USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -0.577 X(o=-3.3,f=-3.7) USER MOD Set 1.2: A 92 ASN :FLIP amide:sc= -2.73 F(o=-4.9!,f=-3.3) USER MOD Set 2.1: A 28 THR OG1 : rot -124:sc= 1.2 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= 0.693 F(o=0.33,f=1.9) USER MOD Set 3.1: A 7 CYS SG : rot -137:sc= 0.0988 USER MOD Set 3.2: A 101 GLN :FLIP amide:sc= -0.563 F(o=-4.4,f=-0.46) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.0291 USER MOD Single : A 8 SER OG : rot -4:sc= 0.764! USER MOD Single : A 9 SER OG : rot -134:sc= -2.82 USER MOD Single : A 12 THR OG1 : rot 20:sc= -0.105 USER MOD Single : A 14 MET CE :methyl -149:sc= -0.126 (180deg=-0.357) USER MOD Single : A 16 TYR OH : rot 30:sc= -1.87 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 34 SER OG : rot -26:sc= -0.139 USER MOD Single : A 37 GLN :FLIP amide:sc= -2.9! C(o=-4.9!,f=-2.9!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.87 F(o=-3,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= -0.69 K(o=-0.69,f=-6.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0656 (180deg=-0.336) USER MOD Single : A 54 MET CE :methyl -140:sc= -1.52 (180deg=-2.05) USER MOD Single : A 55 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.4!) USER MOD Single : A 64 CYS SG : rot -140:sc= 0.7 USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0429) USER MOD Single : A 72 TYR OH : rot -164:sc= 0.649 USER MOD Single : A 73 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.9!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.067 F(o=-1.1,f=-0.067) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 80 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-7.7!) USER MOD Single : A 81 GLN : amide:sc= -2.93 X(o=-2.9,f=-2.8!) USER MOD Single : A 87 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.096 (180deg=-0.386) USER MOD Single : A 106 MET CE :methyl -117:sc= -12.2! (180deg=-17.5!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.910 9.245 4.737 1.00 0.00 N ATOM 47 CA THR A 4 11.778 9.809 3.398 1.00 0.00 C ATOM 48 C THR A 4 10.719 9.062 2.593 1.00 0.00 C ATOM 49 O THR A 4 10.635 7.835 2.649 1.00 0.00 O ATOM 50 CB THR A 4 13.124 9.757 2.671 1.00 0.00 C ATOM 51 OG1 THR A 4 14.076 10.579 3.320 1.00 0.00 O ATOM 52 CG2 THR A 4 13.047 10.199 1.224 1.00 0.00 C ATOM 0 HA THR A 4 11.463 10.848 3.495 1.00 0.00 H new ATOM 0 HB THR A 4 13.422 8.709 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.879 10.613 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.037 10.137 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.358 9.551 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.690 11.228 1.176 1.00 0.00 H new ATOM 60 N VAL A 5 9.918 9.809 1.840 1.00 0.00 N ATOM 61 CA VAL A 5 8.869 9.216 1.018 1.00 0.00 C ATOM 62 C VAL A 5 9.399 8.877 -0.375 1.00 0.00 C ATOM 63 O VAL A 5 10.326 9.520 -0.867 1.00 0.00 O ATOM 64 CB VAL A 5 7.651 10.159 0.897 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.702 9.695 -0.199 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.917 10.251 2.226 1.00 0.00 C ATOM 0 H VAL A 5 9.975 10.826 1.782 1.00 0.00 H new ATOM 0 HA VAL A 5 8.548 8.298 1.510 1.00 0.00 H new ATOM 0 HB VAL A 5 8.019 11.149 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.855 10.378 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.227 9.682 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.343 8.692 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.062 10.919 2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.570 9.260 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.592 10.640 2.988 1.00 0.00 H new ATOM 76 N ILE A 6 8.812 7.859 -1.000 1.00 0.00 N ATOM 77 CA ILE A 6 9.239 7.435 -2.329 1.00 0.00 C ATOM 78 C ILE A 6 8.272 7.899 -3.414 1.00 0.00 C ATOM 79 O ILE A 6 8.611 8.753 -4.234 1.00 0.00 O ATOM 80 CB ILE A 6 9.384 5.901 -2.425 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.713 5.297 -1.055 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.457 5.546 -3.441 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.321 3.911 -1.124 1.00 0.00 C ATOM 0 H ILE A 6 8.043 7.315 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 6 10.211 7.901 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 6 8.434 5.480 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.403 5.960 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.801 5.254 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.554 4.462 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.179 5.943 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.409 5.978 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.525 3.553 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.624 3.232 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.251 3.950 -1.691 1.00 0.00 H new ATOM 95 N CYS A 7 7.073 7.323 -3.428 1.00 0.00 N ATOM 96 CA CYS A 7 6.073 7.674 -4.432 1.00 0.00 C ATOM 97 C CYS A 7 4.721 7.980 -3.796 1.00 0.00 C ATOM 98 O CYS A 7 4.575 7.945 -2.572 1.00 0.00 O ATOM 99 CB CYS A 7 5.930 6.537 -5.445 1.00 0.00 C ATOM 100 SG CYS A 7 6.230 7.036 -7.156 1.00 0.00 S ATOM 0 H CYS A 7 6.771 6.615 -2.759 1.00 0.00 H new ATOM 0 HA CYS A 7 6.413 8.576 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.626 5.740 -5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.925 6.121 -5.369 1.00 0.00 H new ATOM 0 HG CYS A 7 5.338 6.492 -7.929 1.00 0.00 H new ATOM 106 N SER A 8 3.734 8.281 -4.643 1.00 0.00 N ATOM 107 CA SER A 8 2.386 8.603 -4.180 1.00 0.00 C ATOM 108 C SER A 8 1.341 8.247 -5.235 1.00 0.00 C ATOM 109 O SER A 8 1.436 8.679 -6.383 1.00 0.00 O ATOM 110 CB SER A 8 2.285 10.094 -3.846 1.00 0.00 C ATOM 111 OG SER A 8 2.011 10.861 -5.007 1.00 0.00 O ATOM 0 H SER A 8 3.846 8.308 -5.656 1.00 0.00 H new ATOM 0 HA SER A 8 2.191 8.013 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.498 10.252 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.218 10.433 -3.395 1.00 0.00 H new ATOM 0 HG SER A 8 2.004 10.275 -5.792 1.00 0.00 H new ATOM 117 N SER A 9 0.344 7.458 -4.841 1.00 0.00 N ATOM 118 CA SER A 9 -0.711 7.053 -5.764 1.00 0.00 C ATOM 119 C SER A 9 -2.094 7.177 -5.127 1.00 0.00 C ATOM 120 O SER A 9 -2.222 7.309 -3.910 1.00 0.00 O ATOM 121 CB SER A 9 -0.483 5.614 -6.216 1.00 0.00 C ATOM 122 OG SER A 9 -1.474 5.209 -7.144 1.00 0.00 O ATOM 0 H SER A 9 0.245 7.089 -3.895 1.00 0.00 H new ATOM 0 HA SER A 9 -0.674 7.721 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.504 5.524 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.497 4.951 -5.351 1.00 0.00 H new ATOM 0 HG SER A 9 -1.807 4.320 -6.900 1.00 0.00 H new ATOM 128 N ARG A 10 -3.126 7.117 -5.965 1.00 0.00 N ATOM 129 CA ARG A 10 -4.509 7.207 -5.502 1.00 0.00 C ATOM 130 C ARG A 10 -5.176 5.836 -5.573 1.00 0.00 C ATOM 131 O ARG A 10 -5.252 5.225 -6.642 1.00 0.00 O ATOM 132 CB ARG A 10 -5.289 8.214 -6.347 1.00 0.00 C ATOM 133 CG ARG A 10 -6.402 8.914 -5.585 1.00 0.00 C ATOM 134 CD ARG A 10 -7.165 9.883 -6.474 1.00 0.00 C ATOM 135 NE ARG A 10 -6.345 11.026 -6.871 1.00 0.00 N ATOM 136 CZ ARG A 10 -5.561 11.041 -7.948 1.00 0.00 C ATOM 137 NH1 ARG A 10 -5.481 9.978 -8.740 1.00 0.00 N ATOM 138 NH2 ARG A 10 -4.852 12.125 -8.233 1.00 0.00 N ATOM 0 H ARG A 10 -3.030 7.006 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.508 7.547 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.598 8.963 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.717 7.700 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.090 8.171 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.980 9.453 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.513 9.360 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.050 10.238 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.375 11.863 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.023 9.141 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.878 9.999 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.908 12.944 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.251 12.139 -9.057 1.00 0.00 H new ATOM 152 N ALA A 11 -5.655 5.352 -4.432 1.00 0.00 N ATOM 153 CA ALA A 11 -6.300 4.048 -4.372 1.00 0.00 C ATOM 154 C ALA A 11 -7.040 3.862 -3.055 1.00 0.00 C ATOM 155 O ALA A 11 -6.971 4.708 -2.168 1.00 0.00 O ATOM 156 CB ALA A 11 -5.263 2.947 -4.555 1.00 0.00 C ATOM 0 H ALA A 11 -5.608 5.843 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.031 3.990 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.753 1.974 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.777 3.063 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.517 3.015 -3.764 1.00 0.00 H new ATOM 162 N THR A 12 -7.740 2.742 -2.932 1.00 0.00 N ATOM 163 CA THR A 12 -8.487 2.439 -1.720 1.00 0.00 C ATOM 164 C THR A 12 -7.901 1.216 -1.030 1.00 0.00 C ATOM 165 O THR A 12 -8.229 0.081 -1.375 1.00 0.00 O ATOM 166 CB THR A 12 -9.962 2.200 -2.048 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.469 3.240 -2.863 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.840 2.108 -0.819 1.00 0.00 C ATOM 0 H THR A 12 -7.806 2.028 -3.658 1.00 0.00 H new ATOM 0 HA THR A 12 -8.412 3.292 -1.046 1.00 0.00 H new ATOM 0 HB THR A 12 -9.992 1.242 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.725 3.705 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.873 1.938 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.505 1.281 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.776 3.039 -0.255 1.00 0.00 H new ATOM 176 N VAL A 13 -7.025 1.454 -0.059 1.00 0.00 N ATOM 177 CA VAL A 13 -6.386 0.369 0.675 1.00 0.00 C ATOM 178 C VAL A 13 -7.406 -0.683 1.101 1.00 0.00 C ATOM 179 O VAL A 13 -8.582 -0.382 1.302 1.00 0.00 O ATOM 180 CB VAL A 13 -5.621 0.897 1.908 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.127 -0.250 2.780 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.457 1.771 1.464 1.00 0.00 C ATOM 0 H VAL A 13 -6.742 2.388 0.237 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.668 -0.097 0.001 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.306 1.498 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.592 0.152 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.978 -0.838 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.457 -0.885 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.923 2.139 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.778 1.185 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.835 2.616 0.888 1.00 0.00 H new ATOM 192 N MET A 14 -6.943 -1.919 1.219 1.00 0.00 N ATOM 193 CA MET A 14 -7.803 -3.029 1.600 1.00 0.00 C ATOM 194 C MET A 14 -7.013 -4.087 2.364 1.00 0.00 C ATOM 195 O MET A 14 -5.835 -4.304 2.092 1.00 0.00 O ATOM 196 CB MET A 14 -8.440 -3.660 0.355 1.00 0.00 C ATOM 197 CG MET A 14 -9.749 -4.370 0.646 1.00 0.00 C ATOM 198 SD MET A 14 -10.987 -4.111 -0.639 1.00 0.00 S ATOM 199 CE MET A 14 -12.418 -3.696 0.355 1.00 0.00 C ATOM 0 H MET A 14 -5.970 -2.179 1.055 1.00 0.00 H new ATOM 0 HA MET A 14 -8.589 -2.642 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.614 -2.883 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.739 -4.370 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.561 -5.438 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.143 -4.019 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.323 -4.034 -0.151 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.341 -4.185 1.326 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.463 -2.616 0.496 1.00 0.00 H new ATOM 209 N LEU A 15 -7.668 -4.745 3.314 1.00 0.00 N ATOM 210 CA LEU A 15 -7.020 -5.786 4.107 1.00 0.00 C ATOM 211 C LEU A 15 -7.787 -7.099 3.990 1.00 0.00 C ATOM 212 O LEU A 15 -8.889 -7.231 4.516 1.00 0.00 O ATOM 213 CB LEU A 15 -6.920 -5.362 5.577 1.00 0.00 C ATOM 214 CG LEU A 15 -5.521 -4.951 6.048 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.485 -4.824 7.562 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.478 -5.951 5.574 1.00 0.00 C ATOM 0 H LEU A 15 -8.645 -4.577 3.554 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.012 -5.933 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.601 -4.527 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.267 -6.186 6.200 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.286 -3.980 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.484 -4.531 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.202 -4.068 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.743 -5.782 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.492 -5.640 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.709 -6.937 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.484 -5.994 4.485 1.00 0.00 H new ATOM 228 N TYR A 16 -7.203 -8.063 3.288 1.00 0.00 N ATOM 229 CA TYR A 16 -7.843 -9.358 3.095 1.00 0.00 C ATOM 230 C TYR A 16 -7.857 -10.182 4.374 1.00 0.00 C ATOM 231 O TYR A 16 -6.994 -10.033 5.238 1.00 0.00 O ATOM 232 CB TYR A 16 -7.139 -10.146 1.991 1.00 0.00 C ATOM 233 CG TYR A 16 -8.016 -11.194 1.350 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.865 -10.868 0.300 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.997 -12.506 1.799 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.672 -11.823 -0.286 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.800 -13.469 1.220 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.636 -13.123 0.177 1.00 0.00 C ATOM 239 OH TYR A 16 -10.437 -14.080 -0.404 1.00 0.00 O ATOM 0 H TYR A 16 -6.289 -7.972 2.844 