USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 : C 9 THR OG1 : rot 24:sc= 0.767 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 138:sc= 1.08 USER MOD Single : C 18 SER OG : rot 178:sc= 1.09 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0.235 USER MOD Single : C 22 THR OG1 : rot 173:sc= -3.33! USER MOD Single : C 25 SER OG : rot 180:sc= -1.71! USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -2.26! C(o=-2.3!,f=-6.2!) USER MOD Single : C 36 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : C 37 ASN : amide:sc= -3.93! C(o=-3.9!,f=-8.7!) USER MOD Single : C 38 THR OG1 : rot -55:sc= 0.0881 USER MOD Single : C 46 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-4.1!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.066) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= -0.0324 USER MOD Single : C 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 TYR OH : rot -13:sc= 1.22 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.399 28.200 -8.487 1.00 0.00 N ATOM 2 CA THR C 9 13.053 29.026 -7.297 1.00 0.00 C ATOM 3 C THR C 9 12.335 28.155 -6.265 1.00 0.00 C ATOM 4 O THR C 9 11.237 28.457 -5.838 1.00 0.00 O ATOM 5 CB THR C 9 12.135 30.175 -7.721 1.00 0.00 C ATOM 6 OG1 THR C 9 12.345 30.462 -9.097 1.00 0.00 O ATOM 7 CG2 THR C 9 12.450 31.418 -6.885 1.00 0.00 C ATOM 0 HA THR C 9 13.965 29.433 -6.860 1.00 0.00 H new ATOM 0 HB THR C 9 11.095 29.888 -7.563 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.705 29.668 -9.545 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.796 32.236 -7.188 1.00 0.00 H new ATOM 0 HG22 THR C 9 12.290 31.197 -5.830 1.00 0.00 H new ATOM 0 HG23 THR C 9 13.489 31.708 -7.041 1.00 0.00 H new ATOM 15 N PHE C 10 12.945 27.076 -5.858 1.00 0.00 N ATOM 16 CA PHE C 10 12.297 26.186 -4.854 1.00 0.00 C ATOM 17 C PHE C 10 12.983 26.364 -3.499 1.00 0.00 C ATOM 18 O PHE C 10 14.138 26.733 -3.420 1.00 0.00 O ATOM 19 CB PHE C 10 12.427 24.731 -5.304 1.00 0.00 C ATOM 20 CG PHE C 10 11.312 24.406 -6.302 1.00 0.00 C ATOM 21 CD1 PHE C 10 10.959 25.318 -7.280 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.643 23.198 -6.235 1.00 0.00 C ATOM 23 CE1 PHE C 10 9.952 25.026 -8.176 1.00 0.00 C ATOM 24 CE2 PHE C 10 9.635 22.907 -7.131 1.00 0.00 C ATOM 25 CZ PHE C 10 9.289 23.821 -8.101 1.00 0.00 C ATOM 0 H PHE C 10 13.865 26.772 -6.178 1.00 0.00 H new ATOM 0 HA PHE C 10 11.242 26.445 -4.765 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.401 24.567 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.365 24.066 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.475 26.265 -7.342 1.00 0.00 H new ATOM 0 HD2 PHE C 10 10.911 22.478 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE C 10 9.683 25.743 -8.937 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.117 21.961 -7.072 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.499 23.593 -8.802 1.00 0.00 H new ATOM 35 N VAL C 11 12.282 26.103 -2.430 1.00 0.00 N ATOM 36 CA VAL C 11 12.893 26.257 -1.081 1.00 0.00 C ATOM 37 C VAL C 11 12.823 24.924 -0.333 1.00 0.00 C ATOM 38 O VAL C 11 11.879 24.172 -0.473 1.00 0.00 O ATOM 39 CB VAL C 11 12.127 27.325 -0.296 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.910 27.695 0.964 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.952 28.569 -1.171 1.00 0.00 C ATOM 0 H VAL C 11 11.311 25.789 -2.433 1.00 0.00 H new ATOM 0 HA VAL C 11 13.935 26.559 -1.185 1.00 0.00 H new ATOM 0 HB VAL C 11 11.149 26.936 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.363 28.455 1.522 1.00 0.00 H new ATOM 0 HG12 VAL C 11 13.037 26.809 1.587 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.889 28.084 0.683 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.407 29.331 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.931 28.956 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.393 28.306 -2.069 1.00 0.00 H new ATOM 51 N ALA C 12 13.814 24.626 0.462 1.00 0.00 N ATOM 52 CA ALA C 12 13.802 23.340 1.216 1.00 0.00 C ATOM 53 C ALA C 12 12.878 23.468 2.430 1.00 0.00 C ATOM 54 O ALA C 12 13.181 24.157 3.383 1.00 0.00 O ATOM 55 CB ALA C 12 15.221 23.014 1.684 1.00 0.00 C ATOM 0 H ALA C 12 14.630 25.216 0.622 1.00 0.00 H new ATOM 0 HA ALA C 12 13.440 22.541 0.569 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.215 22.074 2.236 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.878 22.923 0.819 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.583 23.813 2.332 1.00 0.00 H new ATOM 61 N LEU C 13 11.753 22.805 2.402 1.00 0.00 N ATOM 62 CA LEU C 13 10.809 22.887 3.552 1.00 0.00 C ATOM 63 C LEU C 13 11.344 22.064 4.727 1.00 0.00 C ATOM 64 O LEU C 13 11.410 22.536 5.844 1.00 0.00 O ATOM 65 CB LEU C 13 9.443 22.333 3.140 1.00 0.00 C ATOM 66 CG LEU C 13 9.027 22.931 1.796 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.585 22.523 1.486 1.00 0.00 C ATOM 68 CD2 LEU C 13 9.122 24.457 1.864 1.00 0.00 C ATOM 0 H LEU C 13 11.448 22.210 1.632 1.00 0.00 H new ATOM 0 HA LEU C 13 10.710 23.931 3.851 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.488 21.246 3.067 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.699 22.571 