN A 102 12.604 3.363 -3.971 1.00 0.00 C ATOM 1558 O ASN A 102 12.973 3.955 -4.985 1.00 0.00 O ATOM 1559 CB ASN A 102 11.899 1.017 -3.465 1.00 0.00 C ATOM 1560 CG ASN A 102 12.303 -0.445 -3.471 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.838 -0.949 -4.459 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.048 -1.135 -2.366 1.00 0.00 N ATOM 0 H ASN A 102 13.462 1.718 -1.636 1.00 0.00 H new ATOM 0 HA ASN A 102 13.664 1.612 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.420 1.256 -2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.160 1.191 -4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.297 -2.123 -2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.603 -0.677 -1.570 1.00 0.00 H new ATOM 1569 N ALA A 103 11.774 3.903 -3.082 1.00 0.00 N ATOM 1570 CA ALA A 103 11.240 5.251 -3.258 1.00 0.00 C ATOM 1571 C ALA A 103 12.357 6.263 -3.493 1.00 0.00 C ATOM 1572 O ALA A 103 12.038 7.434 -3.791 1.00 0.00 O ATOM 1573 CB ALA A 103 10.410 5.654 -2.049 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.539 5.877 -3.380 1.00 0.00 O ATOM 0 H ALA A 103 11.458 3.430 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 103 10.600 5.245 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.019 6.661 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.581 4.957 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.034 5.634 -1.156 1.00 0.00 H new TER 1580 ALA A 103