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.875 -9.163 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.794 -9.453 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.254 -10.628 2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.894 -9.852 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.344 -12.779 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.327 -11.555 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.774 -14.487 1.581 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.584 -13.856 -1.347 1.00 0.00 H new ATOM 249 N ASP A 17 -8.843 -11.066 4.471 1.00 0.00 N ATOM 250 CA ASP A 17 -8.986 -11.942 5.625 1.00 0.00 C ATOM 251 C ASP A 17 -9.033 -13.400 5.178 1.00 0.00 C ATOM 252 O ASP A 17 -10.106 -13.949 4.929 1.00 0.00 O ATOM 253 CB ASP A 17 -10.255 -11.591 6.406 1.00 0.00 C ATOM 254 CG ASP A 17 -10.053 -11.679 7.906 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.665 -10.658 8.514 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.283 -12.767 8.475 1.00 0.00 O ATOM 0 H ASP A 17 -9.560 -11.195 3.757 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.124 -11.801 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.573 -10.582 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.059 -12.265 6.110 1.00 0.00 H new ATOM 261 N ASP A 18 -7.860 -14.019 5.074 1.00 0.00 N ATOM 262 CA ASP A 18 -7.762 -15.414 4.650 1.00 0.00 C ATOM 263 C ASP A 18 -8.651 -16.317 5.502 1.00 0.00 C ATOM 264 O ASP A 18 -9.027 -17.411 5.080 1.00 0.00 O ATOM 265 CB ASP A 18 -6.311 -15.889 4.727 1.00 0.00 C ATOM 266 CG ASP A 18 -5.761 -15.841 6.139 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.295 -16.561 7.008 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.796 -15.084 6.375 1.00 0.00 O ATOM 0 H ASP A 18 -6.964 -13.577 5.277 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.107 -15.474 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.245 -16.909 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.693 -15.268 4.078 1.00 0.00 H new ATOM 273 N GLY A 19 -8.980 -15.854 6.703 1.00 0.00 N ATOM 274 CA GLY A 19 -9.819 -16.633 7.595 1.00 0.00 C ATOM 275 C GLY A 19 -11.158 -16.985 6.977 1.00 0.00 C ATOM 276 O GLY A 19 -11.698 -18.064 7.223 1.00 0.00 O ATOM 0 H GLY A 19 -8.681 -14.953 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.298 -17.550 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.984 -16.072 8.515 1.00 0.00 H new ATOM 280 N ASN A 20 -11.694 -16.074 6.171 1.00 0.00 N ATOM 281 CA ASN A 20 -12.978 -16.296 5.517 1.00 0.00 C ATOM 282 C ASN A 20 -12.912 -15.946 4.031 1.00 0.00 C ATOM 283 O ASN A 20 -13.942 -15.822 3.369 1.00 0.00 O ATOM 284 CB ASN A 20 -14.068 -15.465 6.196 1.00 0.00 C ATOM 285 CG ASN A 20 -14.291 -15.873 7.640 1.00 0.00 C ATOM 286 OD1 ASN A 20 -14.762 -16.975 7.920 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.951 -14.984 8.565 1.00 0.00 N ATOM 0 H ASN A 20 -11.260 -15.177 5.956 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.220 -17.355 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.794 -14.411 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.001 -15.573 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.077 -15.203 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.564 -14.082 8.288 1.00 0.00 H new ATOM 294 N LYS A 21 -11.697 -15.788 3.509 1.00 0.00 N ATOM 295 CA LYS A 21 -11.505 -15.453 2.101 1.00 0.00 C ATOM 296 C LYS A 21 -12.353 -14.247 1.704 1.00 0.00 C ATOM 297 O LYS A 21 -13.455 -14.397 1.179 1.00 0.00 O ATOM 298 CB LYS A 21 -11.852 -16.656 1.219 1.00 0.00 C ATOM 299 CG LYS A 21 -10.700 -17.117 0.341 1.00 0.00 C ATOM 300 CD LYS A 21 -11.200 -17.838 -0.901 1.00 0.00 C ATOM 301 CE LYS A 21 -11.674 -16.858 -1.962 1.00 0.00 C ATOM 302 NZ LYS A 21 -11.274 -17.285 -3.330 1.00 0.00 N ATOM 0 H LYS A 21 -10.832 -15.887 4.040 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.456 -15.195 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.168 -17.483 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.701 -16.399 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.099 -16.257 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.050 -17.780 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.402 -18.459 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.017 -18.506 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.759 -16.767 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.261 -15.871 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.616 -16.590 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.237 -17.348 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.689 -18.216 -3.538 1.00 0.00 H new ATOM 316 N ARG A 22 -11.834 -13.050 1.966 1.00 0.00 N ATOM 317 CA ARG A 22 -12.548 -11.820 1.640 1.00 0.00 C ATOM 318 C ARG A 22 -11.746 -10.592 2.062 1.00 0.00 C ATOM 319 O ARG A 22 -10.919 -10.661 2.971 1.00 0.00 O ATOM 320 CB ARG A 22 -13.912 -11.805 2.332 1.00 0.00 C ATOM 321 CG ARG A 22 -13.861 -12.278 3.778 1.00 0.00 C ATOM 322 CD ARG A 22 -14.560 -11.304 4.712 1.00 0.00 C ATOM 323 NE ARG A 22 -13.916 -11.245 6.023 1.00 0.00 N ATOM 324 CZ ARG A 22 -14.511 -10.785 7.122 1.00 0.00 C ATOM 325 NH1 ARG A 22 -15.760 -10.339 7.072 1.00 0.00 N ATOM 326 NH2 ARG A 22 -13.853 -10.769 8.273 1.00 0.00 N ATOM 0 H ARG A 22 -10.923 -12.906 2.402 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.688 -11.788 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.315 -10.793 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.601 -12.439 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.330 -13.259 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.822 -12.396 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.562 -10.310 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.602 -11.602 4.833 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.954 -11.576 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.270 -10.347 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.210 -9.988 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.892 -11.109 8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.308 -10.417 9.115 1.00 0.00 H new ATOM 340 N TRP A 23 -12.004 -9.466 1.403 1.00 0.00 N ATOM 341 CA TRP A 23 -11.312 -8.222 1.720 1.00 0.00 C ATOM 342 C TRP A 23 -11.818 -7.650 3.039 1.00 0.00 C ATOM 343 O TRP A 23 -12.790 -8.144 3.610 1.00 0.00 O ATOM 344 CB TRP A 23 -11.514 -7.191 0.608 1.00 0.00 C ATOM 345 CG TRP A 23 -10.647 -7.410 -0.596 1.00 0.00 C ATOM 346 CD1 TRP A 23 -11.074 -7.573 -1.878 1.00 0.00 C ATOM 347 CD2 TRP A 23 -9.213 -7.479 -0.642 1.00 0.00 C ATOM 348 NE1 TRP A 23 -10.007 -7.754 -2.718 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.853 -7.699 -1.986 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.201 -7.381 0.316 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.529 -7.820 -2.393 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.885 -7.501 -0.091 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.560 -7.720 -1.435 1.00 0.00 C ATOM 0 H TRP A 23 -12.686 -9.390 0.648 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.249 -8.444 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.559 -7.207 0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.316 -6.197 1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -12.108 -7.561 -2.189 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -10.064 -7.905 -3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.442 -7.215 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.276 -7.987 -3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.094 -7.424 0.641 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.522 -7.812 -1.720 1.00 0.00 H new ATOM 364 N LEU A 24 -11.159 -6.600 3.510 1.00 0.00 N ATOM 365 CA LEU A 24 -11.543 -5.947 4.755 1.00 0.00 C ATOM 366 C LEU A 24 -10.877 -4.575 4.864 1.00 0.00 C ATOM 367 O LEU A 24 -9.653 -4.479 4.933 1.00 0.00 O ATOM 368 CB LEU A 24 -11.161 -6.819 5.956 1.00 0.00 C ATOM 369 CG LEU A 24 -12.314 -7.158 6.902 1.00 0.00 C ATOM 370 CD1 LEU A 24 -11.807 -7.950 8.097 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.019 -5.891 7.361 1.00 0.00 C ATOM 0 H LEU A 24 -10.353 -6.181 3.047 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.624 -5.810 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.728 -7.749 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.383 -6.308 6.524 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.033 -7.773 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.641 -8.183 8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.349 -8.877 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.068 -7.359 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.836 -6.153 8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.310 -5.249 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.417 -5.362 6.495 1.00 0.00 H new ATOM 383 N PRO A 25 -11.675 -3.490 4.876 1.00 0.00 N ATOM 384 CA PRO A 25 -11.155 -2.123 4.969 1.00 0.00 C ATOM 385 C PRO A 25 -10.000 -1.990 5.959 1.00 0.00 C ATOM 386 O PRO A 25 -10.215 -1.810 7.158 1.00 0.00 O ATOM 387 CB PRO A 25 -12.368 -1.333 5.453 1.00 0.00 C ATOM 388 CG PRO A 25 -13.537 -2.050 4.868 1.00 0.00 C ATOM 389 CD PRO A 25 -13.151 -3.506 4.792 1.00 0.00 C ATOM 0 HA PRO A 25 -10.742 -1.778 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.419 -1.312 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.328 -0.297 5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.424 -1.916 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.776 -1.660 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.591 -4.079 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.493 -3.962 3.863 1.00 0.00 H new ATOM 397 N ALA A 26 -8.773 -2.082 5.446 1.00 0.00 N ATOM 398 CA ALA A 26 -7.577 -1.971 6.277 1.00 0.00 C ATOM 399 C ALA A 26 -7.686 -0.819 7.270 1.00 0.00 C ATOM 400 O ALA A 26 -7.339 -0.960 8.444 1.00 0.00 O ATOM 401 CB ALA A 26 -6.348 -1.791 5.401 1.00 0.00 C ATOM 0 H ALA A 26 -8.582 -2.234 4.456 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.482 -2.894 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.462 -1.709 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.245 -2.650 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.455 -0.884 4.806 1.00 0.00 H new ATOM 407 N GLY A 27 -8.168 0.319 6.789 1.00 0.00 N ATOM 408 CA GLY A 27 -8.315 1.485 7.640 1.00 0.00 C ATOM 409 C GLY A 27 -9.196 1.220 8.846 1.00 0.00 C ATOM 410 O GLY A 27 -8.779 0.551 9.792 1.00 0.00 O ATOM 0 H GLY A 27 -8.461 0.456 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.331 1.810 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.739 2.304 7.058 1.00 0.00 H new ATOM 414 N THR A 28 -10.416 1.748 8.814 1.00 0.00 N ATOM 415 CA THR A 28 -11.356 1.565 9.915 1.00 0.00 C ATOM 416 C THR A 28 -12.655 0.933 9.426 1.00 0.00 C ATOM 417 O THR A 28 -12.870 -0.269 9.583 1.00 0.00 O ATOM 418 CB THR A 28 -11.647 2.906 10.590 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.034 3.877 9.633 1.00 0.00 O ATOM 420 CG2 THR A 28 -10.464 3.461 11.354 1.00 0.00 C ATOM 0 H THR A 28 -10.776 2.305 8.039 1.00 0.00 H new ATOM 0 HA THR A 28 -10.900 0.892 10.641 1.00 0.00 H new ATOM 0 HB THR A 28 -12.453 2.704 11.296 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.443 4.656 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.738 4.413 11.808 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.172 2.758 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.628 3.612 10.671 1.00 0.00 H new ATOM 428 N GLY A 29 -13.517 1.749 8.833 1.00 0.00 N ATOM 429 CA GLY A 29 -14.785 1.254 8.331 1.00 0.00 C ATOM 430 C GLY A 29 -15.136 1.829 6.971 1.00 0.00 C ATOM 431 O GLY A 29 -14.996 1.150 5.954 1.00 0.00 O ATOM 0 H GLY A 29 -13.361 2.747 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.746 0.167 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.574 1.501 9.041 1.00 0.00 H new ATOM 435 N PRO A 30 -15.599 3.090 6.920 1.00 0.00 N ATOM 436 CA PRO A 30 -15.968 3.746 5.662 1.00 0.00 C ATOM 437 C PRO A 30 -14.866 3.647 4.612 1.00 0.00 C ATOM 438 O PRO A 30 -13.817 3.051 4.856 1.00 0.00 O ATOM 439 CB PRO A 30 -16.186 5.204 6.073 1.00 0.00 C ATOM 440 CG PRO A 30 -16.556 5.139 7.514 1.00 0.00 C ATOM 441 CD PRO A 30 -15.798 3.974 8.085 1.00 0.00 C ATOM 0 HA PRO A 30 -16.841 3.284 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.284 5.797 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.975 5.668 5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.293 6.064 8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.631 5.002 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.848 4.287 8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.361 3.477 8.875 1.00 0.00 H new ATOM 449 N GLN A 31 -15.109 4.239 3.447 1.00 0.00 N ATOM 450 CA GLN A 31 -14.133 4.219 2.363 1.00 0.00 C ATOM 451 C GLN A 31 -14.196 5.506 1.549 1.00 0.00 C ATOM 452 O GLN A 31 -15.241 6.150 1.462 1.00 0.00 O ATOM 453 CB GLN A 31 -14.368 3.017 1.446 1.00 0.00 C ATOM 454 CG GLN A 31 -13.824 1.709 1.998 1.00 0.00 C ATOM 455 CD GLN A 31 -14.854 0.596 1.987 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.628 0.441 2.932 1.00 0.00 O ATOM 457 NE2 GLN A 31 -14.868 -0.186 0.913 1.00 0.00 N ATOM 0 H GLN A 31 -15.972 4.738 3.229 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.143 4.136 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.438 2.909 