3.900 1.00 0.00 H new ATOM 0 HG LEU C 13 9.688 22.562 1.012 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.285 22.948 0.528 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.517 21.436 1.439 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.925 22.894 2.270 1.00 0.00 H new ATOM 0 HD21 LEU C 13 8.825 24.883 0.906 1.00 0.00 H new ATOM 0 HD22 LEU C 13 8.460 24.828 2.647 1.00 0.00 H new ATOM 0 HD23 LEU C 13 10.148 24.748 2.088 1.00 0.00 H new ATOM 80 N TYR C 14 11.727 20.840 4.487 1.00 0.00 N ATOM 81 CA TYR C 14 12.254 19.999 5.602 1.00 0.00 C ATOM 82 C TYR C 14 13.767 19.824 5.451 1.00 0.00 C ATOM 83 O TYR C 14 14.355 20.223 4.466 1.00 0.00 O ATOM 84 CB TYR C 14 11.576 18.625 5.577 1.00 0.00 C ATOM 85 CG TYR C 14 10.130 18.771 5.090 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.407 19.915 5.359 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.533 17.758 4.366 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.109 20.048 4.910 1.00 0.00 C ATOM 89 CE2 TYR C 14 8.234 17.889 3.918 1.00 0.00 C ATOM 90 CZ TYR C 14 7.512 19.035 4.186 1.00 0.00 C ATOM 91 OH TYR C 14 6.214 19.167 3.736 1.00 0.00 O ATOM 0 H TYR C 14 11.699 20.387 3.574 1.00 0.00 H new ATOM 0 HA TYR C 14 12.042 20.492 6.551 1.00 0.00 H new ATOM 0 HB2 TYR C 14 12.125 17.950 4.920 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.591 18.183 6.573 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.861 20.714 5.926 1.00 0.00 H new ATOM 0 HD2 TYR C 14 10.087 16.856 4.149 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.556 20.950 5.126 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.779 17.089 3.353 1.00 0.00 H new ATOM 0 HH TYR C 14 5.955 18.360 3.244 1.00 0.00 H new ATOM 101 N ASP C 15 14.401 19.230 6.427 1.00 0.00 N ATOM 102 CA ASP C 15 15.876 19.028 6.348 1.00 0.00 C ATOM 103 C ASP C 15 16.194 17.693 5.666 1.00 0.00 C ATOM 104 O ASP C 15 15.855 16.635 6.156 1.00 0.00 O ATOM 105 CB ASP C 15 16.460 19.024 7.763 1.00 0.00 C ATOM 106 CG ASP C 15 17.920 18.567 7.711 1.00 0.00 C ATOM 107 OD1 ASP C 15 18.460 18.498 6.619 1.00 0.00 O ATOM 108 OD2 ASP C 15 18.472 18.293 8.764 1.00 0.00 O ATOM 0 H ASP C 15 13.960 18.876 7.276 1.00 0.00 H new ATOM 0 HA ASP C 15 16.315 19.837 5.764 1.00 0.00 H new ATOM 0 HB2 ASP C 15 16.395 20.022 8.197 1.00 0.00 H new ATOM 0 HB3 ASP C 15 15.882 18.359 8.405 1.00 0.00 H new ATOM 113 N TYR C 16 16.844 17.742 4.534 1.00 0.00 N ATOM 114 CA TYR C 16 17.194 16.488 3.805 1.00 0.00 C ATOM 115 C TYR C 16 18.591 16.031 4.229 1.00 0.00 C ATOM 116 O TYR C 16 19.575 16.699 3.973 1.00 0.00 O ATOM 117 CB TYR C 16 17.197 16.764 2.307 1.00 0.00 C ATOM 118 CG TYR C 16 17.630 15.506 1.559 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.785 14.423 1.481 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.863 15.442 0.941 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.161 13.289 0.793 1.00 0.00 C ATOM 122 CE2 TYR C 16 19.242 14.306 0.253 1.00 0.00 C ATOM 123 CZ TYR C 16 18.394 13.221 0.175 1.00 0.00 C ATOM 124 OH TYR C 16 18.771 12.084 -0.512 1.00 0.00 O ATOM 0 H TYR C 16 17.150 18.603 4.080 1.00 0.00 H new ATOM 0 HA TYR C 16 16.464 15.713 4.038 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.203 17.070 1.981 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.875 17.587 2.079 1.00 0.00 H new ATOM 0 HD1 TYR C 16 15.819 14.462 1.963 1.00 0.00 H new ATOM 0 HD2 TYR C 16 19.535 16.285 0.996 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.486 12.448 0.737 1.00 0.00 H new ATOM 0 HE2 TYR C 16 20.209 14.267 -0.227 1.00 0.00 H new ATOM 0 HH TYR C 16 19.221 12.339 -1.345 1.00 0.00 H new ATOM 134 N GLU C 17 18.687 14.897 4.869 1.00 0.00 N ATOM 135 CA GLU C 17 20.023 14.400 5.308 1.00 0.00 C ATOM 136 C GLU C 17 20.458 13.237 4.413 1.00 0.00 C ATOM 137 O GLU C 17 20.154 12.091 4.677 1.00 0.00 O ATOM 138 CB GLU C 17 19.934 13.921 6.759 1.00 0.00 C ATOM 139 CG GLU C 17 21.341 13.673 7.304 1.00 0.00 C ATOM 140 CD GLU C 17 21.241 13.113 8.724 1.00 0.00 C ATOM 141 OE1 GLU C 17 20.178 13.226 9.310 1.00 0.00 O ATOM 142 OE2 GLU C 17 22.231 12.582 9.202 1.00 0.00 O ATOM 0 H GLU C 17 17.899 14.294 5.107 1.00 0.00 H new ATOM 0 HA GLU C 17 20.753 15.206 5.233 1.00 0.00 H new ATOM 0 HB2 GLU C 17 19.423 14.667 7.368 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.345 13.006 6.815 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.874 12.973 6.661 1.00 0.00 H new ATOM 0 HG3 GLU C 17 21.912 14.602 7.306 1.00 0.00 H new ATOM 149 N SER C 18 21.163 13.525 3.351 1.00 0.00 N ATOM 150 CA SER C 18 21.620 12.441 2.436 1.00 0.00 C ATOM 151 C SER C 18 22.124 11.253 3.260 1.00 0.00 C ATOM 152 O SER C 18 22.356 11.362 4.448 1.00 0.00 O ATOM 153 CB SER C 18 22.754 12.966 1.556 1.00 0.00 C ATOM 154 OG SER C 18 22.895 12.131 0.416 1.00 0.00 O ATOM 0 H SER C 18 21.442 14.467 3.078 1.00 0.00 H new ATOM 0 HA SER C 18 20.788 12.120 1.809 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.544 13.990 1.246 1.00 0.00 H new ATOM 0 HB3 SER C 18 23.686 12.989 2.121 1.00 0.00 H new ATOM 0 HG SER C 18 23.605 12.482 -0.161 1.00 0.00 H new ATOM 160 N ARG C 19 22.299 10.118 2.639 1.00 0.00 N ATOM 161 