USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -4.35! C(o=-4.3!,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -0.281 (180deg=-1.29!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= -2.75 (180deg=-5.65!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 27 SER OG : rot 25:sc= 0.252 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -2.4 (180deg=-3.05!) USER MOD Single : A 36 ASN : amide:sc= -4.14! C(o=-4.1!,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -0.17 (180deg=-0.753) USER MOD Single : A 64 GLN : amide:sc= -3.65! K(o=-3.6!,f=-0.1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 75 GLN : amide:sc= -2.65! C(o=-2.7!,f=-4.5!) USER MOD Single : A 76 ASN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= -0.918 (180deg=-2.54) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.205 -6.856 11.087 1.00 0.00 N ATOM 21 CA ASN A 2 -2.382 -5.790 11.643 1.00 0.00 C ATOM 22 C ASN A 2 -1.219 -5.455 10.718 1.00 0.00 C ATOM 23 O ASN A 2 -0.758 -4.317 10.662 1.00 0.00 O ATOM 24 CB ASN A 2 -1.849 -6.186 13.021 1.00 0.00 C ATOM 25 CG ASN A 2 -1.886 -7.685 13.247 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.548 -8.467 12.358 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.299 -8.093 14.441 1.00 0.00 N ATOM 0 HA ASN A 2 -3.010 -4.905 11.744 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.824 -5.831 13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.439 -5.691 13.792 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.346 -9.090 14.651 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.570 -7.409 15.148 1.00 0.00 H new ATOM 34 N ASP A 3 -0.741 -6.462 10.005 1.00 0.00 N ATOM 35 CA ASP A 3 0.380 -6.290 9.090 1.00 0.00 C ATOM 36 C ASP A 3 0.153 -5.132 8.122 1.00 0.00 C ATOM 37 O ASP A 3 1.107 -4.498 7.670 1.00 0.00 O ATOM 38 CB ASP A 3 0.622 -7.581 8.306 1.00 0.00 C ATOM 39 CG ASP A 3 -0.597 -8.483 8.285 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.647 -8.049 7.766 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.500 -9.622 8.786 1.00 0.00 O ATOM 0 H ASP A 3 -1.112 -7.411 10.041 1.00 0.00 H new ATOM 0 HA ASP A 3 1.259 -6.055 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.905 -7.334 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.461 -8.119 8.748 1.00 0.00 H new ATOM 46 N VAL A 4 -1.105 -4.871 7.792 1.00 0.00 N ATOM 47 CA VAL A 4 -1.438 -3.800 6.858 1.00 0.00 C ATOM 48 C VAL A 4 -1.225 -2.413 7.459 1.00 0.00 C ATOM 49 O VAL A 4 -0.496 -1.599 6.901 1.00 0.00 O ATOM 50 CB VAL A 4 -2.894 -3.911 6.372 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.114 -5.230 5.649 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.859 -3.760 7.536 1.00 0.00 C ATOM 0 H VAL A 4 -1.909 -5.383 8.154 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.758 -3.921 6.014 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.087 -3.102 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.149 -5.292 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.448 -5.289 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.903 -6.056 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.883 -3.841 7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.671 -4.545 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.716 -2.786 8.003 1.00 0.00 H new ATOM 62 N LEU A 5 -1.868 -2.138 8.589 1.00 0.00 N ATOM 63 CA LEU A 5 -1.737 -0.837 9.239 1.00 0.00 C ATOM 64 C LEU A 5 -0.337 -0.630 9.800 1.00 0.00 C ATOM 65 O LEU A 5 0.176 0.486 9.818 1.00 0.00 O ATOM 66 CB LEU A 5 -2.797 -0.648 10.335 1.00 0.00 C ATOM 67 CG LEU A 5 -2.826 -1.704 11.439 1.00 0.00 C ATOM 68 CD1 LEU A 5 -3.350 -3.017 10.893 1.00 0.00 C ATOM 69 CD2 LEU A 5 -1.447 -1.882 12.060 1.00 0.00 C ATOM 0 H LEU A 5 -2.482 -2.794 9.072 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.905 -0.078 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.640 0.326 10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.778 -0.622 9.861 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.500 -1.364 12.225 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.366 -3.762 11.689 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.360 -2.874 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.701 -3.361 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.495 -2.639 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.740 -2.198 11.293 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.117 -0.936 12.490 1.00 0.00 H new ATOM 81 N THR A 6 0.270 -1.706 10.271 1.00 0.00 N ATOM 82 CA THR A 6 1.608 -1.642 10.852 1.00 0.00 C ATOM 83 C THR A 6 2.650 -1.193 9.834 1.00 0.00 C ATOM 84 O THR A 6 3.357 -0.207 10.047 1.00 0.00 O ATOM 85 CB THR A 6 1.999 -3.005 11.421 1.00 0.00 C ATOM 86 OG1 THR A 6 3.394 -3.070 11.657 1.00 0.00 O ATOM 87 CG2 THR A 6 1.631 -4.151 10.508 1.00 0.00 C ATOM 0 H THR A 6 -0.141 -2.639 10.264 1.00 0.00 H new ATOM 0 HA THR A 6 1.581 -0.902 11.652 1.00 0.00 H new ATOM 0 HB THR A 6 1.441 -3.106 12.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.623 -3.950 12.022 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.934 -5.093 10.966 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.553 -4.156 10.347 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.140 -4.032 9.552 1.00 0.00 H new ATOM 95 N ARG A 7 2.744 -1.927 8.737 1.00 0.00 N ATOM 96 CA ARG A 7 3.700 -1.623 7.686 1.00 0.00 C ATOM 97 C ARG A 7 3.225 -0.457 6.834 1.00 0.00 C ATOM 98 O ARG A 7 3.995 0.447 6.508 1.00 0.00 O ATOM 99 CB ARG A 7 3.929 -2.852 6.805 1.00 0.00 C ATOM 100 CG ARG A 7 4.432 -2.518 5.411 1.00 0.00 C ATOM 101 CD ARG A 7 3.537 -3.114 4.336 1.00 0.00 C ATOM 102 NE ARG A 7 2.711 -4.201 4.854 1.00 0.00 N ATOM 103 CZ ARG A 7 3.199 -5.246 5.515 1.00 0.00 C ATOM 104 NH1 ARG A 7 4.502 -5.342 5.737 1.00 0.00 N ATOM 105 NH2 ARG A 7 2.383 -6.195 5.954 1.00 0.00 N ATOM 0 H ARG A 7 2.164 -2.745 8.551 1.00 0.00 H new ATOM 0 HA ARG A 7 4.641 -1.341 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.648 -3.509 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.995 -3.407 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.477 -1.436 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.448 -2.895 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.895 -2.335 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.152 -3.485 3.516 1.00 0.00 H new ATOM 0 HE ARG A 7 1.704 -4.156 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.132 -4.614 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.875 -6.144 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.380 -6.124 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.759 -6.996 6.461 1.00 0.00 H new ATOM 119 N VAL A 8 1.950 -0.490 6.468 1.00 0.00 N ATOM 120 CA VAL A 8 1.367 0.556 5.644 1.00 0.00 C ATOM 121 C VAL A 8 1.399 1.904 6.356 1.00 0.00 C ATOM 122 O VAL A 8 1.846 2.903 5.793 1.00 0.00 O ATOM 123 CB VAL A 8 -0.086 0.225 5.253 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.051 0.708 6.324 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.428 0.837 3.904 1.00 0.00 C ATOM 0 H VAL A 8 1.301 -1.232 6.730 1.00 0.00 H new ATOM 0 HA VAL A 8 1.972 0.614 4.739 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.183 -0.858 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.072 0.465 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.820 0.218 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.954 1.787 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.458 0.593 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.314 1.920 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.242 0.438 3.143 1.00 0.00 H new ATOM 135 N LEU A 9 0.925 1.926 7.598 1.00 0.00 N ATOM 136 CA LEU A 9 0.905 3.154 8.385 1.00 0.00 C ATOM 137 C LEU A 9 2.315 3.710 8.553 1.00 0.00 C ATOM 138 O LEU A 9 2.545 4.909 8.391 1.00 0.00 O ATOM 139 CB LEU A 9 0.283 2.899 9.760 1.00 0.00 C ATOM 140 CG LEU A 9 1.243 2.336 10.809 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.178 3.424 11.315 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.468 1.719 11.963 1.00 0.00 C ATOM 0 H LEU A 9 0.550 1.109 8.080 1.00 0.00 H new ATOM 0 HA LEU A 9 0.300 3.887 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.132 3.835 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.550 2.206 9.642 1.00 0.00 H new ATOM 0 HG LEU A 9 1.845 1.556 10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.854 3.005 12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.758 3.822 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.593 4.226 11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.167 1.323 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.158 2.480 12.