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.905 3.213 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.958 1.403 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.476 1.867 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.208 -0.021 0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.539 -0.952 0.848 1.00 0.00 H new ATOM 466 N ALA A 32 -13.067 5.867 0.953 1.00 0.00 N ATOM 467 CA ALA A 32 -12.972 7.071 0.138 1.00 0.00 C ATOM 468 C ALA A 32 -11.569 7.207 -0.432 1.00 0.00 C ATOM 469 O ALA A 32 -10.976 8.286 -0.411 1.00 0.00 O ATOM 470 CB ALA A 32 -13.336 8.300 0.959 1.00 0.00 C ATOM 0 H ALA A 32 -12.197 5.338 1.020 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.678 6.991 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.260 9.190 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.357 8.202 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.652 8.389 1.803 1.00 0.00 H new ATOM 476 N PHE A 33 -11.039 6.095 -0.925 1.00 0.00 N ATOM 477 CA PHE A 33 -9.692 6.069 -1.487 1.00 0.00 C ATOM 478 C PHE A 33 -8.694 6.662 -0.502 1.00 0.00 C ATOM 479 O PHE A 33 -9.049 7.003 0.624 1.00 0.00 O ATOM 480 CB PHE A 33 -9.633 6.840 -2.807 1.00 0.00 C ATOM 481 CG PHE A 33 -10.173 6.071 -3.974 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.537 5.985 -4.199 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.312 5.431 -4.847 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.032 5.274 -5.275 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.798 4.719 -5.923 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.161 4.639 -6.139 1.00 0.00 C ATOM 0 H PHE A 33 -11.522 5.197 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.431 5.028 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.195 7.768 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.598 7.116 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.221 6.479 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.246 5.490 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.098 5.215 -5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.114 4.224 -6.597 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.544 4.082 -6.981 1.00 0.00 H new ATOM 496 N SER A 34 -7.448 6.780 -0.931 1.00 0.00 N ATOM 497 CA SER A 34 -6.409 7.333 -0.078 1.00 0.00 C ATOM 498 C SER A 34 -5.102 7.493 -0.840 1.00 0.00 C ATOM 499 O SER A 34 -4.812 6.737 -1.768 1.00 0.00 O ATOM 500 CB SER A 34 -6.191 6.434 1.140 1.00 0.00 C ATOM 501 OG SER A 34 -5.646 5.182 0.760 1.00 0.00 O ATOM 0 H SER A 34 -7.132 6.502 -1.860 1.00 0.00 H new ATOM 0 HA SER A 34 -6.736 8.318 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.521 6.927 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.139 6.280 1.656 1.00 0.00 H new ATOM 0 HG SER A 34 -5.894 4.985 -0.167 1.00 0.00 H new ATOM 507 N ARG A 35 -4.311 8.473 -0.428 1.00 0.00 N ATOM 508 CA ARG A 35 -3.024 8.729 -1.054 1.00 0.00 C ATOM 509 C ARG A 35 -1.934 7.996 -0.289 1.00 0.00 C ATOM 510 O ARG A 35 -1.436 8.485 0.726 1.00 0.00 O ATOM 511 CB ARG A 35 -2.729 10.229 -1.083 1.00 0.00 C ATOM 512 CG ARG A 35 -1.709 10.625 -2.138 1.00 0.00 C ATOM 513 CD ARG A 35 -2.379 11.197 -3.376 1.00 0.00 C ATOM 514 NE ARG A 35 -1.461 12.007 -4.173 1.00 0.00 N ATOM 515 CZ ARG A 35 -1.856 12.890 -5.089 1.00 0.00 C ATOM 516 NH1 ARG A 35 -3.147 13.079 -5.326 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.955 13.586 -5.769 1.00 0.00 N ATOM 0 H ARG A 35 -4.540 9.105 0.339 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.052 8.367 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.657 10.771 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.366 10.539 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.022 11.362 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.114 9.755 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.767 10.382 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.233 11.805 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.460 11.890 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.844 12.547 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.443 13.757 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.039 13.445 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.256 14.262 -6.471 1.00 0.00 H new ATOM 531 N VAL A 36 -1.588 6.807 -0.765 1.00 0.00 N ATOM 532 CA VAL A 36 -0.579 5.994 -0.106 1.00 0.00 C ATOM 533 C VAL A 36 0.808 6.205 -0.696 1.00 0.00 C ATOM 534 O VAL A 36 1.057 5.906 -1.865 1.00 0.00 O ATOM 535 CB VAL A 36 -0.929 4.496 -0.165 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.020 3.695 0.712 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.374 4.271 0.258 1.00 0.00 C ATOM 0 H VAL A 36 -1.991 6.387 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.567 6.320 0.934 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.817 4.152 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.241 2.638 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.043 3.834 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.061 4.038 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.605 3.207 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.514 4.628 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.038 4.817 -0.412 1.00 0.00 H new ATOM 547 N GLN A 37 1.706 6.702 0.139 1.00 0.00 N ATOM 548 CA GLN A 37 3.083 6.943 -0.255 1.00 0.00 C ATOM 549 C GLN A 37 3.989 5.932 0.432 1.00 0.00 C ATOM 550 O GLN A 37 3.637 5.390 1.479 1.00 0.00 O ATOM 551 CB GLN A 37 3.497 8.366 0.116 1.00 0.00 C ATOM 552 CG GLN A 37 2.806 9.430 -0.716 1.00 0.00 C ATOM 553 CD GLN A 37 3.402 10.811 -0.520 1.00 0.00 C ATOM 554 OE1 GLN A 37 4.342 11.179 -1.383 1.00 0.00 O flip ATOM 555 NE2 GLN A 37 3.021 11.539 0.397 1.00 0.00 N flip ATOM 0 H GLN A 37 1.501 6.949 1.107 1.00 0.00 H new ATOM 0 HA GLN A 37 3.174 6.830 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.276 8.538 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.576 8.466 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.870 9.158 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.748 9.456 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.296 11.216 1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.431 12.466 0.516 1.00 0.00 H new ATOM 564 N ILE A 38 5.152 5.673 -0.150 1.00 0.00 N ATOM 565 CA ILE A 38 6.079 4.720 0.435 1.00 0.00 C ATOM 566 C ILE A 38 7.186 5.446 1.176 1.00 0.00 C ATOM 567 O ILE A 38 7.567 6.553 0.804 1.00 0.00 O ATOM 568 CB ILE A 38 6.689 3.792 -0.635 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.576 3.095 -1.417 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.616 2.766 0.008 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.085 2.237 -2.552 1.00 0.00 C ATOM 0 H ILE A 38 5.472 6.105 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 38 5.517 4.105 1.137 1.00 0.00 H new ATOM 0 HB ILE A 38 7.279 4.395 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.996 2.474 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.897 3.848 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.036 2.121 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.423 3.281 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.053 2.162 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.242 1.773 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.640 2.857 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.741 1.462 -2.156 1.00 0.00 H new ATOM 583 N TYR A 39 7.699 4.825 2.227 1.00 0.00 N ATOM 584 CA TYR A 39 8.760 5.430 3.013 1.00 0.00 C ATOM 585 C TYR A 39 10.058 4.647 2.870 1.00 0.00 C ATOM 586 O TYR A 39 10.123 3.463 3.198 1.00 0.00 O ATOM 587 CB TYR A 39 8.345 5.521 4.480 1.00 0.00 C ATOM 588 CG TYR A 39 7.484 6.727 4.771 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.217 6.848 4.214 1.00 0.00 C ATOM 590 CD2 TYR A 39 7.943 7.751 5.587 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.432 7.954 4.464 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.164 8.860 5.846 1.00 0.00 C ATOM 593 CZ TYR A 39 5.908 8.959 5.282 1.00 0.00 C ATOM 594 OH TYR A 39 5.129 10.064 5.534 1.00 0.00 O ATOM 0 H TYR A 39 7.399 3.906 2.553 1.00 0.00 H new ATOM 0 HA TYR A 39 8.933 6.438 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.802 4.617 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.238 5.559 5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.841 6.063 3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.927 7.679 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.450 8.033 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.535 9.646 6.487 1.00 0.00 H new ATOM 0 HH TYR A 39 5.611 10.675 6.129 1.00 0.00 H new ATOM 604 N HIS A 40 11.087 5.321 2.372 1.00 0.00 N ATOM 605 CA HIS A 40 12.385 4.696 2.175 1.00 0.00 C ATOM 606 C HIS A 40 13.280 4.927 3.386 1.00 0.00 C ATOM 607 O HIS A 40 13.822 6.015 3.576 1.00 0.00 O ATOM 608 CB HIS A 40 13.051 5.244 0.909 1.00 0.00 C ATOM 609 CG HIS A 40 14.401 4.654 0.636 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.150 3.783 1.352 1.00 0.00 N flip ATOM 611 CD2 HIS A 40 15.135 4.948 -0.495 1.00 0.00 C flip ATOM 612 CE1 HIS A 40 16.310 3.570 0.648 1.00 0.00 C flip ATOM 613 NE2 HIS A 40 16.275 4.283 -0.462 1.00 0.00 N flip ATOM 0 H HIS A 40 11.046 6.302 2.097 1.00 0.00 H new ATOM 0 HA HIS A 40 12.237 3.623 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.401 5.053 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.148 6.326 0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.825 5.617 -1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.120 2.924 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.005 4.315 -1.174 1.00 0.00 H new ATOM 622 N ASN A 41 13.420 3.891 4.207 1.00 0.00 N ATOM 623 CA ASN A 41 14.243 3.964 5.407 1.00 0.00 C ATOM 624 C ASN A 41 15.555 3.211 5.207 1.00 0.00 C ATOM 625 O ASN A 41 15.671 2.044 5.579 1.00 0.00 O ATOM 626 CB ASN A 41 13.493 3.371 6.603 1.00 0.00 C ATOM 627 CG ASN A 41 12.043 3.815 6.660 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.614 4.675 5.890 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.281 3.228 7.576 1.00 0.00 N ATOM 0 H ASN A 41 12.971 2.987 4.061 1.00 0.00 H new ATOM 0 HA ASN A 41 14.463 5.014 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.534 2.283 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.996 3.665 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.298 3.485 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.679 2.520 8.193 1.00 0.00 H new ATOM 636 N PRO A 42 16.563 3.868 4.613 1.00 0.00 N ATOM 637 CA PRO A 42 17.864 3.247 4.366 1.00 0.00 C ATOM 638 C PRO A 42 18.698 3.120 5.635 1.00 0.00 C ATOM 639 O PRO A 42 19.595 2.282 5.716 1.00 0.00 O ATOM 640 CB PRO A 42 18.529 4.206 3.386 1.00 0.00 C ATOM 641 CG PRO A 42 17.932 5.535 3.701 1.00 0.00 C ATOM 642 CD PRO A 42 16.516 5.263 4.132 1.00 0.00 C ATOM 0 HA PRO A 42 17.765 2.229 3.990 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.611 4.217 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.333 3.917 2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.491 6.036 4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.956 6.190 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.197 5.948 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.816 5.379 3.305 1.00 0.00 H new ATOM 650 N THR A 43 18.392 3.950 6.631 1.00 0.00 N ATOM 651 CA THR A 43 19.113 3.915 7.900 1.00 0.00 C ATOM 652 C THR A 43 19.148 2.495 8.455 1.00 0.00 C ATOM 653 O THR A 43 20.095 2.102 9.136 1.00 0.00 O ATOM 654 CB THR A 43 18.459 4.858 8.911 1.00 0.00 C ATOM 655 OG1 THR A 43 17.227 4.327 9.367 1.00 0.00 O ATOM 656 CG2 THR A 43 18.187 6.238 8.353 1.00 0.00 C ATOM 0 H THR A 43 17.653 4.651 6.583 1.00 0.00 H new ATOM 0 HA THR A 43 20.136 4.246 7.723 1.00 0.00 H new ATOM 0 HB THR A 43 19.176 4.949 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.825 4.943 10.014 1.00 0.00 H new ATOM 0 HG21 THR A 43 17.723 6.856 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.125 6.695 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.517 6.159 7.497 1.00 0.00 H new ATOM 664 N ALA A 44 18.107 1.727 8.145 1.00 0.00 N ATOM 665 CA ALA A 44 18.010 0.345 8.597 1.00 0.00 C ATOM 666 C ALA A 44 17.698 -0.595 7.433 1.00 0.00 C ATOM 667 O ALA A 44 17.440 -1.782 7.636 1.00 0.00 O ATOM 668 CB ALA A 44 16.952 0.217 9.680 1.00 0.00 C ATOM 0 H ALA A 44 17.317 2.041 7.581 1.00 0.00 H new ATOM 0 HA ALA A 44 18.975 0.057 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.891 -0.821 10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.219 0.850 10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.986 0.530 9.284 1.00 0.00 H new ATOM 674 N ASN A 45 17.718 -0.058 6.216 1.00 0.00 N ATOM 675 CA ASN A 45 17.433 -0.850 5.026 1.00 0.00 C ATOM 676 C ASN A 45 16.018 -1.408 5.093 1.00 0.00 C ATOM 677 O ASN A 45 15.793 -2.599 4.881 1.00 0.00 O ATOM 678 CB ASN A 45 18.451 -1.983 4.880 1.00 0.00 C ATOM 679 CG ASN A 45 19.169 -1.949 3.545 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.372 -2.200 3.468 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.436 -1.637 2.480 1.00 0.00 N ATOM 0 H ASN A 45 17.929 0.922 6.029 1.00 0.00 H new ATOM 0 HA ASN A 45 17.511 -0.205 4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.183 -1.915 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.943 -2.941 4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.868 -1.599 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.442 -1.436 