CA ARG C 19 22.789 8.926 3.389 1.00 0.00 C ATOM 162 C ARG C 19 24.199 8.566 2.921 1.00 0.00 C ATOM 163 O ARG C 19 25.016 8.094 3.688 1.00 0.00 O ATOM 164 CB ARG C 19 21.853 7.744 3.132 1.00 0.00 C ATOM 165 CG ARG C 19 20.426 8.129 3.526 1.00 0.00 C ATOM 166 CD ARG C 19 19.499 6.931 3.311 1.00 0.00 C ATOM 167 NE ARG C 19 20.064 5.738 4.001 1.00 0.00 N ATOM 168 CZ ARG C 19 19.652 4.539 3.685 1.00 0.00 C ATOM 169 NH1 ARG C 19 18.745 4.378 2.759 1.00 0.00 N ATOM 170 NH2 ARG C 19 20.150 3.499 4.298 1.00 0.00 N ATOM 0 H ARG C 19 22.124 9.965 1.646 1.00 0.00 H new ATOM 0 HA ARG C 19 22.809 9.154 4.455 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.887 7.461 2.080 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.179 6.877 3.706 1.00 0.00 H new ATOM 0 HG2 ARG C 19 20.397 8.443 4.570 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.088 8.976 2.929 1.00 0.00 H new ATOM 0 HD2 ARG C 19 18.505 7.152 3.699 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.388 6.730 2.246 1.00 0.00 H new ATOM 0 HE ARG C 19 20.775 5.857 4.723 1.00 0.00 H new ATOM 0 HH11 ARG C 19 18.356 5.190 2.280 1.00 0.00 H new ATOM 0 HH12 ARG C 19 18.426 3.440 2.515 1.00 0.00 H new ATOM 0 HH21 ARG C 19 20.858 3.624 5.021 1.00 0.00 H new ATOM 0 HH22 ARG C 19 19.831 2.562 4.054 1.00 0.00 H new ATOM 184 N THR C 20 24.493 8.784 1.671 1.00 0.00 N ATOM 185 CA THR C 20 25.851 8.452 1.156 1.00 0.00 C ATOM 186 C THR C 20 26.384 9.624 0.324 1.00 0.00 C ATOM 187 O THR C 20 25.919 10.741 0.440 1.00 0.00 O ATOM 188 CB THR C 20 25.768 7.187 0.293 1.00 0.00 C ATOM 189 OG1 THR C 20 27.066 6.632 0.137 1.00 0.00 O ATOM 190 CG2 THR C 20 25.186 7.531 -1.079 1.00 0.00 C ATOM 0 H THR C 20 23.852 9.178 0.982 1.00 0.00 H new ATOM 0 HA THR C 20 26.529 8.274 1.990 1.00 0.00 H new ATOM 0 HB THR C 20 25.120 6.460 0.783 1.00 0.00 H new ATOM 0 HG1 THR C 20 27.012 5.823 -0.413 1.00 0.00 H new ATOM 0 HG21 THR C 20 25.130 6.628 -1.687 1.00 0.00 H new ATOM 0 HG22 THR C 20 24.187 7.949 -0.956 1.00 0.00 H new ATOM 0 HG23 THR C 20 25.826 8.262 -1.573 1.00 0.00 H new ATOM 198 N GLU C 21 27.354 9.379 -0.515 1.00 0.00 N ATOM 199 CA GLU C 21 27.912 10.479 -1.352 1.00 0.00 C ATOM 200 C GLU C 21 27.132 10.567 -2.665 1.00 0.00 C ATOM 201 O GLU C 21 27.704 10.648 -3.734 1.00 0.00 O ATOM 202 CB GLU C 21 29.386 10.192 -1.649 1.00 0.00 C ATOM 203 CG GLU C 21 30.262 10.903 -0.614 1.00 0.00 C ATOM 204 CD GLU C 21 30.575 9.944 0.536 1.00 0.00 C ATOM 205 OE1 GLU C 21 29.667 9.644 1.294 1.00 0.00 O ATOM 206 OE2 GLU C 21 31.716 9.527 0.640 1.00 0.00 O ATOM 0 H GLU C 21 27.784 8.465 -0.657 1.00 0.00 H new ATOM 0 HA GLU C 21 27.826 11.425 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.571 9.118 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.639 10.534 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU C 21 31.187 11.245 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU C 21 29.750 11.787 -0.235 1.00 0.00 H new ATOM 213 N THR C 22 25.830 10.557 -2.593 1.00 0.00 N ATOM 214 CA THR C 22 25.011 10.641 -3.836 1.00 0.00 C ATOM 215 C THR C 22 24.292 11.990 -3.879 1.00 0.00 C ATOM 216 O THR C 22 24.302 12.681 -4.878 1.00 0.00 O ATOM 217 CB THR C 22 23.978 9.511 -3.842 1.00 0.00 C ATOM 218 OG1 THR C 22 24.605 8.293 -3.464 1.00 0.00 O ATOM 219 CG2 THR C 22 23.384 9.368 -5.243 1.00 0.00 C ATOM 0 H THR C 22 25.296 10.494 -1.726 1.00 0.00 H new ATOM 0 HA THR C 22 25.659 10.546 -4.708 1.00 0.00 H new ATOM 0 HB THR C 22 23.182 9.744 -3.134 1.00 0.00 H new ATOM 0 HG1 THR C 22 23.926 7.595 -3.358 1.00 0.00 H new ATOM 0 HG21 THR C 22 22.649 8.563 -5.246 1.00 0.00 H new ATOM 0 HG22 THR C 22 22.901 10.302 -5.530 1.00 0.00 H new ATOM 0 HG23 THR C 22 24.178 9.137 -5.953 1.00 0.00 H new ATOM 227 N ASP C 23 23.664 12.367 -2.799 1.00 0.00 N ATOM 228 CA ASP C 23 22.940 13.669 -2.765 1.00 0.00 C ATOM 229 C ASP C 23 23.503 14.524 -1.625 1.00 0.00 C ATOM 230 O ASP C 23 24.121 14.018 -0.709 1.00 0.00 O ATOM 231 CB ASP C 23 21.449 13.418 -2.522 1.00 0.00 C ATOM 232 CG ASP C 23 21.030 12.104 -3.187 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.734 11.662 -4.079 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.010 11.564 -2.792 1.00 0.00 O ATOM 0 H ASP C 23 23.621 11.827 -1.935 1.00 0.00 H new ATOM 0 HA ASP C 23 23.070 14.187 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.248 13.375 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.861 14.243 -2.924 1.00 0.00 H new ATOM 239 N LEU C 24 23.295 15.812 -1.670 1.00 0.00 N ATOM 240 CA LEU C 24 23.823 16.688 -0.584 1.00 0.00 C ATOM 241 C LEU C 24 22.806 16.761 0.557 1.00 0.00 C ATOM 242 O LEU C 24 21.708 16.248 0.459 1.00 0.00 O ATOM 243 CB LEU C 24 24.066 18.099 -1.128 1.00 0.00 C ATOM 244 CG LEU C 24 24.708 18.015 -2.515 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.592 19.374 -3.210 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.184 17.641 -2.376 1.00 0.00 C ATOM 0 H LEU C 24 22.784 16.295 -2.409 1.00 0.00 H new ATOM 0 HA LEU C 24 24.761 16.272 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.124 18.644 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.714 18.654 -0.450 1.00 0.00 