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.160 0.911 11.588 1.00 0.00 H new ATOM 154 N GLU A 10 3.255 2.828 8.876 1.00 0.00 N ATOM 155 CA GLU A 10 4.643 3.224 9.063 1.00 0.00 C ATOM 156 C GLU A 10 5.237 3.722 7.753 1.00 0.00 C ATOM 157 O GLU A 10 6.080 4.619 7.735 1.00 0.00 O ATOM 158 CB GLU A 10 5.464 2.049 9.594 1.00 0.00 C ATOM 159 CG GLU A 10 5.574 0.894 8.613 1.00 0.00 C ATOM 160 CD GLU A 10 6.841 0.085 8.805 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.318 -0.007 9.955 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.356 -0.457 7.804 1.00 0.00 O ATOM 0 H GLU A 10 3.079 1.833 9.014 1.00 0.00 H new ATOM 0 HA GLU A 10 4.673 4.034 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.465 2.399 9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.012 1.689 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.709 0.241 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.546 1.283 7.595 1.00 0.00 H new ATOM 169 N VAL A 11 4.789 3.122 6.662 1.00 0.00 N ATOM 170 CA VAL A 11 5.265 3.483 5.335 1.00 0.00 C ATOM 171 C VAL A 11 5.005 4.950 5.027 1.00 0.00 C ATOM 172 O VAL A 11 5.920 5.701 4.688 1.00 0.00 O ATOM 173 CB VAL A 11 4.600 2.617 4.260 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.326 3.429 3.005 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.457 1.399 3.949 1.00 0.00 C ATOM 0 H VAL A 11 4.092 2.378 6.669 1.00 0.00 H new ATOM 0 HA VAL A 11 6.341 3.309 5.326 1.00 0.00 H new ATOM 0 HB VAL A 11 3.642 2.267 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.854 2.793 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.662 4.259 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.265 3.818 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.968 0.796 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.433 1.723 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.585 0.804 4.853 1.00 0.00 H new ATOM 185 N VAL A 12 3.750 5.348 5.150 1.00 0.00 N ATOM 186 CA VAL A 12 3.351 6.725 4.888 1.00 0.00 C ATOM 187 C VAL A 12 3.915 7.671 5.942 1.00 0.00 C ATOM 188 O VAL A 12 4.470 8.722 5.618 1.00 0.00 O ATOM 189 CB VAL A 12 1.818 6.870 4.853 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.162 5.534 4.538 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.305 7.428 6.171 1.00 0.00 C ATOM 0 H VAL A 12 2.985 4.735 5.431 1.00 0.00 H new ATOM 0 HA VAL A 12 3.756 6.990 3.911 1.00 0.00 H new ATOM 0 HB VAL A 12 1.555 7.572 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.079 5.656 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.506 5.180 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.431 4.807 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.220 7.524 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.578 6.753 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.749 8.408 6.349 1.00 0.00 H new ATOM 201 N LYS A 13 3.771 7.291 7.208 1.00 0.00 N ATOM 202 CA LYS A 13 4.267 8.108 8.307 1.00 0.00 C ATOM 203 C LYS A 13 5.743 8.433 8.112 1.00 0.00 C ATOM 204 O LYS A 13 6.153 9.590 8.215 1.00 0.00 O ATOM 205 CB LYS A 13 4.065 7.388 9.640 1.00 0.00 C ATOM 206 CG LYS A 13 5.132 6.348 9.938 1.00 0.00 C ATOM 207 CD LYS A 13 4.858 5.628 11.249 1.00 0.00 C ATOM 208 CE LYS A 13 4.655 6.610 12.392 1.00 0.00 C ATOM 209 NZ LYS A 13 5.708 6.472 13.435 1.00 0.00 N ATOM 0 H LYS A 13 3.316 6.425 7.496 1.00 0.00 H new ATOM 0 HA LYS A 13 3.702 9.040 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.053 8.125 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.088 6.904 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.172 5.623 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.109 6.830 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.972 5.003 11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.691 4.964 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.661 7.628 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.675 6.447 12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.534 7.158 14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.686 5.508 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.641 6.653 13.012 1.00 0.00 H new ATOM 223 N ASN A 14 6.537 7.406 7.824 1.00 0.00 N ATOM 224 CA ASN A 14 7.962 7.581 7.611 1.00 0.00 C ATOM 225 C ASN A 14 8.249 8.004 6.176 1.00 0.00 C ATOM 226 O ASN A 14 9.397 8.260 5.810 1.00 0.00 O ATOM 227 CB ASN A 14 8.712 6.288 7.935 1.00 0.00 C ATOM 228 CG ASN A 14 8.309 5.704 9.275 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.506 6.325 10.320 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.742 4.504 9.251 1.00 0.00 N ATOM 0 H ASN A 14 6.213 6.443 7.734 1.00 0.00 H new ATOM 0 HA ASN A 14 8.309 8.369 8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.522 5.555 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.784 6.484 7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.450 4.060 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.598 4.026 8.362 1.00 0.00 H new ATOM 237 N PHE A 15 7.198 8.081 5.366 1.00 0.00 N ATOM 238 CA PHE A 15 7.338 8.479 3.972 1.00 0.00 C ATOM 239 C PHE A 15 7.765 9.937 3.875 1.00 0.00 C ATOM 240 O PHE A 15 8.384 10.352 2.894 1.00 0.00 O ATOM 241 CB PHE A 15 6.022 8.267 3.220 1.00 0.00 C ATOM 242 CG PHE A 15 6.053 7.099 2.276 1.00 0.00 C ATOM 243 CD1 PHE A 15 6.890 6.020 2.513 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.246 7.081 1.149 1.00 0.00 C ATOM 245 CE1 PHE A 15 6.921 4.945 1.646 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.272 6.008 0.278 1.00 0.00 C ATOM 247 CZ PHE A 15 6.111 4.939 0.527 1.00 0.00 C ATOM 0 H PHE A 15 6.241 7.873 5.652 1.00 0.00 H new ATOM 0 HA PHE A 15 8.107 7.857 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.220 8.119 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.783 9.171 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.526 6.020 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.589 7.915 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.578 4.110 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.637 6.005 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.134 4.100 -0.152 1.00 0.00 H new ATOM 257 N GLU A 16 7.432 10.707 4.905 1.00 0.00 N ATOM 258 CA GLU A 16 7.778 12.123 4.955 1.00 0.00 C ATOM 259 C GLU A 16 6.541 12.997 4.775 1.00 0.00 C ATOM 260 O GLU A 16 6.587 14.206 4.997 1.00 0.00 O ATOM 261 CB GLU A 16 8.814 12.460 3.881 1.00 0.00 C ATOM 262 CG GLU A 16 8.211 12.704 2.509 1.00 0.00 C ATOM 263 CD GLU A 16 8.477 14.106 1.997 1.00 0.00 C ATOM 264 OE1 GLU A 16 8.409 15.057 2.805 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.753 14.254 0.788 1.00 0.00 O ATOM 0 H GLU A 16 6.920 10.372 5.721 1.00 0.00 H new ATOM 0 HA GLU A 16 8.205 12.327 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.368 13.347 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.533 11.643 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.618 11.980 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.135 12.535 2.554 1.00 0.00 H new ATOM 272 N LYS A 17 5.438 12.378 4.368 1.00 0.00 N ATOM 273 CA LYS A 17 4.193 13.103 4.157 1.00 0.00 C ATOM 274 C LYS A 17 3.642 13.643 5.473 1.00 0.00 C ATOM 275 O LYS A 17 3.291 14.820 5.572 1.00 0.00 O ATOM 276 CB LYS A 17 3.156 12.196 3.493 1.00 0.00 C ATOM 277 CG LYS A 17 2.789 12.624 2.081 1.00 0.00 C ATOM 278 CD LYS A 17 3.950 12.426 1.119 1.00 0.00 C ATOM 279 CE LYS A 17 4.872 13.634 1.103 1.00 0.00 C ATOM 280 NZ LYS A 17 4.128 14.897 0.846 1.00 0.00 N ATOM 0 H LYS A 17 5.382 11.377 4.178 1.00 0.00 H new ATOM 0 HA LYS A 17 4.404 13.947 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.541 11.177 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.254 12.180 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.929 12.050 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.492 13.673 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.515 11.539 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.565 12.247 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.392 13.707 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.634 13.499 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.660 15.482 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.193 14.674 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.011 15.419 1.738 1.00 0.00 H new ATOM 294 N VAL A 18 3.568 12.779 6.480 1.00 0.00 N ATOM 295 CA VAL A 18 3.060 13.176 7.788 1.00 0.00 C ATOM 296 C VAL A 18 2.978 11.981 8.730 1.00 0.00 C ATOM 297 O VAL A 18 3.048 10.831 8.298 1.00 0.00 O ATOM 298 CB VAL A 18 1.665 13.822 7.677 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.732 15.298 8.037 1.00 0.00 C ATOM 300 CG2 VAL A 18 1.099 13.631 6.278 1.00 0.00 C ATOM 0 H VAL A 18 3.853 11.802 6.416 1.00 0.00 H new ATOM 0 HA VAL A 18 3.761 13.907 8.191 1.00 0.00 H new ATOM 0 HB VAL A 18 0.997 13.329 8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.738 15.738 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.092 15.407 9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.413 15.808 7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.114 14.093 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.763 14.097 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.014 12.566 6.062 1.00 0.00 H new ATOM 310 N ASP A 19 2.826 12.260 10.020 1.00 0.00 N ATOM 311 CA ASP A 19 2.731 11.207 11.023 1.00 0.00 C ATOM 312 C ASP A 19 1.457 10.390 10.832 1.00 0.00 C ATOM 313 O ASP A 19 0.359 10.854 11.139 1.00 0.00 O ATOM 314 CB ASP A 19 2.760 11.807 12.429 1.00 0.00 C ATOM 315 CG ASP A 19 2.307 13.255 12.449 1.00 0.00 C ATOM 316 OD1 ASP A 19 2.854 14.058 11.664 1.00 0.00 O ATOM 317 OD2 ASP A 19 1.407 13.585 13.250 1.00 0.00 O ATOM 0 H ASP A 19 2.766 13.207 10.395 1.00 0.00 H new ATOM 0 HA ASP A 19 3.589 10.545 10.902 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.118 11.219 13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.772 11.740 12.829 1.00 0.00 H new ATOM 322 N ALA A 20 1.611 9.173 10.320 1.00 0.00 N ATOM 323 CA ALA A 20 0.472 8.293 10.085 1.00 0.00 C ATOM 324 C ALA A 20 -0.299 8.034 11.374 1.00 0.00 C ATOM 325 O ALA A 20 -1.453 7.605 11.341 1.00 0.00 O ATOM 326 CB ALA A 20 0.938 6.980 9.475 1.00 0.00 C ATOM 0 H ALA A 20 2.513 8.774 10.060 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.200 8.790 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.078 6.332 9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.438 7.177 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.633 6.489 10.156 1.00 0.00 H new ATOM 