2.586 1.00 0.00 H new ATOM 688 N SER A 46 15.066 -0.536 5.400 1.00 0.00 N ATOM 689 CA SER A 46 13.668 -0.938 5.506 1.00 0.00 C ATOM 690 C SER A 46 12.752 0.042 4.778 1.00 0.00 C ATOM 691 O SER A 46 13.100 1.208 4.589 1.00 0.00 O ATOM 692 CB SER A 46 13.255 -1.041 6.976 1.00 0.00 C ATOM 693 OG SER A 46 12.278 -2.051 7.162 1.00 0.00 O ATOM 0 H SER A 46 15.236 0.454 5.580 1.00 0.00 H new ATOM 0 HA SER A 46 13.566 -1.915 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.130 -1.260 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.861 -0.083 7.314 1.00 0.00 H new ATOM 0 HG SER A 46 12.032 -2.098 8.110 1.00 0.00 H new ATOM 699 N PHE A 47 11.581 -0.440 4.376 1.00 0.00 N ATOM 700 CA PHE A 47 10.610 0.390 3.671 1.00 0.00 C ATOM 701 C PHE A 47 9.268 0.378 4.394 1.00 0.00 C ATOM 702 O PHE A 47 9.110 -0.296 5.412 1.00 0.00 O ATOM 703 CB PHE A 47 10.443 -0.099 2.232 1.00 0.00 C ATOM 704 CG PHE A 47 11.583 0.297 1.340 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.688 1.594 0.871 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.549 -0.624 0.976 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.735 1.969 0.053 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.603 -0.256 0.158 1.00 0.00 C ATOM 709 CZ PHE A 47 13.695 1.042 -0.304 1.00 0.00 C ATOM 0 H PHE A 47 11.281 -1.403 4.527 1.00 0.00 H new ATOM 0 HA PHE A 47 10.980 1.415 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.350 -1.185 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.515 0.301 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.941 2.323 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.480 -1.641 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.803 2.985 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.352 -0.983 -0.119 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.516 1.332 -0.943 1.00 0.00 H new ATOM 719 N ARG A 48 8.302 1.130 3.872 1.00 0.00 N ATOM 720 CA ARG A 48 6.983 1.198 4.490 1.00 0.00 C ATOM 721 C ARG A 48 5.964 1.859 3.567 1.00 0.00 C ATOM 722 O ARG A 48 6.321 2.626 2.672 1.00 0.00 O ATOM 723 CB ARG A 48 7.065 1.964 5.815 1.00 0.00 C ATOM 724 CG ARG A 48 5.711 2.285 6.431 1.00 0.00 C ATOM 725 CD ARG A 48 5.859 3.117 7.695 1.00 0.00 C ATOM 726 NE ARG A 48 6.204 2.298 8.854 1.00 0.00 N ATOM 727 CZ ARG A 48 6.057 2.699 10.114 1.00 0.00 C ATOM 728 NH1 ARG A 48 5.571 3.905 10.383 1.00 0.00 N ATOM 729 NH2 ARG A 48 6.397 1.892 11.110 1.00 0.00 N ATOM 0 H ARG A 48 8.407 1.696 3.030 1.00 0.00 H new ATOM 0 HA ARG A 48 6.649 0.178 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.646 1.377 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.608 2.895 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.100 2.825 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.186 1.358 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.630 3.873 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.927 3.647 7.891 1.00 0.00 H new ATOM 0 HE ARG A 48 6.579 1.364 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.308 4.530 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.461 4.206 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.771 0.964 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.285 2.199 12.076 1.00 0.00 H new ATOM 743 N VAL A 49 4.691 1.562 3.807 1.00 0.00 N ATOM 744 CA VAL A 49 3.605 2.127 3.023 1.00 0.00 C ATOM 745 C VAL A 49 2.663 2.915 3.927 1.00 0.00 C ATOM 746 O VAL A 49 2.172 2.397 4.929 1.00 0.00 O ATOM 747 CB VAL A 49 2.813 1.028 2.286 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.614 0.491 1.112 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.439 -0.097 3.241 1.00 0.00 C ATOM 0 H VAL A 49 4.387 0.927 4.545 1.00 0.00 H new ATOM 0 HA VAL A 49 4.042 2.792 2.278 1.00 0.00 H new ATOM 0 HB VAL A 49 1.893 1.468 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.040 -0.284 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.826 1.302 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.552 0.069 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.881 -0.862 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.345 -0.536 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.823 0.300 4.048 1.00 0.00 H new ATOM 759 N VAL A 50 2.427 4.174 3.579 1.00 0.00 N ATOM 760 CA VAL A 50 1.558 5.032 4.377 1.00 0.00 C ATOM 761 C VAL A 50 0.565 5.779 3.499 1.00 0.00 C ATOM 762 O VAL A 50 0.953 6.458 2.551 1.00 0.00 O ATOM 763 CB VAL A 50 2.376 6.053 5.193 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.533 6.643 6.311 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.637 5.411 5.754 1.00 0.00 C ATOM 0 H VAL A 50 2.823 4.623 2.753 1.00 0.00 H new ATOM 0 HA VAL A 50 1.013 4.382 5.061 1.00 0.00 H new ATOM 0 HB VAL A 50 2.674 6.861 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.128 7.361 6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.665 7.146 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.201 5.846 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.198 6.150 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.364 4.580 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.253 5.042 4.934 1.00 0.00 H new ATOM 775 N GLY A 51 -0.717 5.651 3.820 1.00 0.00 N ATOM 776 CA GLY A 51 -1.741 6.323 3.043 1.00 0.00 C ATOM 777 C GLY A 51 -2.848 6.892 3.902 1.00 0.00 C ATOM 778 O GLY A 51 -3.198 6.321 4.934 1.00 0.00 O ATOM 0 H GLY A 51 -1.065 5.096 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.284 7.128 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.167 5.620 2.327 1.00 0.00 H new ATOM 782 N ARG A 52 -3.400 8.021 3.471 1.00 0.00 N ATOM 783 CA ARG A 52 -4.476 8.674 4.208 1.00 0.00 C ATOM 784 C ARG A 52 -5.673 8.951 3.304 1.00 0.00 C ATOM 785 O ARG A 52 -5.524 9.131 2.095 1.00 0.00 O ATOM 786 CB ARG A 52 -3.979 9.979 4.829 1.00 0.00 C ATOM 787 CG ARG A 52 -3.502 10.998 3.806 1.00 0.00 C ATOM 788 CD ARG A 52 -4.130 12.363 4.039 1.00 0.00 C ATOM 789 NE ARG A 52 -3.524 13.395 3.202 1.00 0.00 N ATOM 790 CZ ARG A 52 -2.360 13.982 3.474 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.676 13.642 4.560 1.00 0.00 N ATOM 792 NH2 ARG A 52 -1.880 14.911 2.659 1.00 0.00 N ATOM 0 H ARG A 52 -3.121 8.503 2.616 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.795 7.999 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.782 10.419 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.162 9.757 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.416 11.083 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.749 10.650 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.199 12.310 3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.022 12.637 5.088 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.022 13.683 2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.042 12.928 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.785 14.095 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.402 15.176 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.988 15.361 2.867 1.00 0.00 H new ATOM 806 N LYS A 53 -6.860 8.984 3.903 1.00 0.00 N ATOM 807 CA LYS A 53 -8.089 9.239 3.160 1.00 0.00 C ATOM 808 C LYS A 53 -7.997 10.550 2.389 1.00 0.00 C ATOM 809 O LYS A 53 -7.193 11.422 2.717 1.00 0.00 O ATOM 810 CB LYS A 53 -9.284 9.285 4.113 1.00 0.00 C ATOM 811 CG LYS A 53 -9.824 7.913 4.483 1.00 0.00 C ATOM 812 CD LYS A 53 -10.735 7.363 3.399 1.00 0.00 C ATOM 813 CE LYS A 53 -11.272 5.990 3.767 1.00 0.00 C ATOM 814 NZ LYS A 53 -11.988 6.005 5.073 1.00 0.00 N ATOM 0 H LYS A 53 -6.996 8.837 4.903 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.227 8.426 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.991 9.808 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.082 9.868 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.994 7.226 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.373 7.978 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.567 8.049 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.187 7.301 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.949 5.644 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.448 5.278 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.550 5.135 5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.296 6.059 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.619 6.831 5.114 1.00 0.00 H new ATOM 828 N MET A 54 -8.830 10.684 1.364 1.00 0.00 N ATOM 829 CA MET A 54 -8.847 11.888 0.546 1.00 0.00 C ATOM 830 C MET A 54 -9.976 12.814 0.980 1.00 0.00 C ATOM 831 O MET A 54 -10.715 13.347 0.151 1.00 0.00 O ATOM 832 CB MET A 54 -8.999 11.524 -0.933 1.00 0.00 C ATOM 833 CG MET A 54 -8.254 10.258 -1.326 1.00 0.00 C ATOM 834 SD MET A 54 -7.941 10.158 -3.099 1.00 0.00 S ATOM 835 CE MET A 54 -6.666 11.401 -3.289 1.00 0.00 C ATOM 0 H MET A 54 -9.503 9.972 1.080 1.00 0.00 H new ATOM 0 HA MET A 54 -7.900 12.410 0.682 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.057 11.399 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.637 12.353 -1.542 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.305 10.218 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.833 9.389 -1.014 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.839 11.962 -4.207 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.691 12.081 -2.438 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.691 10.917 -3.338 1.00 0.00 H new ATOM 845 N GLN A 55 -10.103 12.997 2.289 1.00 0.00 N ATOM 846 CA GLN A 55 -11.140 13.855 2.850 1.00 0.00 C ATOM 847 C GLN A 55 -10.543 14.835 3.859 1.00 0.00 C ATOM 848 O GLN A 55 -9.425 14.644 4.334 1.00 0.00 O ATOM 849 CB GLN A 55 -12.232 13.014 3.520 1.00 0.00 C ATOM 850 CG GLN A 55 -11.732 11.696 4.093 1.00 0.00 C ATOM 851 CD GLN A 55 -12.625 11.164 5.199 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.183 11.932 5.982 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.762 9.845 5.267 1.00 0.00 N ATOM 0 H GLN A 55 -9.498 12.561 2.985 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.586 14.423 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.686 13.598 4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.016 12.808 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.670 10.957 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.722 11.832 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.280 9.247 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.349 9.430 5.990 1.00 0.00 H new ATOM 862 N PRO A 56 -11.287 15.902 4.200 1.00 0.00 N ATOM 863 CA PRO A 56 -10.827 16.913 5.157 1.00 0.00 C ATOM 864 C PRO A 56 -10.421 16.305 6.497 1.00 0.00 C ATOM 865 O PRO A 56 -9.655 16.903 7.253 1.00 0.00 O ATOM 866 CB PRO A 56 -12.042 17.837 5.332 1.00 0.00 C ATOM 867 CG PRO A 56 -13.199 17.088 4.759 1.00 0.00 C ATOM 868 CD PRO A 56 -12.629 16.209 3.685 1.00 0.00 C ATOM 0 HA PRO A 56 -9.937 17.429 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.208 18.072 6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.892 18.784 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.698 16.495 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.943 17.772 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.224 15.307 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.587 16.720 2.723 1.00 0.00 H new ATOM 876 N ASP A 57 -10.937 15.114 6.785 1.00 0.00 N ATOM 877 CA ASP A 57 -10.624 14.429 8.034 1.00 0.00 C ATOM 878 C ASP A 57 -9.166 13.981 8.059 1.00 0.00 C ATOM 879 O ASP A 57 -8.475 14.134 9.066 1.00 0.00 O ATOM 880 CB ASP A 57 -11.545 13.223 8.223 1.00 0.00 C ATOM 881 CG ASP A 57 -12.980 13.629 8.491 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.512 14.470 7.736 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.575 13.106 9.458 1.00 0.00 O ATOM 0 H ASP A 57 -11.573 14.604 6.171 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.783 15.130 8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.508 12.597 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.181 12.617 9.053 1.00 0.00 H new ATOM 888 N GLN A 58 -8.704 13.426 6.942 1.00 0.00 N ATOM 889 CA GLN A 58 -7.326 12.956 6.833 1.00 0.00 C ATOM 890 C GLN A 58 -7.059 11.814 7.809 1.00 0.00 C ATOM 891 O GLN A 58 -6.547 12.031 8.908 1.00 0.00 O ATOM 892 CB GLN A 58 -6.348 14.106 7.089 1.00 0.00 C ATOM 893 CG GLN A 58 -5.678 14.626 5.827 1.00 0.00 C ATOM 894 CD GLN A 58 -5.965 16.093 5.573 1.00 0.00 C ATOM 895 OE1 GLN A 58 -5.591 16.957 6.366 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.635 16.382 4.464 1.00 0.00 N ATOM 0 H GLN A 58 -9.263 13.291 6.100 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.176 12.583 5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.881 14.925 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.580 13.771 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.601 14.479 5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.018 14.040 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.926 15.634 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.859 17.352 4.242 1.00 0.00 H new ATOM 905 N GLN A 59 -7.405 10.599 7.398 1.00 0.00 N ATOM 906 CA GLN A 59 -7.202 9.420 8.232 1.00 0.00 C ATOM 907 C GLN A 59 -6.297 8.412 7.525 1.00 0.00 C ATOM 908 O GLN A 59 -6.546 8.045 6.377 1.00 0.00 O ATOM 909 CB GLN A 59 -8.553 8.776 8.572 1.00 0.00 C ATOM 910 CG GLN A 59 -8.451 7.336 9.057 1.00 0.00 C ATOM 911 CD GLN A 59 -9.600 6.945 9.964 1.00 0.00 C ATOM 912 OE1 GLN A 59 -10.643 6.366 9.382 1.00 0.00 O flip ATOM 913 NE2 GLN A 59 -9.551 