H new ATOM 0 HG LEU C 24 24.196 17.255 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.048 19.317 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.540 19.643 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.104 20.131 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.639 17.582 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU C 24 26.697 18.399 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.269 16.675 -1.879 1.00 0.00 H new ATOM 258 N SER C 25 23.165 17.395 1.639 1.00 0.00 N ATOM 259 CA SER C 25 22.226 17.508 2.789 1.00 0.00 C ATOM 260 C SER C 25 21.808 18.970 2.954 1.00 0.00 C ATOM 261 O SER C 25 22.623 19.826 3.236 1.00 0.00 O ATOM 262 CB SER C 25 22.931 17.037 4.063 1.00 0.00 C ATOM 263 OG SER C 25 22.597 15.682 4.322 1.00 0.00 O ATOM 0 H SER C 25 24.072 17.841 1.776 1.00 0.00 H new ATOM 0 HA SER C 25 21.345 16.892 2.608 1.00 0.00 H new ATOM 0 HB2 SER C 25 24.010 17.141 3.952 1.00 0.00 H new ATOM 0 HB3 SER C 25 22.636 17.662 4.906 1.00 0.00 H new ATOM 0 HG SER C 25 23.051 15.383 5.137 1.00 0.00 H new ATOM 269 N PHE C 26 20.548 19.270 2.783 1.00 0.00 N ATOM 270 CA PHE C 26 20.108 20.687 2.936 1.00 0.00 C ATOM 271 C PHE C 26 19.172 20.802 4.138 1.00 0.00 C ATOM 272 O PHE C 26 18.706 19.816 4.671 1.00 0.00 O ATOM 273 CB PHE C 26 19.396 21.166 1.663 1.00 0.00 C ATOM 274 CG PHE C 26 18.087 20.403 1.452 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.944 20.785 2.126 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.020 19.351 0.554 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.748 20.128 1.906 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.824 18.696 0.334 1.00 0.00 C ATOM 279 CZ PHE C 26 15.690 19.085 1.009 1.00 0.00 C ATOM 0 H PHE C 26 19.812 18.604 2.547 1.00 0.00 H new ATOM 0 HA PHE C 26 20.983 21.317 3.098 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.192 22.234 1.735 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.048 21.024 0.801 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.985 21.603 2.830 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.908 19.041 0.023 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.859 20.433 2.438 1.00 0.00 H new ATOM 0 HE2 PHE C 26 16.779 17.877 -0.369 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.755 18.573 0.835 1.00 0.00 H new ATOM 289 N LYS C 27 18.901 21.998 4.580 1.00 0.00 N ATOM 290 CA LYS C 27 17.996 22.167 5.749 1.00 0.00 C ATOM 291 C LYS C 27 16.895 23.170 5.409 1.00 0.00 C ATOM 292 O LYS C 27 16.881 23.760 4.346 1.00 0.00 O ATOM 293 CB LYS C 27 18.800 22.678 6.946 1.00 0.00 C ATOM 294 CG LYS C 27 19.371 21.489 7.722 1.00 0.00 C ATOM 295 CD LYS C 27 20.068 21.994 8.987 1.00 0.00 C ATOM 296 CE LYS C 27 20.093 20.877 10.032 1.00 0.00 C ATOM 297 NZ LYS C 27 21.427 20.849 10.695 1.00 0.00 N ATOM 0 H LYS C 27 19.266 22.864 4.183 1.00 0.00 H new ATOM 0 HA LYS C 27 17.544 21.207 5.996 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.608 23.325 6.605 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.163 23.278 7.596 1.00 0.00 H new ATOM 0 HG2 LYS C 27 18.572 20.796 7.986 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.077 20.940 7.099 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.084 22.312 8.754 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.544 22.865 9.381 1.00 0.00 H new ATOM 0 HE2 LYS C 27 19.310 21.039 10.773 1.00 0.00 H new ATOM 0 HE3 LYS C 27 19.890 19.916 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 21.446 20.090 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 22.165 20.675 9.983 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 21.603 21.763 11.160 1.00 0.00 H new ATOM 311 N LYS C 28 15.970 23.367 6.306 1.00 0.00 N ATOM 312 CA LYS C 28 14.867 24.329 6.044 1.00 0.00 C ATOM 313 C LYS C 28 15.414 25.759 6.129 1.00 0.00 C ATOM 314 O LYS C 28 15.727 26.254 7.195 1.00 0.00 O ATOM 315 CB LYS C 28 13.760 24.115 7.088 1.00 0.00 C ATOM 316 CG LYS C 28 12.905 25.378 7.223 1.00 0.00 C ATOM 317 CD LYS C 28 12.330 25.751 5.855 1.00 0.00 C ATOM 318 CE LYS C 28 12.201 27.271 5.758 1.00 0.00 C ATOM 319 NZ LYS C 28 10.777 27.660 5.964 1.00 0.00 N ATOM 0 H LYS C 28 15.931 22.901 7.212 1.00 0.00 H new ATOM 0 HA LYS C 28 14.454 24.169 5.048 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.133 23.273 6.796 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.203 23.863 8.051 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.097 25.209 7.935 1.00 0.00 H new ATOM 0 HG3 LYS C 28 13.508 26.199 7.612 1.00 0.00 H new ATOM 0 HD2 LYS C 28 12.978 25.378 5.062 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.356 25.282 5.717 1.00 0.00 H new ATOM 0 HE2 LYS C 28 12.832 27.749 6.507 1.00 0.00 H new ATOM 0 HE3 LYS C 28 12.546 27.615 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.687 28.694 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.186 27.214 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 10.463 27.344 6.904 1.00 0.00 H new ATOM 333 N GLY C 29 15.533 26.424 5.012 1.00 0.00 N ATOM 334 CA GLY C 29 16.059 27.818 5.024 1.00 0.00 C ATOM 335 C GLY C 29 16.914 28.048 3.775 1.00 0.00 C ATOM 336 O GLY