332 N SER A 21 0.343 8.294 12.506 1.00 0.00 N ATOM 333 CA SER A 21 -0.283 8.087 13.804 1.00 0.00 C ATOM 334 C SER A 21 -1.437 9.062 14.010 1.00 0.00 C ATOM 335 O SER A 21 -2.308 8.842 14.852 1.00 0.00 O ATOM 336 CB SER A 21 0.746 8.253 14.924 1.00 0.00 C ATOM 337 OG SER A 21 1.325 7.007 15.273 1.00 0.00 O ATOM 0 H SER A 21 1.298 8.649 12.551 1.00 0.00 H new ATOM 0 HA SER A 21 -0.677 7.071 13.832 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.527 8.944 14.606 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.268 8.693 15.799 1.00 0.00 H new ATOM 0 HG SER A 21 1.980 7.140 15.989 1.00 0.00 H new ATOM 343 N LYS A 22 -1.436 10.140 13.234 1.00 0.00 N ATOM 344 CA LYS A 22 -2.479 11.151 13.327 1.00 0.00 C ATOM 345 C LYS A 22 -3.724 10.723 12.555 1.00 0.00 C ATOM 346 O LYS A 22 -4.801 11.293 12.730 1.00 0.00 O ATOM 347 CB LYS A 22 -1.969 12.491 12.793 1.00 0.00 C ATOM 348 CG LYS A 22 -1.513 12.434 11.344 1.00 0.00 C ATOM 349 CD LYS A 22 -2.423 13.252 10.443 1.00 0.00 C ATOM 350 CE LYS A 22 -2.517 14.696 10.907 1.00 0.00 C ATOM 351 NZ LYS A 22 -3.745 15.366 10.396 1.00 0.00 N ATOM 0 H LYS A 22 -0.722 10.335 12.532 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.747 11.264 14.378 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.760 13.235 12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.139 12.828 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.492 12.807 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.500 11.398 11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.047 13.221 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.418 12.808 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.513 14.728 11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.637 15.244 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.525 16.351 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.089 14.864 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.480 15.352 11.132 1.00 0.00 H new ATOM 365 N VAL A 23 -3.567 9.717 11.702 1.00 0.00 N ATOM 366 CA VAL A 23 -4.676 9.212 10.902 1.00 0.00 C ATOM 367 C VAL A 23 -5.846 8.795 11.783 1.00 0.00 C ATOM 368 O VAL A 23 -5.693 7.981 12.695 1.00 0.00 O ATOM 369 CB VAL A 23 -4.248 8.015 10.034 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.959 8.327 9.290 1.00 0.00 C ATOM 371 CG2 VAL A 23 -4.089 6.767 10.889 1.00 0.00 C ATOM 0 H VAL A 23 -2.682 9.235 11.547 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.989 10.028 10.250 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.029 7.827 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.673 7.469 8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.111 9.193 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.168 8.543 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.786 5.931 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.329 6.942 11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.038 6.533 11.371 1.00 0.00 H new ATOM 381 N THR A 24 -7.014 9.359 11.503 1.00 0.00 N ATOM 382 CA THR A 24 -8.212 9.057 12.257 1.00 0.00 C ATOM 383 C THR A 24 -9.239 8.338 11.389 1.00 0.00 C ATOM 384 O THR A 24 -9.163 8.374 10.161 1.00 0.00 O ATOM 385 CB THR A 24 -8.811 10.337 12.827 1.00 0.00 C ATOM 386 OG1 THR A 24 -7.834 11.359 12.903 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.403 10.161 14.209 1.00 0.00 C ATOM 0 H THR A 24 -7.152 10.034 10.751 1.00 0.00 H new ATOM 0 HA THR A 24 -7.938 8.395 13.078 1.00 0.00 H new ATOM 0 HB THR A 24 -9.613 10.609 12.140 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.239 12.172 13.270 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.811 11.111 14.554 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.198 9.416 14.172 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.626 9.829 14.898 1.00 0.00 H new ATOM 395 N PRO A 25 -10.218 7.675 12.021 1.00 0.00 N ATOM 396 CA PRO A 25 -11.269 6.942 11.306 1.00 0.00 C ATOM 397 C PRO A 25 -12.022 7.830 10.321 1.00 0.00 C ATOM 398 O PRO A 25 -12.431 7.381 9.252 1.00 0.00 O ATOM 399 CB PRO A 25 -12.204 6.471 12.424 1.00 0.00 C ATOM 400 CG PRO A 25 -11.361 6.464 13.652 1.00 0.00 C ATOM 401 CD PRO A 25 -10.376 7.586 13.482 1.00 0.00 C ATOM 0 HA PRO A 25 -10.861 6.129 10.706 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.057 7.141 12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.603 5.479 12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.970 6.610 14.544 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.849 5.509 13.769 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.751 8.518 13.904 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.429 7.370 13.977 1.00 0.00 H new ATOM 409 N GLU A 26 -12.201 9.094 10.691 1.00 0.00 N ATOM 410 CA GLU A 26 -12.901 10.046 9.845 1.00 0.00 C ATOM 411 C GLU A 26 -11.918 10.962 9.124 1.00 0.00 C ATOM 412 O GLU A 26 -12.312 11.793 8.306 1.00 0.00 O ATOM 413 CB GLU A 26 -13.878 10.879 10.677 1.00 0.00 C ATOM 414 CG GLU A 26 -15.129 11.289 9.916 1.00 0.00 C ATOM 415 CD GLU A 26 -16.361 11.326 10.798 1.00 0.00 C ATOM 416 OE1 GLU A 26 -16.223 11.111 12.021 1.00 0.00 O ATOM 417 OE2 GLU A 26 -17.465 11.569 10.266 1.00 0.00 O ATOM 0 H GLU A 26 -11.869 9.481 11.574 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.460 9.484 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.170 10.308 11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.368 11.775 11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.974 12.273 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.295 10.592 9.095 1.00 0.00 H new ATOM 424 N SER A 27 -10.635 10.804 9.435 1.00 0.00 N ATOM 425 CA SER A 27 -9.593 11.618 8.819 1.00 0.00 C ATOM 426 C SER A 27 -9.567 11.419 7.307 1.00 0.00 C ATOM 427 O SER A 27 -9.642 10.292 6.817 1.00 0.00 O ATOM 428 CB SER A 27 -8.227 11.268 9.414 1.00 0.00 C ATOM 429 OG SER A 27 -7.268 12.267 9.111 1.00 0.00 O ATOM 0 H SER A 27 -10.292 10.120 10.110 1.00 0.00 H new ATOM 0 HA SER A 27 -9.816 12.665 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.315 11.159 10.495 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.892 10.307 9.023 1.00 0.00 H new ATOM 0 HG SER A 27 -7.723 13.120 8.953 1.00 0.00 H new ATOM 435 N HIS A 28 -9.463 12.522 6.574 1.00 0.00 N ATOM 436 CA HIS A 28 -9.429 12.474 5.122 1.00 0.00 C ATOM 437 C HIS A 28 -8.037 12.101 4.621 1.00 0.00 C ATOM 438 O HIS A 28 -7.032 12.421 5.256 1.00 0.00 O ATOM 439 CB HIS A 28 -9.850 13.823 4.535 1.00 0.00 C ATOM 440 CG HIS A 28 -11.331 14.045 4.551 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.202 13.371 3.720 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.096 14.871 5.303 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.437 13.774 3.959 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.400 14.683 4.916 1.00 0.00 N ATOM 0 H HIS A 28 -9.401 13.462 6.966 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.131 11.708 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.365 14.622 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.491 13.891 3.508 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.746 15.551 6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.326 13.420 3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.209 15.167 5.305 1.00 0.00 H new ATOM 453 N PHE A 29 -7.985 11.424 3.478 1.00 0.00 N ATOM 454 CA PHE A 29 -6.717 11.009 2.894 1.00 0.00 C ATOM 455 C PHE A 29 -5.918 12.215 2.415 1.00 0.00 C ATOM 456 O PHE A 29 -5.759 13.196 3.141 1.00 0.00 O ATOM 457 CB PHE A 29 -6.960 10.045 1.731 1.00 0.00 C ATOM 458 CG PHE A 29 -5.789 9.150 1.439 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.582 9.330 2.096 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.895 8.129 0.509 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.503 8.510 1.830 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.820 7.305 0.239 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.622 7.494 0.900 1.00 0.00 C ATOM 0 H PHE A 29 -8.807 11.152 2.939 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.139 10.498 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.831 9.429 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.199 10.620 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.484 10.121 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.829 7.975 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.568 8.662 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.916 6.513 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.781 6.850 0.691 1.00 0.00 H new ATOM 473 N VAL A 30 -5.415 12.137 1.186 1.00 0.00 N ATOM 474 CA VAL A 30 -4.632 13.224 0.611 1.00 0.00 C ATOM 475 C VAL A 30 -5.147 14.578 1.078 1.00 0.00 C ATOM 476 O VAL A 30 -4.383 15.533 1.222 1.00 0.00 O ATOM 477 CB VAL A 30 -4.650 13.180 -0.928 1.00 0.00 C ATOM 478 CG1 VAL A 30 -4.352 11.775 -1.428 1.00 0.00 C ATOM 479 CG2 VAL A 30 -5.989 13.670 -1.460 1.00 0.00 C ATOM 0 H VAL A 30 -5.536 11.333 0.570 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.607 13.091 0.956 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.871 13.845 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.369 11.765 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.367 11.466 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.106 11.086 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.984 13.632 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.787 13.033 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.157 14.696 -1.134 1.00 0.00 H new ATOM 489 N LYS A 31 -6.447 14.647 1.309 1.00 0.00 N ATOM 490 CA LYS A 31 -7.085 15.877 1.758 