7.159 11.176 1.00 0.00 N flip ATOM 0 H GLN A 59 -7.828 10.405 6.491 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.716 9.728 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.045 9.373 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.190 8.806 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.428 6.667 8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.510 7.202 9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.729 7.607 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.332 6.888 11.774 1.00 0.00 H new ATOM 922 N VAL A 60 -5.252 7.965 8.216 1.00 0.00 N ATOM 923 CA VAL A 60 -4.328 6.997 7.639 1.00 0.00 C ATOM 924 C VAL A 60 -4.990 5.627 7.519 1.00 0.00 C ATOM 925 O VAL A 60 -5.421 5.045 8.513 1.00 0.00 O ATOM 926 CB VAL A 60 -3.026 6.878 8.465 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.442 8.256 8.739 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.263 6.127 9.769 1.00 0.00 C ATOM 0 H VAL A 60 -5.026 8.255 9.167 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.064 7.359 6.645 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.308 6.305 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.526 8.154 9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.218 8.751 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.163 8.852 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.328 6.061 10.326 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.004 6.659 10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.627 5.123 9.550 1.00 0.00 H new ATOM 938 N VAL A 61 -5.076 5.123 6.294 1.00 0.00 N ATOM 939 CA VAL A 61 -5.695 3.827 6.048 1.00 0.00 C ATOM 940 C VAL A 61 -4.653 2.709 6.038 1.00 0.00 C ATOM 941 O VAL A 61 -4.978 1.542 6.255 1.00 0.00 O ATOM 942 CB VAL A 61 -6.485 3.824 4.718 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.320 5.091 4.589 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.553 3.676 3.524 1.00 0.00 C ATOM 0 H VAL A 61 -4.726 5.591 5.458 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.393 3.644 6.865 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.155 2.965 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.869 5.071 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.025 5.148 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.665 5.962 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.137 3.677 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.848 4.507 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.005 2.737 3.604 1.00 0.00 H new ATOM 954 N ILE A 62 -3.397 3.077 5.793 1.00 0.00 N ATOM 955 CA ILE A 62 -2.306 2.111 5.766 1.00 0.00 C ATOM 956 C ILE A 62 -1.076 2.681 6.459 1.00 0.00 C ATOM 957 O ILE A 62 -0.757 3.859 6.306 1.00 0.00 O ATOM 958 CB ILE A 62 -1.935 1.702 4.325 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.902 0.573 4.341 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.402 2.896 3.546 1.00 0.00 C ATOM 961 CD1 ILE A 62 -0.925 -0.284 3.095 1.00 0.00 C ATOM 0 H ILE A 62 -3.112 4.039 5.610 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.651 1.223 6.295 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.837 1.344 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.093 1.003 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.080 -0.059 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.147 2.585 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.165 3.674 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.512 3.286 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.167 -1.063 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.908 -0.743 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.717 0.336 2.223 1.00 0.00 H new ATOM 973 N ASN A 63 -0.391 1.843 7.224 1.00 0.00 N ATOM 974 CA ASN A 63 0.798 2.274 7.942 1.00 0.00 C ATOM 975 C ASN A 63 1.595 1.074 8.445 1.00 0.00 C ATOM 976 O ASN A 63 1.667 0.819 9.647 1.00 0.00 O ATOM 977 CB ASN A 63 0.397 3.181 9.110 1.00 0.00 C ATOM 978 CG ASN A 63 -0.509 2.482 10.104 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.044 1.873 11.067 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.816 2.571 9.877 1.00 0.00 N ATOM 0 H ASN A 63 -0.638 0.863 7.363 1.00 0.00 H new ATOM 0 HA ASN A 63 1.435 2.835 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.295 3.526 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.109 4.065 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.476 2.124 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.159 3.086 9.066 1.00 0.00 H new ATOM 987 N CYS A 64 2.194 0.337 7.511 1.00 0.00 N ATOM 988 CA CYS A 64 2.985 -0.840 7.855 1.00 0.00 C ATOM 989 C CYS A 64 4.297 -0.859 7.077 1.00 0.00 C ATOM 990 O CYS A 64 4.324 -0.570 5.881 1.00 0.00 O ATOM 991 CB CYS A 64 2.191 -2.115 7.570 1.00 0.00 C ATOM 992 SG CYS A 64 1.619 -2.263 5.862 1.00 0.00 S ATOM 0 H CYS A 64 2.146 0.535 6.512 1.00 0.00 H new ATOM 0 HA CYS A 64 3.215 -0.795 8.920 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.812 -2.978 7.810 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.328 -2.149 8.235 1.00 0.00 H new ATOM 0 HG CYS A 64 0.413 -2.748 5.849 1.00 0.00 H new ATOM 998 N ALA A 65 5.385 -1.197 7.763 1.00 0.00 N ATOM 999 CA ALA A 65 6.700 -1.247 7.135 1.00 0.00 C ATOM 1000 C ALA A 65 6.896 -2.543 6.357 1.00 0.00 C ATOM 1001 O ALA A 65 6.522 -3.619 6.823 1.00 0.00 O ATOM 1002 CB ALA A 65 7.794 -1.098 8.182 1.00 0.00 C ATOM 0 H ALA A 65 5.381 -1.440 8.754 1.00 0.00 H new ATOM 0 HA ALA A 65 6.763 -0.417 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.769 -1.137 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.681 -0.142 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.716 -1.908 8.907 1.00 0.00 H new ATOM 1008 N ILE A 66 7.498 -2.436 5.176 1.00 0.00 N ATOM 1009 CA ILE A 66 7.756 -3.606 4.349 1.00 0.00 C ATOM 1010 C ILE A 66 9.249 -3.869 4.236 1.00 0.00 C ATOM 1011 O ILE A 66 10.070 -3.031 4.609 1.00 0.00 O ATOM 1012 CB ILE A 66 7.168 -3.473 2.928 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.149 -2.016 2.469 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.767 -4.063 2.877 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.116 -1.881 0.964 1.00 0.00 C ATOM 0 H ILE A 66 7.814 -1.554 4.773 1.00 0.00 H new ATOM 0 HA ILE A 66 7.262 -4.441 4.846 1.00 0.00 H new ATOM 0 HB ILE A 66 7.810 -4.030 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.278 -1.516 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.030 -1.505 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.366 -3.962 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.807 -5.118 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.123 -3.533 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.104 -0.825 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.000 -2.355 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.221 -2.366 0.575 1.00 0.00 H new ATOM 1027 N VAL A 67 9.592 -5.040 3.721 1.00 0.00 N ATOM 1028 CA VAL A 67 10.984 -5.425 3.557 1.00 0.00 C ATOM 1029 C VAL A 67 11.120 -6.483 2.469 1.00 0.00 C ATOM 1030 O VAL A 67 10.156 -6.784 1.764 1.00 0.00 O ATOM 1031 CB VAL A 67 11.569 -5.961 4.879 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.659 -4.846 5.913 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.730 -7.117 5.402 1.00 0.00 C ATOM 0 H VAL A 67 8.922 -5.742 3.408 1.00 0.00 H new ATOM 0 HA VAL A 67 11.543 -4.536 3.264 1.00 0.00 H new ATOM 0 HB VAL A 67 12.577 -6.330 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.074 -5.242 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.304 -4.052 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.663 -4.445 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.157 -7.483 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.710 -6.776 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.721 -7.922 4.667 1.00 0.00 H new ATOM 1043 N ARG A 68 12.314 -7.047 2.334 1.00 0.00 N ATOM 1044 CA ARG A 68 12.565 -8.073 1.331 1.00 0.00 C ATOM 1045 C ARG A 68 11.659 -9.279 1.569 1.00 0.00 C ATOM 1046 O ARG A 68 12.071 -10.253 2.200 1.00 0.00 O ATOM 1047 CB ARG A 68 14.035 -8.506 1.380 1.00 0.00 C ATOM 1048 CG ARG A 68 14.354 -9.729 0.531 1.00 0.00 C ATOM 1049 CD ARG A 68 15.471 -10.556 1.144 1.00 0.00 C ATOM 1050 NE ARG A 68 16.171 -11.357 0.142 1.00 0.00 N ATOM 1051 CZ ARG A 68 16.990 -12.363 0.437 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.214 -12.697 1.703 1.00 0.00 N ATOM 1053 NH2 ARG A 68 17.586 -13.041 -0.535 1.00 0.00 N ATOM 0 H ARG A 68 13.124 -6.811 2.907 1.00 0.00 H new ATOM 0 HA ARG A 68 12.348 -7.660 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.658 -7.675 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.306 -8.715 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.460 -10.344 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.642 -9.412 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.181 -9.895 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.058 -11.213 1.910 1.00 0.00 H new ATOM 0 HE ARG A 68 16.023 -11.131 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.757 -12.181 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.843 -13.469 1.923 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.416 -12.791 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.214 -13.812 -0.308 1.00 0.00 H new ATOM 1067 N GLY A 69 10.427 -9.214 1.071 1.00 0.00 N ATOM 1068 CA GLY A 69 9.509 -10.320 1.263 1.00 0.00 C ATOM 1069 C GLY A 69 8.167 -10.118 0.588 1.00 0.00 C ATOM 1070 O GLY A 69 7.544 -11.084 0.147 1.00 0.00 O ATOM 0 H GLY A 69 10.053 -8.425 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.966 -11.232 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.350 -10.469 2.331 1.00 0.00 H new ATOM 1074 N VAL A 70 7.704 -8.872 0.508 1.00 0.00 N ATOM 1075 CA VAL A 70 6.420 -8.593 -0.116 1.00 0.00 C ATOM 1076 C VAL A 70 6.550 -8.512 -1.636 1.00 0.00 C ATOM 1077 O VAL A 70 7.449 -7.858 -2.162 1.00 0.00 O ATOM 1078 CB VAL A 70 5.801 -7.289 0.436 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.825 -6.679 -0.549 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.100 -7.555 1.753 1.00 0.00 C ATOM 0 H VAL A 70 8.194 -8.051 0.864 1.00 0.00 H new ATOM 0 HA VAL A 70 5.754 -9.420 0.129 1.00 0.00 H new ATOM 0 HB VAL A 70 6.613 -6.580 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.408 -5.764 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.344 -6.448 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.020 -7.386 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.669 -6.627 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.308 -8.288 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.818 -7.941 2.476 1.00 0.00 H new ATOM 1090 N LYS A 71 5.636 -9.185 -2.330 1.00 0.00 N ATOM 1091 CA LYS A 71 5.630 -9.196 -3.787 1.00 0.00 C ATOM 1092 C LYS A 71 4.309 -8.655 -4.323 1.00 0.00 C ATOM 1093 O LYS A 71 3.280 -9.327 -4.261 1.00 0.00 O ATOM 1094 CB LYS A 71 5.865 -10.615 -4.310 1.00 0.00 C ATOM 1095 CG LYS A 71 6.189 -10.670 -5.795 1.00 0.00 C ATOM 1096 CD LYS A 71 5.050 -11.285 -6.595 1.00 0.00 C ATOM 1097 CE LYS A 71 4.721 -10.458 -7.827 1.00 0.00 C ATOM 1098 NZ LYS A 71 5.884 -10.347 -8.749 1.00 0.00 N ATOM 0 H LYS A 71 4.888 -9.731 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 71 6.437 -8.552 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.683 -11.069 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.976 -11.216 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.390 -9.663 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.098 -11.252 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.322 -12.297 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.165 -11.367 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.882 -10.911 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.404 -9.461 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.582 -9.894 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.628 -9.773 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.256 -11.296 -8.955 1.00 0.00 H new ATOM 1112 N TYR A 72 4.344 -7.433 -4.843 1.00 0.00 N ATOM 1113 CA TYR A 72 3.151 -6.792 -5.386 1.00 0.00 C ATOM 1114 C TYR A 72 2.476 -7.674 -6.433 1.00 0.00 C ATOM 1115 O TYR A 72 2.946 -7.784 -7.565 1.00 0.00 O ATOM 1116 CB TYR A 72 3.520 -5.439 -6.002 1.00 0.00 C ATOM 1117 CG TYR A 72 3.170 -4.257 -5.126 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.230 -4.357 -3.742 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.789 -3.041 -5.683 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.919 -3.282 -2.936 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.475 -1.959 -4.882 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.542 -2.085 -3.509 1.00 0.00 C ATOM 1123 OH TYR A 72 2.238 -1.014 -2.705 1.00 0.00 O ATOM 0 H TYR A 72 5.189 -6.864 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 72 2.447 -6.639 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.590 -5.423 -6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.010 -5.334 -6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.525 -5.292 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.738 -2.941 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.970 -3.377 -1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.179 -1.021 -5.328 1.00 0.00 H new ATOM 0 HH TYR A 72 1.753 -0.341 -3.226 1.00 0.00 H new ATOM 1133 N ASN A 73 1.368 -8.296 -6.045 1.00 0.00 