C 29 16.999 29.147 3.262 1.00 0.00 O ATOM 0 H GLY C 29 15.288 26.061 4.091 1.00 0.00 H new ATOM 0 HA2 GLY C 29 15.234 28.530 5.050 1.00 0.00 H new ATOM 0 HA3 GLY C 29 16.654 27.987 5.922 1.00 0.00 H new ATOM 340 N GLU C 30 17.546 27.018 3.278 1.00 0.00 N ATOM 341 CA GLU C 30 18.393 27.178 2.062 1.00 0.00 C ATOM 342 C GLU C 30 17.544 26.936 0.814 1.00 0.00 C ATOM 343 O GLU C 30 16.684 26.077 0.793 1.00 0.00 O ATOM 344 CB GLU C 30 19.541 26.164 2.101 1.00 0.00 C ATOM 345 CG GLU C 30 20.573 26.520 1.028 1.00 0.00 C ATOM 346 CD GLU C 30 21.929 25.920 1.404 1.00 0.00 C ATOM 347 OE1 GLU C 30 22.085 24.719 1.259 1.00 0.00 O ATOM 348 OE2 GLU C 30 22.789 26.673 1.830 1.00 0.00 O ATOM 0 H GLU C 30 17.512 26.074 3.662 1.00 0.00 H new ATOM 0 HA GLU C 30 18.801 28.188 2.035 1.00 0.00 H new ATOM 0 HB2 GLU C 30 20.009 26.166 3.086 1.00 0.00 H new ATOM 0 HB3 GLU C 30 19.158 25.158 1.932 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.251 26.139 0.059 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.656 27.603 0.934 1.00 0.00 H new ATOM 355 N ARG C 31 17.776 27.687 -0.227 1.00 0.00 N ATOM 356 CA ARG C 31 16.982 27.501 -1.474 1.00 0.00 C ATOM 357 C ARG C 31 17.777 26.648 -2.465 1.00 0.00 C ATOM 358 O ARG C 31 18.977 26.783 -2.591 1.00 0.00 O ATOM 359 CB ARG C 31 16.692 28.869 -2.098 1.00 0.00 C ATOM 360 CG ARG C 31 15.914 29.729 -1.101 1.00 0.00 C ATOM 361 CD ARG C 31 16.865 30.727 -0.435 1.00 0.00 C ATOM 362 NE ARG C 31 17.051 31.907 -1.325 1.00 0.00 N ATOM 363 CZ ARG C 31 17.845 32.881 -0.968 1.00 0.00 C ATOM 364 NH1 ARG C 31 18.479 32.826 0.173 1.00 0.00 N ATOM 365 NH2 ARG C 31 18.005 33.913 -1.752 1.00 0.00 N ATOM 0 H ARG C 31 18.482 28.422 -0.268 1.00 0.00 H new ATOM 0 HA ARG C 31 16.044 27.000 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.625 29.362 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.117 28.747 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.112 30.261 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.447 29.097 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.461 31.044 0.527 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.826 30.253 -0.237 1.00 0.00 H new ATOM 0 HE ARG C 31 16.557 31.955 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG C 31 18.355 32.021 0.787 1.00 0.00 H new ATOM 0 HH12 ARG C 31 19.098 33.588 0.449 1.00 0.00 H new ATOM 0 HH21 ARG C 31 17.510 33.958 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.625 34.674 -1.474 1.00 0.00 H new ATOM 379 N LEU C 32 17.117 25.768 -3.169 1.00 0.00 N ATOM 380 CA LEU C 32 17.837 24.908 -4.149 1.00 0.00 C ATOM 381 C LEU C 32 17.352 25.240 -5.561 1.00 0.00 C ATOM 382 O LEU C 32 16.209 25.595 -5.767 1.00 0.00 O ATOM 383 CB LEU C 32 17.554 23.435 -3.845 1.00 0.00 C ATOM 384 CG LEU C 32 18.600 22.907 -2.863 1.00 0.00 C ATOM 385 CD1 LEU C 32 18.043 22.977 -1.439 1.00 0.00 C ATOM 386 CD2 LEU C 32 18.940 21.456 -3.208 1.00 0.00 C ATOM 0 H LEU C 32 16.111 25.608 -3.107 1.00 0.00 H new ATOM 0 HA LEU C 32 18.909 25.091 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.555 23.325 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU C 32 17.577 22.852 -4.766 1.00 0.00 H new ATOM 0 HG LEU C 32 19.502 23.516 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU C 32 18.788 22.601 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU C 32 17.803 24.011 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU C 32 17.141 22.369 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.686 21.081 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.039 20.846 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU C 32 19.337 21.407 -4.222 1.00 0.00 H new ATOM 398 N GLN C 33 18.211 25.128 -6.538 1.00 0.00 N ATOM 399 CA GLN C 33 17.792 25.439 -7.934 1.00 0.00 C ATOM 400 C GLN C 33 17.336 24.154 -8.628 1.00 0.00 C ATOM 401 O GLN C 33 18.126 23.445 -9.219 1.00 0.00 O ATOM 402 CB GLN C 33 18.974 26.041 -8.699 1.00 0.00 C ATOM 403 CG GLN C 33 18.454 26.826 -9.905 1.00 0.00 C ATOM 404 CD GLN C 33 18.891 28.288 -9.790 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.926 28.583 -9.225 1.00 0.00 O ATOM 406 NE2 GLN C 33 18.140 29.224 -10.306 1.00 0.00 N ATOM 0 H GLN C 33 19.182 24.835 -6.430 1.00 0.00 H new ATOM 0 HA GLN C 33 16.969 26.153 -7.916 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.548 26.697 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.648 25.250 -9.029 1.00 0.00 H new ATOM 0 HG2 GLN C 33 18.839 26.392 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.367 26.763 -9.952 1.00 0.00 H new ATOM 0 HE21 GLN C 33 17.271 28.977 -10.780 1.00 0.00 H new ATOM 0 HE22 GLN C 33 18.422 30.202 -10.235 1.00 0.00 H new ATOM 415 N ILE C 34 16.068 23.847 -8.559 1.00 0.00 N ATOM 416 CA ILE C 34 15.569 22.607 -9.217 1.00 0.00 C ATOM 417 C ILE C 34 16.188 22.498 -10.612 1.00 0.00 C ATOM 418 O ILE C 34 16.558 23.487 -11.214 1.00 0.00 O ATOM 419 CB ILE C 34 14.044 22.665 -9.335 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.423 22.744 -7.939 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.541 21.405 -10.043 1.00 0.00 C ATOM 422 CD1 ILE C 34 13.950 21.593 -7.079 1.00 0.00 C ATOM 