1.00 0.00 C ATOM 491 C LYS A 31 -6.635 16.242 3.169 1.00 0.00 C ATOM 492 O LYS A 31 -6.250 17.381 3.433 1.00 0.00 O ATOM 493 CB LYS A 31 -8.607 15.732 1.717 1.00 0.00 C ATOM 494 CG LYS A 31 -9.105 14.872 0.567 1.00 0.00 C ATOM 495 CD LYS A 31 -8.321 15.138 -0.707 1.00 0.00 C ATOM 496 CE LYS A 31 -8.836 16.374 -1.430 1.00 0.00 C ATOM 497 NZ LYS A 31 -8.646 17.610 -0.622 1.00 0.00 N ATOM 0 H LYS A 31 -7.087 13.861 1.193 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.785 16.678 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.948 15.299 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.056 16.722 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.019 13.819 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.162 15.072 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.266 15.269 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.392 14.273 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.317 16.480 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.895 16.247 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.767 18.445 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.349 17.635 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.689 17.615 -0.215 1.00 0.00 H new ATOM 511 N ASP A 32 -6.692 15.270 4.074 1.00 0.00 N ATOM 512 CA ASP A 32 -6.298 15.487 5.455 1.00 0.00 C ATOM 513 C ASP A 32 -4.800 15.268 5.638 1.00 0.00 C ATOM 514 O ASP A 32 -4.306 15.215 6.764 1.00 0.00 O ATOM 515 CB ASP A 32 -7.079 14.556 6.383 1.00 0.00 C ATOM 516 CG ASP A 32 -7.670 15.286 7.572 1.00 0.00 C ATOM 517 OD1 ASP A 32 -7.146 16.363 7.928 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.659 14.784 8.146 1.00 0.00 O ATOM 0 H ASP A 32 -7.009 14.322 3.871 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.528 16.521 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.880 14.076 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.419 13.764 6.738 1.00 0.00 H new ATOM 523 N LEU A 33 -4.085 15.142 4.523 1.00 0.00 N ATOM 524 CA LEU A 33 -2.641 14.929 4.550 1.00 0.00 C ATOM 525 C LEU A 33 -2.291 13.533 4.045 1.00 0.00 C ATOM 526 O LEU A 33 -1.430 12.857 4.607 1.00 0.00 O ATOM 527 CB LEU A 33 -2.089 15.123 5.964 1.00 0.00 C ATOM 528 CG LEU A 33 -2.228 16.538 6.530 1.00 0.00 C ATOM 529 CD1 LEU A 33 -3.195 17.363 5.693 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.685 16.489 7.980 1.00 0.00 C ATOM 0 H LEU A 33 -4.485 15.184 3.585 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.183 15.666 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.598 14.430 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.034 14.851 5.965 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.250 17.018 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.278 18.365 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.825 17.429 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.175 16.887 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.779 17.504 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.651 15.987 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.954 15.941 8.574 1.00 0.00 H new ATOM 542 N GLY A 34 -2.966 13.108 2.982 1.00 0.00 N ATOM 543 CA GLY A 34 -2.712 11.796 2.419 1.00 0.00 C ATOM 544 C GLY A 34 -1.430 11.747 1.611 1.00 0.00 C ATOM 545 O GLY A 34 -0.798 12.777 1.375 1.00 0.00 O ATOM 0 H GLY A 34 -3.684 13.649 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.658 11.063 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.549 11.509 1.783 1.00 0.00 H new ATOM 549 N LEU A 35 -1.044 10.547 1.190 1.00 0.00 N ATOM 550 CA LEU A 35 0.171 10.366 0.406 1.00 0.00 C ATOM 551 C LEU A 35 0.044 11.035 -0.960 1.00 0.00 C ATOM 552 O LEU A 35 -0.922 10.808 -1.686 1.00 0.00 O ATOM 553 CB LEU A 35 0.472 8.877 0.232 1.00 0.00 C ATOM 554 CG LEU A 35 1.119 8.202 1.442 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.967 9.197 2.218 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.054 7.591 2.341 1.00 0.00 C ATOM 0 H LEU A 35 -1.556 9.685 1.379 1.00 0.00 H new ATOM 0 HA LEU A 35 0.994 10.836 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.458 8.358 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.129 8.753 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 35 1.769 7.403 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.419 8.699 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.751 9.589 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.339 10.018 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.531 7.114 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.620 8.373 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.512 6.847 1.781 1.00 0.00 H new ATOM 568 N ASN A 36 1.030 11.860 -1.303 1.00 0.00 N ATOM 569 CA ASN A 36 1.031 12.559 -2.581 1.00 0.00 C ATOM 570 C ASN A 36 1.119 11.570 -3.739 1.00 0.00 C ATOM 571 O ASN A 36 1.123 10.358 -3.531 1.00 0.00 O ATOM 572 CB ASN A 36 2.201 13.544 -2.643 1.00 0.00 C ATOM 573 CG ASN A 36 2.043 14.564 -3.753 1.00 0.00 C ATOM 574 OD1 ASN A 36 1.297 15.535 -3.618 1.00 0.00 O ATOM 575 ND2 ASN A 36 2.746 14.348 -4.858 1.00 0.00 N ATOM 0 H ASN A 36 1.837 12.059 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 36 0.095 13.111 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.287 14.062 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.129 12.992 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.681 15.000 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.351 13.530 -4.926 1.00 0.00 H new ATOM 582 N SER A 37 1.193 12.094 -4.959 1.00 0.00 N ATOM 583 CA SER A 37 1.286 11.249 -6.143 1.00 0.00 C ATOM 584 C SER A 37 2.452 10.283 -6.015 1.00 0.00 C ATOM 585 O SER A 37 2.271 9.065 -5.993 1.00 0.00 O ATOM 586 CB SER A 37 1.450 12.107 -7.398 1.00 0.00 C ATOM 587 OG SER A 37 0.746 11.547 -8.495 1.00 0.00 O ATOM 0 H SER A 37 1.190 13.096 -5.152 1.00 0.00 H new ATOM 0 HA SER A 37 0.364 10.674 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.084 13.115 -7.203 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.508 12.194 -7.647 1.00 0.00 H new ATOM 0 HG SER A 37 0.865 12.115 -9.285 1.00 0.00 H new ATOM 592 N LEU A 38 3.645 10.842 -5.920 1.00 0.00 N ATOM 593 CA LEU A 38 4.858 10.048 -5.781 1.00 0.00 C ATOM 594 C LEU A 38 4.757 9.134 -4.569 1.00 0.00 C ATOM 595 O LEU A 38 5.285 8.020 -4.565 1.00 0.00 O ATOM 596 CB LEU A 38 6.076 10.965 -5.650 1.00 0.00 C ATOM 597 CG LEU A 38 6.395 11.425 -4.227 1.00 0.00 C ATOM 598 CD1 LEU A 38 5.218 12.184 -3.635 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.760 10.237 -3.349 1.00 0.00 C ATOM 0 H LEU A 38 3.803 11.850 -5.937 1.00 0.00 H new ATOM 0 HA LEU A 38 4.975 9.432 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.947 10.445 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.916 11.846 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 38 7.252 12.097 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.463 12.503 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.003 13.058 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.343 11.535 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.984 10.585 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.923 9.539 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.635 9.735 -3.762 1.00 0.00 H new ATOM 611 N ASP A 39 4.068 9.614 -3.545 1.00 0.00 N ATOM 612 CA ASP A 39 3.881 8.851 -2.321 1.00 0.00 C ATOM 613 C ASP A 39 2.880 7.727 -2.539 1.00 0.00 C ATOM 614 O ASP A 39 3.257 6.576 -2.749 1.00 0.00 O ATOM 615 CB ASP A 39 3.403 9.766 -1.191 1.00 0.00 C ATOM 616 CG ASP A 39 4.554 10.405 -0.440 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.036 11.469 -0.887 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.976 9.844 0.593 1.00 0.00 O ATOM 0 H ASP A 39 3.627 10.534 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 39 4.840 8.415 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.764 10.547 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.793 9.191 -0.495 1.00 0.00 H new ATOM 623 N VAL A 40 1.605 8.075 -2.491 1.00 0.00 N ATOM 624 CA VAL A 40 0.539 7.102 -2.687 1.00 0.00 C ATOM 625 C VAL A 40 1.018 5.934 -3.542 1.00 0.00 C ATOM 626 O VAL A 40 0.649 4.786 -3.301 1.00 0.00 O ATOM 627 CB VAL A 40 -0.698 7.737 -3.347 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.805 7.316 -4.806 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.959 7.365 -2.583 1.00 0.00 C ATOM 0 H VAL A 40 1.281 9.026 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 40 0.259 6.738 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.587 8.821 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.686 7.776 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.086 7.639 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.892 6.231 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.824 7.823 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.076 6.281 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.882 7.724 -1.557 1.00 0.00 H new ATOM 639 N VAL A 41 1.842 6.234 -4.542 1.00 0.00 N ATOM 640 CA VAL A 41 2.369 5.206 -5.429 1.00 0.00 C ATOM 641 C VAL A 41 3.382 4.325 -4.707 1.00 0.00 C ATOM 642 O VAL A 41 3.356 3.101 -4.835 1.00 0.00 O ATOM 643 CB VAL A 41 3.036 5.813 -6.677 1.00 0.00 C ATOM 644 CG1 VAL A 41 3.817 7.068 -6.315 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.940 4.791 -7.348 1.00 0.00 C ATOM 0 H VAL A 41 2.158 7.180 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 41 1.518 4.602 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 41 2.253 6.094 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.280 7.480 