N ATOM 1134 CA ASN A 73 0.621 -9.164 -6.948 1.00 0.00 C ATOM 1135 C ASN A 73 -0.495 -8.387 -7.639 1.00 0.00 C ATOM 1136 O ASN A 73 -1.585 -8.229 -7.090 1.00 0.00 O ATOM 1137 CB ASN A 73 0.035 -10.352 -6.181 1.00 0.00 C ATOM 1138 CG ASN A 73 0.188 -11.658 -6.934 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.095 -11.815 -7.752 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -0.702 -12.606 -6.662 1.00 0.00 N ATOM 0 H ASN A 73 0.967 -8.215 -5.111 1.00 0.00 H new ATOM 0 HA ASN A 73 1.307 -9.538 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.528 -10.434 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.022 -10.170 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.650 -13.506 -7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.438 -12.433 -5.977 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.212 -7.901 -8.843 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.189 -7.134 -9.609 1.00 0.00 C ATOM 1149 C GLN A 74 -2.462 -7.942 -9.841 1.00 0.00 C ATOM 1150 O GLN A 74 -2.604 -8.617 -10.861 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.591 -6.704 -10.950 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.462 -5.723 -11.717 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.874 -6.248 -13.080 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -3.069 -6.822 -13.156 1.00 0.00 O flip ATOM 1155 NE2 GLN A 74 -1.127 -6.138 -14.051 1.00 0.00 N flip ATOM 0 H GLN A 74 0.686 -8.024 -9.310 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.448 -6.246 -9.032 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.385 -6.251 -10.775 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.426 -7.589 -11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.355 -5.502 -11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.922 -4.784 -11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.217 -5.689 -13.946 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.418 -6.495 -14.961 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.386 -7.863 -8.888 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.651 -8.581 -8.988 1.00 0.00 C ATOM 1166 C ALA A 75 -5.417 -8.163 -10.237 1.00 0.00 C ATOM 1167 O ALA A 75 -6.031 -8.990 -10.911 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.492 -8.334 -7.744 1.00 0.00 C ATOM 0 H ALA A 75 -3.282 -7.309 -8.038 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.436 -9.647 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.435 -8.875 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.951 -8.683 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.693 -7.267 -7.647 1.00 0.00 H new ATOM 1174 N THR A 76 -5.370 -6.871 -10.538 1.00 0.00 N ATOM 1175 CA THR A 76 -6.053 -6.324 -11.705 1.00 0.00 C ATOM 1176 C THR A 76 -5.337 -5.068 -12.195 1.00 0.00 C ATOM 1177 O THR A 76 -4.571 -4.456 -11.449 1.00 0.00 O ATOM 1178 CB THR A 76 -7.512 -5.997 -11.364 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.606 -4.746 -10.707 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.169 -7.032 -10.476 1.00 0.00 C ATOM 0 H THR A 76 -4.863 -6.179 -9.987 1.00 0.00 H new ATOM 0 HA THR A 76 -6.037 -7.071 -12.498 1.00 0.00 H new ATOM 0 HB THR A 76 -8.033 -5.981 -12.321 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.545 -4.555 -10.500 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.199 -6.738 -10.275 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.160 -8.000 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.622 -7.105 -9.536 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.572 -4.659 -13.456 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.944 -3.469 -14.033 1.00 0.00 C ATOM 1190 C PRO A 77 -4.936 -2.289 -13.065 1.00 0.00 C ATOM 1191 O PRO A 77 -4.057 -1.428 -13.127 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.813 -3.155 -15.265 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.930 -4.151 -15.253 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.459 -5.310 -14.422 1.00 0.00 C ATOM 0 HA PRO A 77 -3.896 -3.643 -14.275 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.199 -2.137 -15.220 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.230 -3.235 -16.183 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.835 -3.714 -14.831 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.173 -4.473 -16.265 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.287 -5.823 -13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.933 -6.053 -15.021 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.916 -2.258 -12.168 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.018 -1.188 -11.183 1.00 0.00 C ATOM 1204 C ASN A 78 -6.164 -1.761 -9.774 1.00 0.00 C ATOM 1205 O ASN A 78 -7.135 -1.473 -9.074 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.206 -0.281 -11.507 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.525 -1.030 -11.502 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.782 -1.863 -12.371 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.369 -0.735 -10.520 1.00 0.00 N ATOM 0 H ASN A 78 -6.651 -2.962 -12.103 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.102 -0.599 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.249 0.530 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.055 0.176 -12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.272 -1.206 -10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.114 -0.037 -9.821 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.192 -2.572 -9.364 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.216 -3.182 -8.039 1.00 0.00 C ATOM 1218 C PHE A 79 -3.859 -3.786 -7.686 1.00 0.00 C ATOM 1219 O PHE A 79 -3.426 -4.762 -8.297 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.298 -4.263 -7.971 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.953 -4.382 -6.623 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.334 -5.072 -5.592 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.192 -3.806 -6.388 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.938 -5.184 -4.352 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.799 -3.915 -5.153 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.173 -4.605 -4.134 1.00 0.00 C ATOM 0 H PHE A 79 -4.380 -2.821 -9.929 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.443 -2.400 -7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.062 -4.047 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.856 -5.224 -8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.369 -5.527 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.688 -3.266 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.445 -5.723 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.764 -3.460 -4.984 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.648 -4.692 -3.168 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.197 -3.203 -6.689 1.00 0.00 N ATOM 1237 CA HIS A 80 -1.895 -3.692 -6.248 1.00 0.00 C ATOM 1238 C HIS A 80 -1.998 -4.308 -4.859 1.00 0.00 C ATOM 1239 O HIS A 80 -2.068 -3.600 -3.854 1.00 0.00 O ATOM 1240 CB HIS A 80 -0.861 -2.567 -6.259 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.074 -2.512 -7.532 1.00 0.00 C ATOM 1242 ND1 HIS A 80 -0.064 -1.415 -8.369 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.720 -3.437 -8.120 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.699 -1.672 -9.417 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.188 -2.891 -9.289 1.00 0.00 N ATOM 0 H HIS A 80 -3.541 -2.393 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.567 -4.463 -6.945 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.367 -1.613 -6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.177 -2.700 -5.420 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.567 -0.543 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.944 -4.423 -7.740 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.890 -0.998 -10.239 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.023 -5.634 -4.817 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.136 -6.364 -3.562 1.00 0.00 C ATOM 1256 C GLN A 81 -0.821 -7.049 -3.207 1.00 0.00 C ATOM 1257 O GLN A 81 -0.005 -7.341 -4.079 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.263 -7.398 -3.676 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.230 -8.499 -2.622 1.00 0.00 C ATOM 1260 CD GLN A 81 -4.090 -9.688 -2.999 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.732 -10.836 -2.735 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -5.229 -9.421 -3.624 1.00 0.00 N ATOM 0 H GLN A 81 -1.966 -6.229 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.369 -5.658 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.220 -6.880 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.216 -7.858 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.201 -8.830 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.571 -8.095 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.487 -8.454 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.847 -10.182 -3.905 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.634 -7.320 -1.919 1.00 0.00 N ATOM 1272 CA TRP A 82 0.572 -7.994 -1.453 1.00 0.00 C ATOM 1273 C TRP A 82 0.353 -8.703 -0.124 1.00 0.00 C ATOM 1274 O TRP A 82 -0.467 -8.289 0.695 1.00 0.00 O ATOM 1275 CB TRP A 82 1.741 -7.017 -1.306 1.00 0.00 C ATOM 1276 CG TRP A 82 1.482 -5.872 -0.373 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.802 -5.812 0.954 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.869 -4.619 -0.695 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.428 -4.598 1.475 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.853 -3.848 0.483 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.332 -4.071 -1.863 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.322 -2.561 0.526 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.194 -2.793 -1.820 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.195 -2.051 -0.632 1.00 0.00 C ATOM 0 H TRP A 82 -1.299 -7.084 -1.183 1.00 0.00 H new ATOM 0 HA TRP A 82 0.815 -8.737 -2.213 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.614 -7.566 -0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.991 -6.618 -2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.280 -6.604 1.512 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.557 -4.303 2.443 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.328 -4.636 -2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.319 -1.987 1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.611 -2.360 -2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.613 -1.055 -0.631 1.00 0.00 H new ATOM 1295 N ARG A 83 1.123 -9.765 0.083 1.00 0.00 N ATOM 1296 CA ARG A 83 1.062 -10.540 1.312 1.00 0.00 C ATOM 1297 C ARG A 83 2.389 -10.416 2.049 1.00 0.00 C ATOM 1298 O ARG A 83 3.416 -10.910 1.581 1.00 0.00 O ATOM 1299 CB ARG A 83 0.758 -12.008 1.008 1.00 0.00 C ATOM 1300 CG ARG A 83 0.576 -12.863 2.251 1.00 0.00 C ATOM 1301 CD ARG A 83 -0.357 -14.035 1.991 1.00 0.00 C ATOM 1302 NE ARG A 83 0.371 -15.295 1.856 1.00 0.00 N ATOM 1303 CZ ARG A 83 0.961 -15.696 0.732 1.00 0.00 C ATOM 1304 NH1 ARG A 83 0.912 -14.941 -0.359 1.00 0.00 N ATOM 1305 NH2 ARG A 83 1.603 -16.856 0.696 1.00 0.00 N ATOM 0 H ARG A 83 1.803 -10.110 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 83 0.260 -10.152 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.147 -12.065 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.569 -12.422 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.545 -13.235 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.176 -12.251 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.074 -14.116 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.930 -13.848 1.083 1.00 0.00 H new ATOM 0 HE ARG A 83 0.431 -15.904 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.420 -14.048 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.366 -15.254 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.645 -17.442 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.055 -17.162 -0.166 1.00 0.00 H new ATOM 1319 N ASP A 84 2.373 -9.737 3.189 1.00 0.00 N ATOM 1320 CA ASP A 84 3.589 -9.531 3.962 1.00 0.00 C ATOM 1321 C ASP A 84 3.759 -10.612 5.032 1.00 0.00 C ATOM 1322 O ASP A 84 4.357 -11.656 4.774 1.00 0.00 O ATOM 1323 CB ASP A 84 3.577 -8.127 4.584 1.00 0.00 C ATOM 1324 CG ASP A 84 4.597 -7.955 5.696 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.679 -8.572 5.608 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.312 -7.205 6.653 1.00 0.00 O ATOM 0 H ASP A 84 1.535 -9.322 3.597 1.00 0.00 H new ATOM 0 HA ASP A 84 4.445 -9.609 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.771 -7.390 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.582 -7.920 4.978 1.00 0.00 H new ATOM 1331 N ALA A 85 3.239 -10.361 6.229 1.00 0.00 N ATOM 1332 CA ALA A 85 3.348 -11.322 7.321 1.00 0.00 C ATOM 1333 C ALA A 85 2.325 -12.441 7.172 1.00 0.00 C ATOM 1334 O ALA A 85 2.679 -13.591 6.913 1.00 0.00 O ATOM 1335 CB ALA A 85 3.175 -10.622 8.661 1.00 0.00 C ATOM 0 H ALA A 85 2.740 -9.504 6.467 1.00 0.00 H new ATOM 0 HA ALA A 85 4.342 -11.766 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.259 -11.352 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.948 -9.863 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.194 -10.149 8.701 1.00 0.00 H new ATOM 1341 N ARG A 86 1.056 -12.093 7.335 