0 H ILE C 34 15.359 24.400 -8.077 1.00 0.00 H new ATOM 0 HA ILE C 34 15.848 21.738 -8.622 1.00 0.00 H new ATOM 0 HB ILE C 34 13.759 23.547 -9.909 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.666 23.700 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.337 22.691 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.455 21.444 -10.128 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.981 21.347 -11.039 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.828 20.525 -9.467 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.507 21.650 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.684 20.642 -7.541 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.035 21.666 -6.998 1.00 0.00 H new ATOM 434 N VAL C 35 16.307 21.309 -11.133 1.00 0.00 N ATOM 435 CA VAL C 35 16.904 21.151 -12.487 1.00 0.00 C ATOM 436 C VAL C 35 15.862 20.594 -13.456 1.00 0.00 C ATOM 437 O VAL C 35 15.608 21.159 -14.501 1.00 0.00 O ATOM 438 CB VAL C 35 18.095 20.193 -12.407 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.596 19.882 -13.819 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.219 20.850 -11.601 1.00 0.00 C ATOM 0 H VAL C 35 16.017 20.442 -10.681 1.00 0.00 H new ATOM 0 HA VAL C 35 17.239 22.123 -12.848 1.00 0.00 H new ATOM 0 HB VAL C 35 17.787 19.268 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.444 19.200 -13.762 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.795 19.418 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL C 35 18.906 20.806 -14.307 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.069 20.171 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.526 21.774 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.863 21.074 -10.595 1.00 0.00 H new ATOM 450 N ASN C 36 15.256 19.493 -13.119 1.00 0.00 N ATOM 451 CA ASN C 36 14.231 18.907 -14.030 1.00 0.00 C ATOM 452 C ASN C 36 13.317 17.954 -13.252 1.00 0.00 C ATOM 453 O ASN C 36 13.152 18.077 -12.054 1.00 0.00 O ATOM 454 CB ASN C 36 14.933 18.138 -15.152 1.00 0.00 C ATOM 455 CG ASN C 36 14.441 18.650 -16.508 1.00 0.00 C ATOM 456 OD1 ASN C 36 13.402 18.240 -16.985 1.00 0.00 O ATOM 457 ND2 ASN C 36 15.149 19.538 -17.151 1.00 0.00 N ATOM 0 H ASN C 36 15.423 18.974 -12.257 1.00 0.00 H new ATOM 0 HA ASN C 36 13.628 19.710 -14.453 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.013 18.265 -15.074 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.730 17.071 -15.059 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.830 19.888 -18.054 1.00 0.00 H new ATOM 0 HD22 ASN C 36 16.022 19.882 -16.750 1.00 0.00 H new ATOM 464 N ASN C 37 12.720 17.012 -13.934 1.00 0.00 N ATOM 465 CA ASN C 37 11.812 16.037 -13.261 1.00 0.00 C ATOM 466 C ASN C 37 10.415 16.646 -13.111 1.00 0.00 C ATOM 467 O ASN C 37 9.519 16.331 -13.868 1.00 0.00 O ATOM 468 CB ASN C 37 12.374 15.657 -11.890 1.00 0.00 C ATOM 469 CG ASN C 37 11.941 14.228 -11.555 1.00 0.00 C ATOM 470 OD1 ASN C 37 10.947 14.022 -10.887 1.00 0.00 O ATOM 471 ND2 ASN C 37 12.647 13.224 -11.997 1.00 0.00 N ATOM 0 H ASN C 37 12.824 16.875 -14.939 1.00 0.00 H new ATOM 0 HA ASN C 37 11.741 15.136 -13.871 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.462 15.730 -11.895 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.012 16.349 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN C 37 12.364 12.268 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN C 37 13.482 13.395 -12.558 1.00 0.00 H new ATOM 478 N THR C 38 10.230 17.520 -12.153 1.00 0.00 N ATOM 479 CA THR C 38 8.895 18.163 -11.937 1.00 0.00 C ATOM 480 C THR C 38 7.762 17.189 -12.281 1.00 0.00 C ATOM 481 O THR C 38 6.710 17.585 -12.739 1.00 0.00 O ATOM 482 CB THR C 38 8.781 19.426 -12.805 1.00 0.00 C ATOM 483 OG1 THR C 38 7.758 20.260 -12.282 1.00 0.00 O ATOM 484 CG2 THR C 38 8.443 19.057 -14.254 1.00 0.00 C ATOM 0 H THR C 38 10.956 17.820 -11.503 1.00 0.00 H new ATOM 0 HA THR C 38 8.807 18.436 -10.886 1.00 0.00 H new ATOM 0 HB THR C 38 9.737 19.950 -12.792 1.00 0.00 H new ATOM 0 HG1 THR C 38 6.921 19.754 -12.225 1.00 0.00 H new ATOM 0 HG21 THR C 38 8.367 19.965 -14.852 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.229 18.420 -14.660 1.00 0.00 H new ATOM 0 HG23 THR C 38 7.493 18.523 -14.281 1.00 0.00 H new ATOM 492 N GLU C 39 7.966 15.917 -12.064 1.00 0.00 N ATOM 493 CA GLU C 39 6.898 14.929 -12.381 1.00 0.00 C ATOM 494 C GLU C 39 7.143 13.636 -11.603 1.00 0.00 C ATOM 495 O GLU C 39 6.227 13.022 -11.092 1.00 0.00 O ATOM 496 CB GLU C 39 6.915 14.628 -13.881 1.00 0.00 C ATOM 497 CG GLU C 39 5.562 14.994 -14.493 1.00 0.00 C ATOM 498 CD GLU C 39 5.262 14.058 -15.666 1.00 0.00 C ATOM 499 OE1 GLU C 39 5.481 12.867 -15.518 1.00 0.00 O ATOM 500 OE2 GLU C 39 4.818 14.548 -16.690 1.00 0.00 O ATOM 0 H GLU C 39 8.825 15.521 -11.682 1.00 0.00 H new ATOM 0 HA GLU C 39 5.929 15.342 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU C 39 7.710 15.194 -14.367 1.00 0.00 H new ATOM 0 HB3 GLU C 39 7.127 13.572 -14.048 1.00 0.00 H new ATOM 0 HG2 GLU C 39 4.777 14.915 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU C 39 5.573 16.029 -14.834 1.00 0.00 H new ATOM 507 N GLY C 40 8.374 13.218 -11.509 1.00 0.00 N ATOM 508 CA GLY C 40 8.683 11.964 -10.765 1.00 0.00 C ATOM 509 C GLY C 40 8.609 12.227 -9.260 1.00 0.00 C ATOM 510 O GLY C 40 7.942 13.138 -8.810 1.00 0.00 O ATOM 0 H GLY C 40 9.181 13.691 -11.916 1.00 0.00 H new ATOM 0 HA2 GLY C 40 7.977 11.181 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY C 40 9.677 11.606 -11.033 1.00 0.00 H new ATOM 514 N ASP C 41 9.289 11.435 -8.478 1.00 0.00 N ATOM 515 CA ASP C 41 9.258 11.638 -7.001 1.00 0.00 C ATOM 516 C ASP C 41 10.618 12.156 -6.530 1.00 0.00 C ATOM 517 O ASP C 41 10.762 12.634 -5.423 1.00 0.00 O ATOM 518 CB ASP C 41 8.952 10.308 -6.312 1.00 0.00 C ATOM 519 CG ASP C 41 7.828 10.511 -5.294 1.00 0.00 C ATOM 520 OD1 ASP C 41 6.947 11.310 -5.565 1.00 0.00 O ATOM 521 OD2 ASP C 41 7.866 9.864 -4.260 1.00 0.00 O ATOM 0 H ASP C 41 9.865 10.656 -8.797 1.00 0.00 H new ATOM 0 HA ASP C 41 8.486 12.364 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP C 41 8.659 9.562 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.845 9.930 -5.814 1.00 0.00 H new ATOM 526 N TRP C 42 11.619 12.062 -7.361 1.00 0.00 N ATOM 527 CA TRP C 42 12.968 12.550 -6.959 1.00 0.00 C ATOM 528 C TRP C 42 13.448 13.597 -7.963 1.00 0.00 C ATOM 529 O TRP C 42 13.455 13.370 -9.157 1.00 0.00 O ATOM 530 CB TRP C 42 13.948 11.377 -6.929 1.00 0.00 C ATOM 531 CG TRP C 42 13.959 10.770 -5.526 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.311 9.650 -5.164 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.598 11.285 -4.479 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.594 9.530 -3.866 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.390 10.506 -3.356 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.378 12.419 -4.397 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.964 10.866 -2.154 1.00 0.00 C ATOM 538 CZ3 TRP C 42 15.952 12.778 -3.195 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.745 12.000 -2.073 1.00 0.00 C ATOM 0 H TRP C 42 11.561 11.669 -8.300 1.00 0.00 H new ATOM 0 HA TRP C 42 12.914 12.998 -5.967 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.656 10.625 -7.662 1.00 0.00 H new ATOM 0 HB3 TRP C 42 14.948 11.715 -7.200 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.705 9.001 -5.778 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.239 8.761 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.540 13.027 -5.275 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.802 10.259 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.563 13.667 -3.132 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.195 12.280 -1.132 1.00 0.00 H new ATOM 550 N TRP C 43 13.852 14.744 -7.490 1.00 0.00 N ATOM 551 CA TRP C 43 14.330 15.805 -8.418 1.00 0.00 C ATOM 552 C TRP C 43 15.817 16.070 -8.191 1.00 0.00 C ATOM 553 O TRP C 43 16.385 15.694 -7.182 1.00 0.00 O ATOM 554 CB TRP C 43 13.557 17.095 -8.158 1.00 0.00 C ATOM 555 CG TRP C 43 12.060 16.833 -8.317 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.534 15.772 -8.945 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.092 17.640 -7.894 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.220 15.991 -8.883 1.00 0.00 N ATOM 559 CE2 TRP C 43 9.855 17.132 -8.242 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.181 18.826 -7.194 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.709 17.814 -7.889 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.034 19.506 -6.840 1.00 0.00 C ATOM 563 CH2 TRP C 43 8.797 19.000 -7.188 1.00 0.00 C ATOM 0 H TRP C 43 13.871 14.991 -6.501 1.00 0.00 H new ATOM 0 HA TRP C 43 14.171 15.472 -9.444 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.768 17.462 -7.154 1.00 0.00 H new ATOM 0 HB3 TRP C 43 13.877 17.870 -8.854 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.052 14.938 -9.395 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.539 15.349 -9.287 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.149 19.222 -6.923 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.741 17.419 -8.162 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.103 20.433 -6.291 1.00 0.00 H new ATOM 0 HH2 TRP C 43 7.899 19.532 -6.912 1.00 0.00 H new ATOM 574 N LEU C 44 16.446 16.726 -9.122 1.00 0.00 N ATOM 575 CA LEU C 44 17.894 17.030 -8.984 1.00 0.00 C ATOM 576 C LEU C 44 18.056 18.546 -8.909 1.00 0.00 C ATOM 577 O LEU C 44 17.719 19.257 -9.832 1.00 0.00 O ATOM 578 CB LEU C 44 18.649 16.491 -10.201 1.00 0.00 C ATOM 579 CG LEU C 44 20.134 16.840 -10.078 1.00 0.00 C ATOM 580 CD1 LEU C 44 20.951 15.921 -10.988 1.00 0.00 C ATOM 581 CD2 LEU C 44 20.354 18.294 -10.499 1.00 0.00 C ATOM 0 H LEU C 44 16.015 17.068 -9.981 1.00 0.00 H new ATOM 0 HA LEU C 44 18.296 16.562 -8.085 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.523 15.411 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.239 16.919 -11.115 1.00 0.00 H new ATOM 0 HG LEU C 44 20.452 16.708 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.009 16.169 -10.901 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.796 14.884 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.631 16.054 -12.021 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.412 18.542 