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.140 7.806 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.591 6.818 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.403 5.237 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.716 4.477 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.350 3.925 -7.648 1.00 0.00 H new ATOM 655 N GLU A 42 4.274 4.954 -3.948 1.00 0.00 N ATOM 656 CA GLU A 42 5.293 4.222 -3.208 1.00 0.00 C ATOM 657 C GLU A 42 4.658 3.375 -2.117 1.00 0.00 C ATOM 658 O GLU A 42 5.024 2.217 -1.913 1.00 0.00 O ATOM 659 CB GLU A 42 6.309 5.188 -2.598 1.00 0.00 C ATOM 660 CG GLU A 42 7.497 5.469 -3.504 1.00 0.00 C ATOM 661 CD GLU A 42 8.780 5.698 -2.729 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.125 4.844 -1.886 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.439 6.732 -2.966 1.00 0.00 O ATOM 0 H GLU A 42 4.311 5.966 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 42 5.811 3.562 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.810 6.128 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.670 4.776 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.634 4.631 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.284 6.347 -4.115 1.00 0.00 H new ATOM 670 N VAL A 43 3.697 3.965 -1.426 1.00 0.00 N ATOM 671 CA VAL A 43 2.987 3.282 -0.356 1.00 0.00 C ATOM 672 C VAL A 43 2.142 2.149 -0.913 1.00 0.00 C ATOM 673 O VAL A 43 2.211 1.013 -0.445 1.00 0.00 O ATOM 674 CB VAL A 43 2.084 4.254 0.425 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.979 5.586 -0.300 1.00 0.00 C ATOM 676 CG2 VAL A 43 0.712 3.649 0.644 1.00 0.00 C ATOM 0 H VAL A 43 3.388 4.923 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 43 3.736 2.876 0.324 1.00 0.00 H new ATOM 0 HB VAL A 43 2.535 4.433 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.337 6.259 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.971 6.027 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.554 5.428 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.089 4.351 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.250 3.436 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.809 2.724 1.212 1.00 0.00 H new ATOM 686 N VAL A 44 1.358 2.469 -1.931 1.00 0.00 N ATOM 687 CA VAL A 44 0.508 1.481 -2.577 1.00 0.00 C ATOM 688 C VAL A 44 1.357 0.335 -3.101 1.00 0.00 C ATOM 689 O VAL A 44 0.933 -0.821 -3.111 1.00 0.00 O ATOM 690 CB VAL A 44 -0.289 2.094 -3.745 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.305 3.099 -3.229 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.651 2.740 -4.750 1.00 0.00 C ATOM 0 H VAL A 44 1.293 3.406 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.200 1.116 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.831 1.295 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.858 3.521 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.998 2.600 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.789 3.898 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.071 3.168 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.222 3.528 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.335 1.988 -5.144 1.00 0.00 H new ATOM 702 N PHE A 45 2.570 0.671 -3.522 1.00 0.00 N ATOM 703 CA PHE A 45 3.504 -0.314 -4.036 1.00 0.00 C ATOM 704 C PHE A 45 4.052 -1.158 -2.895 1.00 0.00 C ATOM 705 O PHE A 45 4.333 -2.345 -3.057 1.00 0.00 O ATOM 706 CB PHE A 45 4.647 0.381 -4.773 1.00 0.00 C ATOM 707 CG PHE A 45 4.693 0.061 -6.236 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.114 -1.184 -6.665 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.316 1.002 -7.181 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.161 -1.490 -8.011 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.360 0.704 -8.529 1.00 0.00 C ATOM 712 CZ PHE A 45 4.783 -0.545 -8.945 1.00 0.00 C ATOM 0 H PHE A 45 2.929 1.626 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 45 2.980 -0.966 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.548 1.459 -4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.593 0.092 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.410 -1.926 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.984 1.978 -6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.493 -2.466 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.065 1.445 -9.257 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.818 -0.781 -9.998 1.00 0.00 H new ATOM 722 N ALA A 46 4.189 -0.525 -1.739 1.00 0.00 N ATOM 723 CA ALA A 46 4.691 -1.193 -0.548 1.00 0.00 C ATOM 724 C ALA A 46 3.710 -2.251 -0.067 1.00 0.00 C ATOM 725 O ALA A 46 4.046 -3.431 0.044 1.00 0.00 O ATOM 726 CB ALA A 46 4.961 -0.179 0.553 1.00 0.00 C ATOM 0 H ALA A 46 3.957 0.459 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 46 5.628 -1.689 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.336 -0.694 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.704 0.541 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.037 0.343 0.801 1.00 0.00 H new ATOM 732 N ILE A 47 2.493 -1.813 0.211 1.00 0.00 N ATOM 733 CA ILE A 47 1.444 -2.710 0.677 1.00 0.00 C ATOM 734 C ILE A 47 1.244 -3.862 -0.300 1.00 0.00 C ATOM 735 O ILE A 47 1.022 -5.002 0.105 1.00 0.00 O ATOM 736 CB ILE A 47 0.106 -1.969 0.862 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.018 -0.778 -0.092 1.00 0.00 C ATOM 738 CG2 ILE A 47 -0.049 -1.512 2.305 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.104 0.562 0.606 1.00 0.00 C ATOM 0 H ILE A 47 2.205 -0.839 0.122 1.00 0.00 H new ATOM 0 HA ILE A 47 1.765 -3.101 1.642 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.707 -2.656 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.822 -0.849 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.921 -0.832 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.999 -0.990 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.028 -2.379 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.769 -0.839 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.035 1.362 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.715 0.654 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.055 0.637 1.134 1.00 0.00 H new ATOM 751 N GLU A 48 1.334 -3.560 -1.591 1.00 0.00 N ATOM 752 CA GLU A 48 1.167 -4.578 -2.620 1.00 0.00 C ATOM 753 C GLU A 48 2.139 -5.723 -2.386 1.00 0.00 C ATOM 754 O GLU A 48 1.815 -6.889 -2.618 1.00 0.00 O ATOM 755 CB GLU A 48 1.386 -3.976 -4.009 1.00 0.00 C ATOM 756 CG GLU A 48 0.265 -4.282 -4.988 1.00 0.00 C ATOM 757 CD GLU A 48 0.444 -5.620 -5.679 1.00 0.00 C ATOM 758 OE1 GLU A 48 1.568 -6.162 -5.641 1.00 0.00 O ATOM 759 OE2 GLU A 48 -0.541 -6.127 -6.256 1.00 0.00 O ATOM 0 H GLU A 48 1.521 -2.623 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 48 0.149 -4.963 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.490 -2.895 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.325 -4.353 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.687 -4.275 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.217 -3.493 -5.739 1.00 0.00 H new ATOM 766 N GLN A 49 3.325 -5.378 -1.912 1.00 0.00 N ATOM 767 CA GLN A 49 4.351 -6.369 -1.627 1.00 0.00 C ATOM 768 C GLN A 49 3.934 -7.245 -0.450 1.00 0.00 C ATOM 769 O GLN A 49 4.142 -8.459 -0.463 1.00 0.00 O ATOM 770 CB GLN A 49 5.684 -5.682 -1.322 1.00 0.00 C ATOM 771 CG GLN A 49 6.753 -5.934 -2.373 1.00 0.00 C ATOM 772 CD GLN A 49 6.835 -4.820 -3.398 1.00 0.00 C ATOM 773 OE1 GLN A 49 7.374 -3.747 -3.123 1.00 0.00 O ATOM 774 NE2 GLN A 49 6.301 -5.070 -4.587 1.00 0.00 N ATOM 0 H GLN A 49 3.602 -4.416 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 49 4.473 -7.000 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.518 -4.608 -1.235 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.049 -6.028 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.720 -6.044 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.544 -6.876 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.865 -5.974 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.327 -4.359 -5.318 1.00 0.00 H new ATOM 783 N GLU A 50 3.343 -6.621 0.566 1.00 0.00 N ATOM 784 CA GLU A 50 2.897 -7.342 1.743 1.00 0.00 C ATOM 785 C GLU A 50 1.377 -7.490 1.760 1.00 0.00 C ATOM 786 O GLU A 50 0.752 -7.455 2.821 1.00 0.00 O ATOM 787 CB GLU A 50 3.367 -6.626 3.012 1.00 0.00 C ATOM 788 CG GLU A 50 3.917 -7.564 4.073 1.00 0.00 C ATOM 789 CD GLU A 50 4.489 -8.840 3.485 1.00 0.00 C ATOM 790 OE1 GLU A 50 3.695 -9.701 3.053 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.731 -8.976 3.458 1.00 0.00 O ATOM 0 H GLU A 50 3.164 -5.617 0.593 1.00 0.00 H new ATOM 0 HA GLU A 50 3.335 -8.340 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.136 -5.901 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.532 -6.065 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.693 -7.050 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.123 -7.816 4.776 1.00 0.00 H new ATOM 798 N PHE A 51 0.790 -7.657 0.580 1.00 0.00 N ATOM 799 CA PHE A 51 -0.650 -7.813 0.456 1.00 0.00 C ATOM 800 C PHE A 51 -1.014 -8.932 -0.521 1.00 0.00 C ATOM 801 O PHE A 51 -2.092 -9.516 -0.428 1.00 0.00 O ATOM 802 CB PHE A 51 -1.297 -6.502 0.007 1.00 0.00 C ATOM 803 CG PHE A 51 -1.950 -5.739 1.124 1.00 0.00 C ATOM 804 CD1 PHE A 51 -3.224 -6.075 1.555 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.293 -4.687 1.742 1.00 0.00 C ATOM 806 CE1 PHE A 51 -3.829 -5.376 2.583 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.893 -3.985 2.769 1.00 0.00 C ATOM 808 CZ PHE A 51 -3.162 -4.330 3.190 1.00 0.00 C ATOM 0 H PHE A 51 1.294 -7.688 -0.306 