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.027 -13.067 7.218 1.00 0.00 C ATOM 1343 C ARG A 86 -1.296 -12.434 6.650 1.00 0.00 C ATOM 1344 O ARG A 86 -2.287 -13.127 6.411 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.332 -13.696 8.578 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.452 -14.726 8.533 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.084 -15.988 9.299 1.00 0.00 C ATOM 1348 NE ARG A 86 -1.733 -16.044 10.607 1.00 0.00 N ATOM 1349 CZ ARG A 86 -2.989 -16.443 10.797 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -3.736 -16.820 9.766 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -3.500 -16.465 12.021 1.00 0.00 N ATOM 0 H ARG A 86 0.748 -11.144 7.549 1.00 0.00 H new ATOM 0 HA ARG A 86 0.307 -13.841 6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.572 -14.170 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.602 -12.908 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.360 -14.295 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.672 -14.980 7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.370 -16.863 8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.003 -16.031 9.429 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.191 -15.760 11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.348 -16.805 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.698 -17.125 9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.931 -16.176 12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.462 -16.771 12.167 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.269 -11.124 6.430 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.420 -10.421 5.888 1.00 0.00 C ATOM 1367 C GLN A 87 -2.183 -10.065 4.430 1.00 0.00 C ATOM 1368 O GLN A 87 -1.128 -10.367 3.870 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.701 -9.153 6.697 1.00 0.00 C ATOM 1370 CG GLN A 87 -2.971 -9.414 8.169 1.00 0.00 C ATOM 1371 CD GLN A 87 -3.162 -8.136 8.962 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -4.153 -7.975 9.674 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -2.209 -7.218 8.842 1.00 0.00 N ATOM 0 H GLN A 87 -0.462 -10.530 6.619 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.287 -11.078 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.849 -8.479 6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.560 -8.640 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.862 -10.035 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.141 -9.979 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.404 -7.394 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.282 -6.337 9.352 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.164 -9.419 3.820 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.056 -9.019 2.427 1.00 0.00 C ATOM 1384 C VAL A 88 -3.574 -7.601 2.237 1.00 0.00 C ATOM 1385 O VAL A 88 -4.753 -7.324 2.454 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.829 -9.974 1.499 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.216 -9.977 0.109 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.858 -11.384 2.076 1.00 0.00 C ATOM 0 H VAL A 88 -4.043 -9.161 4.268 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.000 -9.061 2.161 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.856 -9.618 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.775 -10.657 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.254 -8.971 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.178 -10.305 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.409 -12.041 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.838 -11.752 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.347 -11.369 3.050 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.680 -6.704 1.843 1.00 0.00 N ATOM 1399 CA TRP A 89 -3.041 -5.309 1.637 1.00 0.00 C ATOM 1400 C TRP A 89 -3.407 -5.048 0.179 1.00 0.00 C ATOM 1401 O TRP A 89 -2.533 -4.878 -0.671 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.885 -4.404 2.061 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.658 -4.382 3.542 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.976 -5.307 4.282 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.112 -3.386 4.465 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.981 -4.947 5.608 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.672 -3.770 5.745 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.847 -2.205 4.331 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.944 -3.016 6.884 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.117 -1.458 5.462 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.666 -1.864 6.724 1.00 0.00 C ATOM 0 H TRP A 89 -1.700 -6.918 1.660 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.914 -5.086 2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.973 -4.737 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.083 -3.389 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.502 -6.192 3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.543 -5.469 6.366 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.197 -1.882 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.598 -3.329 7.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.686 -0.545 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.892 -1.257 7.588 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.707 -5.018 -0.101 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.171 -4.780 -1.455 1.00 0.00 C ATOM 1424 C GLY A 90 -5.461 -3.319 -1.725 1.00 0.00 C ATOM 1425 O GLY A 90 -6.313 -2.715 -1.076 1.00 0.00 O ATOM 0 H GLY A 90 -5.447 -5.155 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.418 -5.133 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.074 -5.364 -1.633 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.745 -2.747 -2.686 1.00 0.00 N ATOM 1430 CA LEU A 91 -4.923 -1.344 -3.036 1.00 0.00 C ATOM 1431 C LEU A 91 -5.711 -1.187 -4.329 1.00 0.00 C ATOM 1432 O LEU A 91 -5.199 -1.468 -5.412 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.562 -0.662 -3.192 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.019 0.009 -1.932 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.774 1.297 -1.647 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.098 -0.940 -0.747 1.00 0.00 C ATOM 0 H LEU A 91 -4.037 -3.233 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.484 -0.874 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.839 -1.405 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.638 0.088 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.971 0.260 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.374 1.762 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.659 1.980 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.831 1.075 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.707 -0.445 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.137 -1.224 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.507 -1.832 -0.955 1.00 0.00 H new ATOM 1448 N ASN A 92 -6.949 -0.717 -4.218 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.777 -0.506 -5.401 1.00 0.00 C ATOM 1450 C ASN A 92 -7.630 0.927 -5.894 1.00 0.00 C ATOM 1451 O ASN A 92 -8.121 1.867 -5.273 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.247 -0.801 -5.109 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.018 -1.203 -6.357 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -9.679 -0.601 -7.500 1.00 0.00 O flip ATOM 1455 ND2 ASN A 92 -10.910 -2.048 -6.298 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.397 -0.477 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.437 -1.194 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.314 -1.600 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.711 0.081 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.140 -2.486 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.420 -2.311 -7.141 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.939 1.077 -7.013 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.700 2.385 -7.602 1.00 0.00 C ATOM 1464 C PHE A 93 -7.917 2.907 -8.351 1.00 0.00 C ATOM 1465 O PHE A 93 -8.821 2.150 -8.703 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.506 2.309 -8.541 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.279 1.743 -7.888 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.471 2.536 -7.088 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.942 0.413 -8.064 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.351 2.011 -6.479 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.822 -0.116 -7.458 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.025 0.684 -6.664 1.00 0.00 C ATOM 0 H PHE A 93 -6.531 0.302 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.494 3.083 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.768 1.695 -9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.283 3.308 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.721 3.576 -6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.563 -0.218 -8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.729 2.639 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.568 -1.156 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.148 0.271 -6.188 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.922 4.213 -8.590 1.00 0.00 N ATOM 1483 CA GLY A 94 -9.023 4.835 -9.300 1.00 0.00 C ATOM 1484 C GLY A 94 -8.742 4.987 -10.781 1.00 0.00 C ATOM 1485 O GLY A 94 -9.662 4.985 -11.599 1.00 0.00 O ATOM 0 H GLY A 94 -7.181 4.853 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.924 4.237 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.223 5.816 -8.868 1.00 0.00 H new ATOM 1489 N SER A 95 -7.465 5.116 -11.126 1.00 0.00 N ATOM 1490 CA SER A 95 -7.059 5.267 -12.518 1.00 0.00 C ATOM 1491 C SER A 95 -5.855 4.384 -12.829 1.00 0.00 C ATOM 1492 O SER A 95 -5.168 3.913 -11.922 1.00 0.00 O ATOM 1493 CB SER A 95 -6.726 6.729 -12.820 1.00 0.00 C ATOM 1494 OG SER A 95 -7.873 7.433 -13.262 1.00 0.00 O ATOM 0 H SER A 95 -6.693 5.119 -10.460 1.00 0.00 H new ATOM 0 HA SER A 95 -7.891 4.955 -13.150 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.325 7.206 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.949 6.778 -13.583 1.00 0.00 H new ATOM 0 HG SER A 95 -7.634 8.365 -13.447 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.604 4.164 -14.115 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.482 3.336 -14.542 1.00 0.00 C ATOM 1502 C LYS A 96 -3.154 3.964 -14.132 1.00 0.00 C ATOM 1503 O LYS A 96 -2.189 3.259 -13.833 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.517 3.136 -16.059 1.00 0.00 C ATOM 1505 CG LYS A 96 -5.733 2.364 -16.542 1.00 0.00 C ATOM 1506 CD LYS A 96 -5.806 2.333 -18.061 1.00 0.00 C ATOM 1507 CE LYS A 96 -5.907 3.734 -18.642 1.00 0.00 C ATOM 1508 NZ LYS A 96 -6.947 4.547 -17.952 1.00 0.00 N ATOM 0 H LYS A 96 -6.161 4.547 -14.879 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.572 2.367 -14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.499 4.111 -16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.615 2.608 -16.369 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.695 1.345 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.638 2.821 -16.142 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.921 1.836 -18.459 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.669 1.745 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.941 4.233 -18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.141 3.670 -19.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.141 5.405 -18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.820 3.989 -17.