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.033 -8.084 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.538 -5.872 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.042 -6.718 -0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.750 -6.892 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.300 -4.413 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.822 -5.647 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.370 -3.167 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.633 -3.782 3.993 1.00 0.00 H new ATOM 818 N ILE A 52 -0.115 -9.224 -1.459 1.00 0.00 N ATOM 819 CA ILE A 52 -0.358 -10.269 -2.445 1.00 0.00 C ATOM 820 C ILE A 52 -1.522 -9.899 -3.357 1.00 0.00 C ATOM 821 O ILE A 52 -2.266 -10.765 -3.816 1.00 0.00 O ATOM 822 CB ILE A 52 -0.659 -11.621 -1.772 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.121 -11.635 -0.342 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.062 -12.762 -2.581 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.197 -11.821 0.704 1.00 0.00 C ATOM 0 H ILE A 52 0.784 -8.752 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 52 0.552 -10.363 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.740 -11.757 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.611 -12.436 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.404 -10.699 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.284 -13.710 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.492 -12.762 -3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.018 -12.633 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.744 -11.821 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.917 -11.006 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.706 -12.770 0.537 1.00 0.00 H new ATOM 837 N LEU A 53 -1.669 -8.604 -3.617 1.00 0.00 N ATOM 838 CA LEU A 53 -2.735 -8.111 -4.475 1.00 0.00 C ATOM 839 C LEU A 53 -2.455 -6.677 -4.914 1.00 0.00 C ATOM 840 O LEU A 53 -1.692 -5.958 -4.268 1.00 0.00 O ATOM 841 CB LEU A 53 -4.081 -8.184 -3.751 1.00 0.00 C ATOM 842 CG LEU A 53 -5.287 -8.457 -4.651 1.00 0.00 C ATOM 843 CD1 LEU A 53 -4.853 -9.172 -5.921 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.332 -9.274 -3.907 1.00 0.00 C ATOM 0 H LEU A 53 -1.060 -7.876 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.777 -8.744 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.027 -8.967 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.245 -7.243 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.733 -7.502 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.724 -9.358 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.141 -8.550 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.383 -10.121 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.183 -9.459 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.898 -10.225 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.665 -8.724 -3.027 1.00 0.00 H new ATOM 856 N ASP A 54 -3.071 -6.268 -6.018 1.00 0.00 N ATOM 857 CA ASP A 54 -2.882 -4.925 -6.544 1.00 0.00 C ATOM 858 C ASP A 54 -3.731 -3.913 -5.782 1.00 0.00 C ATOM 859 O ASP A 54 -4.862 -4.206 -5.390 1.00 0.00 O ATOM 860 CB ASP A 54 -3.232 -4.884 -8.033 1.00 0.00 C ATOM 861 CG ASP A 54 -4.572 -5.525 -8.329 1.00 0.00 C ATOM 862 OD1 ASP A 54 -5.087 -6.257 -7.458 1.00 0.00 O ATOM 863 OD2 ASP A 54 -5.110 -5.294 -9.433 1.00 0.00 O ATOM 0 H ASP A 54 -3.706 -6.850 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.833 -4.658 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.245 -3.848 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.454 -5.395 -8.600 1.00 0.00 H new ATOM 868 N ILE A 55 -3.178 -2.723 -5.577 1.00 0.00 N ATOM 869 CA ILE A 55 -3.878 -1.667 -4.865 1.00 0.00 C ATOM 870 C ILE A 55 -4.006 -0.406 -5.715 1.00 0.00 C ATOM 871 O ILE A 55 -5.092 0.160 -5.840 1.00 0.00 O ATOM 872 CB ILE A 55 -3.171 -1.310 -3.543 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.310 -2.453 -2.536 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.738 -0.020 -2.970 1.00 0.00 C ATOM 875 CD1 ILE A 55 -4.509 -3.341 -2.789 1.00 0.00 C ATOM 0 H ILE A 55 -2.244 -2.467 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.874 -2.052 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.111 -1.160 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.406 -3.061 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.384 -2.035 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.228 0.218 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.589 0.791 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.804 -0.144 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.543 -4.129 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.421 -2.746 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.428 -3.789 -3.780 1.00 0.00 H new ATOM 887 N PRO A 56 -2.894 0.054 -6.313 1.00 0.00 N ATOM 888 CA PRO A 56 -2.888 1.257 -7.152 1.00 0.00 C ATOM 889 C PRO A 56 -3.927 1.193 -8.266 1.00 0.00 C ATOM 890 O PRO A 56 -4.889 0.430 -8.189 1.00 0.00 O ATOM 891 CB PRO A 56 -1.473 1.276 -7.739 1.00 0.00 C ATOM 892 CG PRO A 56 -0.651 0.507 -6.765 1.00 0.00 C ATOM 893 CD PRO A 56 -1.557 -0.559 -6.217 1.00 0.00 C ATOM 0 HA PRO A 56 -3.139 2.151 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.448 0.818 -8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.104 2.296 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.221 0.068 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.281 1.153 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.493 -1.479 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.303 -0.813 -5.188 1.00 0.00 H new ATOM 901 N ASP A 57 -3.725 2.002 -9.302 1.00 0.00 N ATOM 902 CA ASP A 57 -4.647 2.038 -10.431 1.00 0.00 C ATOM 903 C ASP A 57 -5.987 2.636 -10.017 1.00 0.00 C ATOM 904 O ASP A 57 -6.060 3.430 -9.079 1.00 0.00 O ATOM 905 CB ASP A 57 -4.855 0.632 -10.994 1.00 0.00 C ATOM 906 CG ASP A 57 -3.550 -0.032 -11.389 1.00 0.00 C ATOM 907 OD1 ASP A 57 -2.495 0.365 -10.850 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.581 -0.947 -12.237 1.00 0.00 O ATOM 0 H ASP A 57 -2.933 2.640 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.210 2.669 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.362 0.017 -10.250 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.510 0.685 -11.864 1.00 0.00 H new ATOM 913 N HIS A 58 -7.045 2.249 -10.720 1.00 0.00 N ATOM 914 CA HIS A 58 -8.382 2.746 -10.423 1.00 0.00 C ATOM 915 C HIS A 58 -8.811 2.346 -9.015 1.00 0.00 C ATOM 916 O HIS A 58 -9.640 3.012 -8.394 1.00 0.00 O ATOM 917 CB HIS A 58 -9.387 2.213 -11.446 1.00 0.00 C ATOM 918 CG HIS A 58 -9.697 3.183 -12.542 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.962 3.352 -13.064 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.896 4.041 -13.219 1.00 0.00 C ATOM 921 CE1 HIS A 58 -10.927 4.270 -14.013 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.685 4.704 -14.126 1.00 0.00 N ATOM 0 H HIS A 58 -7.002 1.593 -11.500 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.359 3.834 -10.481 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.995 1.295 -11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.312 1.951 -10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.835 4.178 -13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.770 4.608 -14.597 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.364 5.417 -14.781 1.00 0.00 H new ATOM 931 N ASP A 59 -8.243 1.253 -8.517 1.00 0.00 N ATOM 932 CA ASP A 59 -8.566 0.762 -7.184 1.00 0.00 C ATOM 933 C ASP A 59 -8.099 1.740 -6.112 1.00 0.00 C ATOM 934 O ASP A 59 -8.832 2.041 -5.170 1.00 0.00 O ATOM 935 CB ASP A 59 -7.929 -0.610 -6.955 1.00 0.00 C ATOM 936 CG ASP A 59 -8.365 -1.631 -7.985 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.210 -1.288 -8.840 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.864 -2.774 -7.939 1.00 0.00 O ATOM 0 H ASP A 59 -7.556 0.690 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.650 0.668 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.844 -0.512 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.192 -0.968 -5.960 1.00 0.00 H new ATOM 943 N ALA A 60 -6.873 2.233 -6.259 1.00 0.00 N ATOM 944 CA ALA A 60 -6.309 3.174 -5.302 1.00 0.00 C ATOM 945 C ALA A 60 -6.935 4.555 -5.457 1.00 0.00 C ATOM 946 O ALA A 60 -6.962 5.347 -4.516 1.00 0.00 O ATOM 947 CB ALA A 60 -4.798 3.254 -5.466 1.00 0.00 C ATOM 0 H ALA A 60 -6.252 1.995 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.534 2.813 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.391 3.961 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.361 2.270 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.559 3.588 -6.476 1.00 0.00 H new ATOM 953 N GLU A 61 -7.437 4.834 -6.654 1.00 0.00 N ATOM 954 CA GLU A 61 -8.064 6.116 -6.940 1.00 0.00 C ATOM 955 C GLU A 61 -9.479 6.170 -6.373 1.00 0.00 C ATOM 956 O GLU A 61 -9.975 7.239 -6.016 1.00 0.00 O ATOM 957 CB GLU A 61 -8.098 6.365 -8.449 1.00 0.00 C ATOM 958 CG GLU A 61 -6.891 7.133 -8.966 1.00 0.00 C ATOM 959 CD GLU A 61 -5.789 7.251 -7.932 1.00 0.00 C ATOM 960 OE1 GLU A 61 -5.511 6.247 -7.243 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.204 8.348 -7.811 1.00 0.00 O ATOM 0 H GLU A 61 -7.421 4.187 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.471 6.896 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.157 5.407 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.004 6.918 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.500 6.634 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.204 8.131 -9.273 1.00 0.00 H new ATOM 968 N LYS A 62 -10.123 5.010 -6.296 1.00 0.00 N ATOM 969 CA LYS A 62 -11.481 4.922 -5.775 1.00 0.00 C ATOM 970 C LYS A 62 -11.499 5.075 -4.257 1.00 0.00 C ATOM 971 O LYS A 62 -12.500 4.779 -3.606 1.00 0.00 O ATOM 972 CB LYS A 62 -12.114 3.587 -6.172 1.00 0.00 C ATOM 973 CG LYS A 62 -12.143 3.350 -7.673 1.00 0.00 C ATOM 974 CD LYS A 62 -13.545 3.012 -8.155 1.00 0.00 C ATOM 975 CE LYS A 62 -13.885 3.753 -9.438 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.830 5.230 -9.258 1.00 0.00 N ATOM 0 H LYS A 62 -9.725 4.117 -6.588 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.061 5.737 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.562 2.777 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.133 3.549 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.784 4.240 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.463 2.537 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.625 1.938 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.269 3.269 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.189 3.457 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.882 3.465 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.508 5.684 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.073 5.469 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.870 5.570 -9.470 1.00 0.00 H new ATOM 990 N ILE A 63 -10.386 5.539 -3.697 1.00 0.00 N ATOM 991 CA ILE A 63 -10.279 5.730 -2.261 1.00 0.00 C ATOM 992 C ILE A 63 -9.699 7.100 -1.926 1.00 0.00 C ATOM 993 O ILE A 63 -8.592 7.436 -2.347 1.00 0.00 O ATOM 994 CB ILE A 63 -9.406 4.641 -1.610 1.00 0.00 C ATOM 995 CG1 ILE A 63 -10.073 4.111 -0.340 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.020 5.187 -1.300 1.00 0.00 C ATOM 997 CD1 ILE A 63 -10.162 2.601 -0.290 1.00 0.00 C ATOM 0 H ILE A 63 -9.546 5.789 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.290 5.661 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.300 3.814 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.515 4.463 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -11.077 4.529 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.415 4.405 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.544 5.518 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.106 6.030 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.646 2.296 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.745 2.243 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.159 2.176 -0.333 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.453 7.886 -1.165 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.022 9.212 -0.771 1.00 0.00 C ATOM 1011 C GLN A 64 -9.895 9.317 0.746 1.00 0.00 C ATOM 1012 O GLN A 64 -9.403 10.315 1.271 1.00 0.00 O ATOM 1013 CB GLN A 64 -10.998 10.269 -1.291 1.00 0.00 C ATOM 1014 CG GLN A 64 -11.205 10.218 -2.796 1.00 0.00 C ATOM 1015 CD GLN A 64 -12.502 9.536 -3.182 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -13.475 10.190 -3.556 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.521 8.210 -3.094 1.00 0.00 N ATOM 0 H GLN A 64 -11.371 7.620 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.041 9.391 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.960 10.138 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.630 11.258 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.199 11.233 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.370 9.690 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.691 7.708 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.366 7.695 -3.342 1.00 0.00 H new ATOM 1026 N SER A 65 -10.345 8.279 1.444 1.00 0.00 N ATOM 1027 CA SER A 65 -10.285 8.252 2.900 1.00 0.00 C ATOM 1028 C SER A 65 -9.307 7.190 3.385 1.00 0.00 C ATOM 1029 O SER A 65 -9.055 6.198 2.701 1.00 0.00 O ATOM 1030 CB SER A 65 -11.674 7.986 3.483 1.00 0.00 C ATOM 1031 OG SER A 65 -12.648 8.821 2.882 1.00 0.00 O ATOM 0 H SER A 65 -10.755 7.445 1.024 1.00 0.00 H new ATOM 0 HA SER A 65 -9.934 9.226 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.942 6.941 3.330 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.659 8.156 4.559 1.00 0.00 H new ATOM 0 HG SER A 65 -13.527 8.630 3.271 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.758 7.414 4.572 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.803 6.489 5.163 1.00 0.00 C ATOM 1039 C ILE A 66 -8.475 5.178 5.558 1.00 0.00 C ATOM 1040 O ILE A 66 -7.926 4.097 5.342 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.134 7.111 6.403 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.483 8.597 6.494 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.626 6.914 6.348 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -7.157 9.373 5.236 1.00 0.00 C ATOM 0 H ILE A 66 -8.960 8.233 5.146 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.044 6.283 4.409 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.509 6.610 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.547 8.700 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.944 9.038 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.168 7.359 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.399 5.848 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.229 7.393 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.431 10.419 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.089 9.301 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.716 8.958 4.397 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.679 5.263 6.143 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.437 4.083 6.569 1.00 0.00 C ATOM 1058 C PRO A 67 -10.615 3.076 5.438 1.00 0.00 C ATOM 1059 O PRO A 67 -10.002 2.010 5.444 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.791 4.659 6.994 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.506 6.079 7.345 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.396 6.516 6.430 1.00 0.00 C ATOM 0 HA PRO A 67 -9.929 3.536 7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.521 4.590 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.203 4.116 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.391 6.700 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.210 6.171 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.782 6.976 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.747 7.250 6.907 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.450 3.423 4.465 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.697 2.549 3.325 1.00 0.00 C ATOM 1072 C ASP A 68 -10.382 2.099 2.699 1.00 0.00 C ATOM 1073 O ASP A 68 -10.345 1.155 1.911 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.555 3.265 2.281 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.929 2.641 2.134 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.481 2.174 3.153 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.454 2.620 1.001 1.00 0.00 O ATOM 0 H ASP A 68 -11.967 4.302 4.443 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.234 1.669 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.663 4.313 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.044 3.243 1.318 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.303 2.789 3.057 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.982 2.475 2.536 1.00 0.00 C ATOM 1084 C ALA A 69 -7.446 1.175 3.121 1.00 0.00 C ATOM 1085 O ALA A 69 -7.645 0.098 2.562 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.020 3.618 2.818 1.00 0.00 C ATOM 0 H ALA A 69 -9.321 3.573 3.709 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.071 2.342 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.035 3.370 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.385 4.527 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.950 3.777 3.894 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.754 1.290 4.245 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.172 0.131 4.911 1.00 0.00 C ATOM 1094 C VAL A 70 -7.245 -0.816 5.440 1.00 0.00 C ATOM 1095 O VAL A 70 -6.960 -1.969 5.765 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.261 0.555 6.078 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.930 1.638 6.911 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.903 -0.647 6.939 1.00 0.00 C ATOM 0 H VAL A 70 -6.581 2.177 4.717 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.579 -0.391 4.160 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.339 0.965 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.272 1.925 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.130 2.507 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.869 1.259 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.259 -0.329 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.814 -1.089 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.380 -1.386 6.332 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.475 -0.324 5.533 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.582 -1.129 6.033 1.00 0.00 C ATOM 1110 C GLU A 71 -10.000 -2.193 5.022 1.00 0.00 C ATOM 1111 O GLU A 71 -10.000 -3.385 5.328 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.777 -0.238 6.377 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.657 0.091 5.182 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.900 0.865 5.572 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.873 1.546 6.619 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -13.903 0.792 4.829 1.00 0.00 O ATOM 0 H GLU A 71 -8.730 0.628 5.269 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.240 -1.635 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.381 -0.733 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.412 0.691 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.082 0.672 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.950 -0.834 4.685 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.363 -1.758 3.817 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.789 -2.681 2.771 1.00 0.00 C ATOM 1125 C TYR A 72 -9.679 -3.660 2.416 1.00 0.00 C ATOM 1126 O TYR A 72 -9.898 -4.871 2.356 1.00 0.00 O ATOM 1127 CB TYR A 72 -11.232 -1.910 1.526 1.00 0.00 C ATOM 1128 CG TYR A 72 -10.191 -1.880 0.429 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -9.091 -1.038 0.517 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -10.308 -2.693 -0.690 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -8.136 -1.006 -0.480 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -9.356 -2.667 -1.693 1.00 0.00 C ATOM 1133 CZ TYR A 72 -8.272 -1.821 -1.583 1.00 0.00 C ATOM 1134 OH TYR A 72 -7.323 -1.793 -2.577 1.00 0.00 O ATOM 0 H TYR A 72 -10.370 -0.776 3.543 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.636 -3.252 3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -12.145 -2.360 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.477 -0.887 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.980 -0.397 1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.156 -3.356 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.286 -0.345 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.461 -3.306 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.569 -2.428 -3.282 1.00 0.00 H new ATOM 1144 N ILE A 73 -8.490 -3.130 2.183 1.00 0.00 N ATOM 1145 CA ILE A 73 -7.341 -3.958 1.835 1.00 0.00 C ATOM 1146 C ILE A 73 -7.018 -4.937 2.954 1.00 0.00 C ATOM 1147 O ILE A 73 -6.749 -6.112 2.709 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.088 -3.114 1.528 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -6.006 -1.906 2.465 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -6.091 -2.670 0.072 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.514 -0.644 1.790 1.00 0.00 C ATOM 0 H ILE A 73 -8.292 -2.130 2.228 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.617 -4.506 0.934 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.206 -3.732 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.992 -1.719 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.342 -2.146 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.200 -2.075 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.096 -3.547 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.980 -2.070 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.482 0.168 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.514 -0.812 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.190 -0.378 0.978 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.051 -4.442 4.180 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.766 -5.267 5.348 1.00 0.00 C ATOM 1165 C ALA A 74 -7.661 -6.496 5.381 1.00 0.00 C ATOM 1166 O ALA A 74 -7.227 -7.591 5.745 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.931 -4.453 6.624 1.00 0.00 C ATOM 0 H ALA A 74 -7.273 -3.470 4.395 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.732 -5.606 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.715 -5.082 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.242 -3.609 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.955 -4.084 6.691 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.913 -6.305 4.996 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.881 -7.387 4.977 1.00 0.00 C ATOM 1175 C GLN A 75 -9.693 -8.257 3.741 1.00 0.00 C ATOM 1176 O GLN A 75 -10.187 -9.383 3.682 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.305 -6.828 5.012 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.513 -5.759 6.072 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.576 -5.920 7.254 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.250 -7.037 7.655 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.139 -4.800 7.820 1.00 0.00 N ATOM 0 H GLN A 75 -9.283 -5.405 4.691 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.721 -8.003 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.547 -6.410 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.003 -7.646 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.363 -4.776 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.544 -5.796 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.435 -3.895 7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.508 -4.845 8.620 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.968 -7.732 2.759 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.709 -8.468 1.531 1.00 0.00 C ATOM 1192 C ASN A 76 -7.871 -9.710 1.823 1.00 0.00 C ATOM 1193 O ASN A 76 -8.360 -10.835 1.716 1.00 0.00 O ATOM 1194 CB ASN A 76 -8.003 -7.574 0.509 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.950 -7.053 -0.552 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -9.267 -7.749 -1.516 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.406 -5.819 -0.378 1.00 0.00 N ATOM 0 H ASN A 76 -8.551 -6.802 2.791 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.663 -8.785 1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.540 -6.732 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.200 -8.136 0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.047 -5.411 -1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.116 -5.278 0.437 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.596 -9.525 2.206 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.700 -10.642 2.524 1.00 0.00 C ATOM 1206 C PRO A 77 -6.167 -11.412 3.753 1.00 0.00 C ATOM 1207 O PRO A 77 -6.021 -12.632 3.825 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.349 -9.968 2.802 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.476 -8.587 2.256 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.928 -8.229 2.369 1.00 0.00 C ATOM 0 HA PRO A 77 -5.661 -11.371 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.131 -9.950 3.870 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.534 -10.508 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.857 -7.887 2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.144 -8.546 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.158 -7.773 3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.230 -7.518 1.600 1.00 0.00 H new ATOM 1218 N MET A 78 -6.735 -10.693 4.718 1.00 0.00 N ATOM 1219 CA MET A 78 -7.227 -11.315 5.940 1.00 0.00 C ATOM 1220 C MET A 78 -8.447 -12.181 5.647 1.00 0.00 C ATOM 1221 O MET A 78 -8.807 -13.056 6.434 1.00 0.00 O ATOM 1222 CB MET A 78 -7.580 -10.247 6.977 1.00 0.00 C ATOM 1223 CG MET A 78 -8.773 -10.613 7.844 1.00 0.00 C ATOM 1224 SD MET A 78 -8.705 -9.851 9.478 1.00 0.00 S ATOM 1225 CE MET A 78 -9.829 -10.904 10.390 1.00 0.00 C ATOM 0 H MET A 78 -6.865 -9.682 4.676 1.00 0.00 H new ATOM 0 HA MET A 78 -6.437 -11.950 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.715 -10.074 7.618 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.789 -9.309 6.463 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.690 -10.305 7.342 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.818 -11.696 7.954 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.894 -10.560 11.422 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.817 -10.865 9.932 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.462 -11.930 10.372 1.00 0.00 H new ATOM 1235 N ALA A 79 -9.078 -11.927 4.505 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.253 -12.674 4.096 1.00 0.00 C ATOM 1237 C ALA A 79 -9.864 -13.935 3.339 1.00 0.00 C ATOM 1238 O ALA A 79 -9.816 -15.027 3.905 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.163 -11.802 3.244 1.00 0.00 C ATOM 0 H ALA A 79 -8.790 -11.204 3.846 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.794 -12.974 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.040 -12.375 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.478 -10.932 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.624 -11.473 2.356 1.00 0.00 H new ATOM 1245 N LYS A 80 -9.589 -13.771 2.055 1.00 0.00 N ATOM 1246 CA LYS A 80 -9.202 -14.890 1.202 1.00 0.00 C ATOM 1247 C LYS A 80 -8.187 -15.784 1.906 1.00 0.00 C ATOM 1248 O LYS A 80 -7.842 -15.485 3.069 1.00 0.00 O ATOM 1249 CB LYS A 80 -8.618 -14.375 -0.115 1.00 0.00 C ATOM 1250 CG LYS A 80 -7.787 -13.111 0.040 1.00 0.00 C ATOM 1251 CD LYS A 80 -6.300 -13.424 0.079 1.00 0.00 C ATOM 1252 CE LYS A 80 -5.630 -13.109 -1.248 1.00 0.00 C ATOM 1253 NZ LYS A 80 -5.817 -11.684 -1.640 1.00 0.00 N ATOM 1254 OXT LYS A 80 -7.746 -16.777 1.289 1.00 0.00 O ATOM 0 H LYS A 80 -9.626 -12.871 1.576 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.094 -15.480 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.998 -15.155 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.433 -14.181 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.996 -12.433 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.075 -12.595 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.826 -12.847 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.155 -14.477 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.565 -13.330 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.039 -13.756 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.947 -11.329 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.606 -11.610 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.029 -11.116 -0.795 1.00 0.00 H new