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.607 4.815 -17.006 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.110 5.292 -14.120 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.897 6.012 -13.748 1.00 0.00 C ATOM 1524 C GLU A 97 -1.536 5.754 -12.291 1.00 0.00 C ATOM 1525 O GLU A 97 -0.414 5.352 -11.984 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.075 7.513 -13.986 1.00 0.00 C ATOM 1527 CG GLU A 97 -2.557 7.853 -15.386 1.00 0.00 C ATOM 1528 CD GLU A 97 -3.588 8.963 -15.394 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -3.209 10.129 -15.153 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -4.776 8.670 -15.644 1.00 0.00 O ATOM 0 H GLU A 97 -3.899 5.891 -14.363 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.082 5.648 -14.374 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.787 7.906 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.125 8.016 -13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.705 8.149 -15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.985 6.962 -15.845 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.492 5.980 -11.393 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.267 5.761 -9.968 1.00 0.00 C ATOM 1539 C ASP A 98 -1.635 4.394 -9.732 1.00 0.00 C ATOM 1540 O ASP A 98 -0.515 4.293 -9.231 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.585 5.867 -9.198 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.114 7.286 -9.146 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.348 8.191 -8.754 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.294 7.494 -9.498 1.00 0.00 O ATOM 0 H ASP A 98 -3.427 6.314 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.585 6.530 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.329 5.222 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.439 5.500 -8.182 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.361 3.348 -10.107 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.882 1.979 -9.952 1.00 0.00 C ATOM 1551 C ALA A 99 -0.439 1.833 -10.433 1.00 0.00 C ATOM 1552 O ALA A 99 0.356 1.116 -9.826 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.789 1.023 -10.709 1.00 0.00 C ATOM 0 H ALA A 99 -3.289 3.422 -10.523 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.904 1.732 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.424 0.003 -10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.803 1.095 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.791 1.285 -11.767 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.109 2.513 -11.528 1.00 0.00 N ATOM 1560 CA ALA A 100 1.237 2.450 -12.086 1.00 0.00 C ATOM 1561 C ALA A 100 2.233 3.226 -11.231 1.00 0.00 C ATOM 1562 O ALA A 100 3.418 2.893 -11.184 1.00 0.00 O ATOM 1563 CB ALA A 100 1.239 2.979 -13.513 1.00 0.00 C ATOM 0 H ALA A 100 -0.753 3.112 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 100 1.549 1.406 -12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.249 2.927 -13.919 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.570 2.375 -14.126 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.899 4.015 -13.518 1.00 0.00 H new ATOM 1569 N GLN A 101 1.749 4.264 -10.559 1.00 0.00 N ATOM 1570 CA GLN A 101 2.601 5.091 -9.711 1.00 0.00 C ATOM 1571 C GLN A 101 2.926 4.386 -8.397 1.00 0.00 C ATOM 1572 O GLN A 101 4.088 4.312 -7.988 1.00 0.00 O ATOM 1573 CB GLN A 101 1.924 6.432 -9.428 1.00 0.00 C ATOM 1574 CG GLN A 101 2.863 7.478 -8.850 1.00 0.00 C ATOM 1575 CD GLN A 101 3.965 7.868 -9.814 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.993 7.032 -9.906 1.00 0.00 O flip ATOM 1577 NE2 GLN A 101 3.894 8.907 -10.470 1.00 0.00 N flip ATOM 0 H GLN A 101 0.771 4.553 -10.584 1.00 0.00 H new ATOM 0 HA GLN A 101 3.535 5.265 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.493 6.814 -10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.099 6.273 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.290 8.365 -8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.308 7.094 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.085 9.520 -10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.644 9.155 -11.116 1.00 0.00 H new ATOM 1586 N PHE A 102 1.892 3.875 -7.733 1.00 0.00 N ATOM 1587 CA PHE A 102 2.067 3.184 -6.461 1.00 0.00 C ATOM 1588 C PHE A 102 3.133 2.097 -6.568 1.00 0.00 C ATOM 1589 O PHE A 102 4.085 2.071 -5.787 1.00 0.00 O ATOM 1590 CB PHE A 102 0.740 2.584 -5.991 1.00 0.00 C ATOM 1591 CG PHE A 102 0.713 2.272 -4.523 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.099 3.231 -3.602 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.305 1.027 -4.060 1.00 0.00 C ATOM 1594 CE1 PHE A 102 1.081 2.960 -2.249 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.284 0.754 -2.707 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.672 1.720 -1.800 1.00 0.00 C ATOM 0 H PHE A 102 0.926 3.927 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 102 2.402 3.915 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.067 3.280 -6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.544 1.671 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.418 4.203 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.002 0.267 -4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.387 3.717 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.036 -0.216 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.656 1.506 -0.742 1.00 0.00 H new ATOM 1606 N ALA A 103 2.975 1.209 -7.542 1.00 0.00 N ATOM 1607 CA ALA A 103 3.934 0.131 -7.749 1.00 0.00 C ATOM 1608 C ALA A 103 5.309 0.690 -8.085 1.00 0.00 C ATOM 1609 O ALA A 103 6.333 0.098 -7.746 1.00 0.00 O ATOM 1610 CB ALA A 103 3.462 -0.788 -8.859 1.00 0.00 C ATOM 0 H ALA A 103 2.195 1.214 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 103 4.009 -0.440 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.188 -1.588 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.497 -1.218 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.361 -0.220 -9.784 1.00 0.00 H new ATOM 1616 N ALA A 104 5.320 1.836 -8.759 1.00 0.00 N ATOM 1617 CA ALA A 104 6.566 2.489 -9.152 1.00 0.00 C ATOM 1618 C ALA A 104 7.556 2.523 -7.993 1.00 0.00 C ATOM 1619 O ALA A 104 8.600 1.865 -8.027 1.00 0.00 O ATOM 1620 CB ALA A 104 6.285 3.902 -9.644 1.00 0.00 C ATOM 0 H ALA A 104 4.477 2.334 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 104 7.011 1.911 -9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.221 4.379 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.616 3.862 -10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.816 4.478 -8.847 1.00 0.00 H new ATOM 1626 N GLY A 105 7.212 3.280 -6.961 1.00 0.00 N ATOM 1627 CA GLY A 105 8.073 3.373 -5.801 1.00 0.00 C ATOM 1628 C GLY A 105 8.206 2.046 -5.100 1.00 0.00 C ATOM 1629 O GLY A 105 9.289 1.671 -4.653 1.00 0.00 O ATOM 0 H GLY A 105 6.355 3.830 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.059 3.724 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.672 4.112 -5.108 1.00 0.00 H new ATOM 1633 N MET A 106 7.091 1.333 -5.010 1.00 0.00 N ATOM 1634 CA MET A 106 7.069 0.031 -4.368 1.00 0.00 C ATOM 1635 C MET A 106 8.157 -0.861 -4.941 1.00 0.00 C ATOM 1636 O MET A 106 9.032 -1.335 -4.219 1.00 0.00 O ATOM 1637 CB MET A 106 5.712 -0.628 -4.564 1.00 0.00 C ATOM 1638 CG MET A 106 5.643 -2.007 -3.952 1.00 0.00 C ATOM 1639 SD MET A 106 5.598 -1.950 -2.156 1.00 0.00 S ATOM 1640 CE MET A 106 5.855 -3.677 -1.799 1.00 0.00 C ATOM 0 H MET A 106 6.189 1.638 -5.376 1.00 0.00 H new ATOM 0 HA MET A 106 7.250 0.170 -3.302 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.939 0.001 -4.122 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.496 -0.696 -5.630 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.756 -2.522 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.506 -2.589 -4.274 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.979 -4.077 -1.288 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.012 -4.222 -2.730 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.731 -3.790 -1.161 1.00 0.00 H new ATOM 1650 N ALA A 107 8.095 -1.077 -6.250 1.00 0.00 N ATOM 1651 CA ALA A 107 9.081 -1.899 -6.939 1.00 0.00 C ATOM 1652 C ALA A 107 10.481 -1.523 -6.479 1.00 0.00 C ATOM 1653 O ALA A 107 11.344 -2.381 -6.301 1.00 0.00 O ATOM 1654 CB ALA A 107 8.949 -1.737 -8.446 1.00 0.00 C ATOM 0 H ALA A 107 7.370 -0.693 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 107 8.902 -2.946 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.693 -2.358 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.951 -2.044 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.108 -0.693 -8.715 1.00 0.00 H new ATOM 1660 N SER A 108 10.686 -0.225 -6.264 1.00 0.00 N ATOM 1661 CA SER A 108 11.969 0.274 -5.796 1.00 0.00 C ATOM 1662 C SER A 108 12.253 -0.255 -4.393 1.00 0.00 C ATOM 1663 O SER A 108 13.389 -0.601 -4.066 1.00 0.00 O ATOM 1664 CB SER A 108 11.980 1.803 -5.793 1.00 0.00 C ATOM 1665 OG SER A 108 13.299 2.305 -5.919 1.00 0.00 O ATOM 0 H SER A 108 9.979 0.496 -6.407 1.00 0.00 H new ATOM 0 HA SER A 108 12.748 -0.076 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.366 2.176 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.535 2.171 -4.869 1.00 0.00 H new ATOM 0 HG SER A 108 13.278 3.285 -5.916 1.00 0.00 H new ATOM 1671 N ALA A 109 11.206 -0.328 -3.571 1.00 0.00 N ATOM 1672 CA ALA A 109 11.338 -0.830 -2.207 1.00 0.00 C ATOM 1673 C ALA A 109 11.743 -2.297 -2.205 1.00 0.00 C ATOM 1674 O ALA A 109 12.723 -2.681 -1.572 1.00 0.00 O ATOM 1675 CB ALA A 109 10.036 -0.650 -1.439 1.00 0.00 C ATOM 0 H ALA A 109 10.260 -0.046 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 109 12.120 -0.253 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.156 -1.031 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.779 0.409 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.239 -1.199 -1.940 1.00 0.00 H new ATOM 1681 N LEU A 110 10.979 -3.109 -2.924 1.00 0.00 N ATOM 1682 CA LEU A 110 11.249 -4.539 -3.013 1.00 0.00 C ATOM 1683 C LEU A 110 12.572 -4.805 -3.725 1.00 0.00 C ATOM 1684 O LEU A 110 13.139 -5.891 -3.619 1.00 0.00 O ATOM 1685 CB LEU A 110 10.106 -5.247 -3.749 1.00 0.00 C ATOM 1686 CG LEU A 110 8.696 -4.789 -3.360 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.669 -5.297 -4.363 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.355 -5.256 -1.953 1.00 0.00 C ATOM 0 H LEU A 110 10.165 -2.801 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 110 11.322 -4.933 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.237 -5.096 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.186 -6.319 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 110 8.671 -3.699 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.675 -4.961 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.905 -4.908 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.691 -6.387 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.351 -4.922 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.398 -6.344 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.071 -4.836 -1.247 1.00 0.00 H new ATOM 1700 N GLU A 111 13.055 -3.807 -4.457 1.00 0.00 N ATOM 1701 CA GLU A 111 14.305 -3.933 -5.195 1.00 0.00 C ATOM 1702 C GLU A 111 15.480 -3.362 -4.414 1.00 0.00 C ATOM 1703 O GLU A 111 16.633 -3.722 -4.656 1.00 0.00 O ATOM 1704 CB GLU A 111 14.188 -3.216 -6.531 1.00 0.00 C ATOM 1705 CG GLU A 111 13.588 -4.084 -7.614 1.00 0.00 C ATOM 1706 CD GLU A 111 13.883 -3.571 -9.009 1.00 0.00 C ATOM 1707 OE1 GLU A 111 13.136 -2.692 -9.489 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.862 -4.047 -9.623 1.00 0.00 O ATOM 0 H GLU A 111 12.598 -2.900 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 111 14.490 -4.995 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.575 -2.324 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.177 -2.882 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.974 -5.098 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.509 -4.139 -7.473 1.00 0.00 H new ATOM 1715 N ALA A 112 15.181 -2.489 -3.468 1.00 0.00 N ATOM 1716 CA ALA A 112 16.213 -1.883 -2.640 1.00 0.00 C ATOM 1717 C ALA A 112 16.338 -2.647 -1.339 1.00 0.00 C ATOM 1718 O ALA A 112 17.190 -2.350 -0.501 1.00 0.00 O ATOM 1719 CB ALA A 112 15.895 -0.421 -2.368 1.00 0.00 C ATOM 0 H ALA A 112 14.232 -2.183 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 112 17.163 -1.929 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.679 0.013 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.838 0.121 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.939 -0.347 -1.849 1.00 0.00 H new ATOM 1725 N LEU A 113 15.469 -3.635 -1.179 1.00 0.00 N ATOM 1726 CA LEU A 113 15.456 -4.454 0.010 1.00 0.00 C ATOM 1727 C LEU A 113 15.884 -5.880 -0.326 1.00 0.00 C ATOM 1728 O LEU A 113 16.445 -6.584 0.512 1.00 0.00 O ATOM 1729 CB LEU A 113 14.052 -4.422 0.613 1.00 0.00 C ATOM 1730 CG LEU A 113 13.932 -3.733 1.979 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.300 -4.697 3.098 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.810 -2.487 2.039 1.00 0.00 C ATOM 0 H LEU A 113 14.760 -3.885 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 113 16.165 -4.064 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.387 -3.918 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.695 -5.447 0.711 1.00 0.00 H new ATOM 0 HG LEU A 113 12.895 -3.426 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.209 -4.191 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.628 -5.555 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.327 -5.037 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.708 -2.016 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.851 -2.767 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.500 -1.786 1.265 1.00 0.00 H new ATOM 1744 N GLU A 114 15.633 -6.288 -1.568 1.00 0.00 N ATOM 1745 CA GLU A 114 16.006 -7.619 -2.029 1.00 0.00 C ATOM 1746 C GLU A 114 17.431 -7.617 -2.573 1.00 0.00 C ATOM 1747 O GLU A 114 18.162 -8.597 -2.431 1.00 0.00 O ATOM 1748 CB GLU A 114 15.038 -8.102 -3.112 1.00 0.00 C ATOM 1749 CG GLU A 114 13.695 -8.567 -2.571 1.00 0.00 C ATOM 1750 CD GLU A 114 12.607 -8.561 -3.627 1.00 0.00 C ATOM 1751 OE1 GLU A 114 12.938 -8.717 -4.821 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.425 -8.399 -3.259 1.00 0.00 O ATOM 0 H GLU A 114 15.172 -5.713 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 114 15.954 -8.300 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.872 -7.294 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.501 -8.921 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.799 -9.574 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.397 -7.922 -1.744 1.00 0.00 H new ATOM 1759 N GLY A 115 17.820 -6.508 -3.197 1.00 0.00 N ATOM 1760 CA GLY A 115 19.156 -6.400 -3.753 1.00 0.00 C ATOM 1761 C GLY A 115 19.450 -7.483 -4.773 1.00 0.00 C ATOM 1762 O GLY A 115 20.465 -8.192 -4.609 1.00 0.00 O ATOM 1763 OXT GLY A 115 18.666 -7.620 -5.735 1.00 0.00 O ATOM 0 H GLY A 115 17.234 -5.684 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.273 -5.423 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.887 -6.457 -2.947 1.00 0.00 H new