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.035 18.426 -11.533 1.00 0.00 H new ATOM 0 HD23 LEU C 44 19.772 18.952 -9.853 1.00 0.00 H new ATOM 593 N ALA C 45 18.560 19.054 -7.821 1.00 0.00 N ATOM 594 CA ALA C 45 18.729 20.528 -7.716 1.00 0.00 C ATOM 595 C ALA C 45 20.209 20.877 -7.545 1.00 0.00 C ATOM 596 O ALA C 45 20.982 20.114 -7.001 1.00 0.00 O ATOM 597 CB ALA C 45 17.941 21.043 -6.511 1.00 0.00 C ATOM 0 H ALA C 45 18.860 18.518 -7.007 1.00 0.00 H new ATOM 0 HA ALA C 45 18.357 20.996 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.063 22.123 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.885 20.805 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.313 20.568 -5.603 1.00 0.00 H new ATOM 603 N HIS C 46 20.604 22.030 -8.012 1.00 0.00 N ATOM 604 CA HIS C 46 22.028 22.445 -7.887 1.00 0.00 C ATOM 605 C HIS C 46 22.121 23.603 -6.886 1.00 0.00 C ATOM 606 O HIS C 46 21.341 24.533 -6.923 1.00 0.00 O ATOM 607 CB HIS C 46 22.544 22.892 -9.264 1.00 0.00 C ATOM 608 CG HIS C 46 23.740 23.836 -9.104 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.941 23.472 -8.917 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.786 25.218 -9.122 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.711 24.490 -8.818 1.00 0.00 C ATOM 612 NE2 HIS C 46 25.051 25.630 -8.938 1.00 0.00 N ATOM 0 H HIS C 46 19.997 22.705 -8.477 1.00 0.00 H new ATOM 0 HA HIS C 46 22.636 21.613 -7.532 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.836 22.021 -9.851 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.747 23.394 -9.813 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.934 25.867 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.777 24.425 -8.655 1.00 0.00 H new ATOM 0 HE2 HIS C 46 25.412 26.583 -8.900 1.00 0.00 H new ATOM 620 N SER C 47 23.069 23.550 -5.991 1.00 0.00 N ATOM 621 CA SER C 47 23.209 24.645 -4.990 1.00 0.00 C ATOM 622 C SER C 47 24.027 25.789 -5.593 1.00 0.00 C ATOM 623 O SER C 47 24.835 25.589 -6.478 1.00 0.00 O ATOM 624 CB SER C 47 23.923 24.111 -3.746 1.00 0.00 C ATOM 625 OG SER C 47 23.144 23.081 -3.158 1.00 0.00 O ATOM 0 H SER C 47 23.752 22.797 -5.910 1.00 0.00 H new ATOM 0 HA SER C 47 22.220 25.011 -4.714 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.907 23.728 -4.015 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.079 24.917 -3.029 1.00 0.00 H new ATOM 0 HG SER C 47 23.602 22.738 -2.362 1.00 0.00 H new ATOM 631 N LEU C 48 23.825 26.988 -5.117 1.00 0.00 N ATOM 632 CA LEU C 48 24.589 28.144 -5.661 1.00 0.00 C ATOM 633 C LEU C 48 25.669 28.558 -4.659 1.00 0.00 C ATOM 634 O LEU C 48 26.155 29.671 -4.678 1.00 0.00 O ATOM 635 CB LEU C 48 23.637 29.319 -5.897 1.00 0.00 C ATOM 636 CG LEU C 48 22.521 28.886 -6.851 1.00 0.00 C ATOM 637 CD1 LEU C 48 21.368 29.888 -6.774 1.00 0.00 C ATOM 638 CD2 LEU C 48 23.063 28.840 -8.281 1.00 0.00 C ATOM 0 H LEU C 48 23.163 27.216 -4.375 1.00 0.00 H new ATOM 0 HA LEU C 48 25.056 27.859 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.212 29.653 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU C 48 24.182 30.164 -6.317 1.00 0.00 H new ATOM 0 HG LEU C 48 22.162 27.897 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU C 48 20.573 29.580 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.982 29.921 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU C 48 21.726 30.877 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU C 48 22.269 28.532 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.422 29.829 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.885 28.126 -8.336 1.00 0.00 H new ATOM 650 N THR C 49 26.047 27.669 -3.782 1.00 0.00 N ATOM 651 CA THR C 49 27.093 28.009 -2.779 1.00 0.00 C ATOM 652 C THR C 49 28.458 27.535 -3.287 1.00 0.00 C ATOM 653 O THR C 49 29.158 28.252 -3.973 1.00 0.00 O ATOM 654 CB THR C 49 26.771 27.317 -1.452 1.00 0.00 C ATOM 655 OG1 THR C 49 25.579 27.868 -0.911 1.00 0.00 O ATOM 656 CG2 THR C 49 27.926 27.525 -0.470 1.00 0.00 C ATOM 0 H THR C 49 25.676 26.721 -3.717 1.00 0.00 H new ATOM 0 HA THR C 49 27.117 29.088 -2.628 1.00 0.00 H new ATOM 0 HB THR C 49 26.633 26.249 -1.622 1.00 0.00 H new ATOM 0 HG1 THR C 49 25.370 27.425 -0.062 1.00 0.00 H new ATOM 0 HG21 THR C 49 27.694 27.031 0.474 1.00 0.00 H new ATOM 0 HG22 THR C 49 28.839 27.100 -0.887 1.00 0.00 H new ATOM 0 HG23 THR C 49 28.068 28.592 -0.296 1.00 0.00 H new ATOM 664 N THR C 50 28.840 26.333 -2.956 1.00 0.00 N ATOM 665 CA THR C 50 30.158 25.816 -3.420 1.00 0.00 C ATOM 666 C THR C 50 30.029 25.309 -4.859 1.00 0.00 C ATOM 667 O THR C 50 31.010 25.106 -5.545 1.00 0.00 O ATOM 668 CB THR C 50 30.605 24.668 -2.512 1.00 0.00 C ATOM 669 OG1 THR C 50 31.802 24.100 -3.024 1.00 0.00 O ATOM 670 CG2 THR C 50 29.512 23.599 -2.458 1.00 0.00 C ATOM 0 H THR C 50 28.297 25.686 -2.384 1.00 0.00 H new ATOM 0 HA THR C 50 30.896 26.617 -3.382 1.00 0.00 H new ATOM 0 HB THR C 50 30.784 25.049 -1.507 1.00 0.00 H new ATOM 0 HG1 THR C 50 32.090 23.366 -2.443 1.00 0.00 H new ATOM 0 HG21 THR C 50 29.833 22.783 -1.811 1.00 0.00 H new ATOM 0 HG22 THR C 50 28.595 24.036 -2.063 1.00 0.00 H new ATOM 0 HG23 THR C 50 29.328 23.215 -3.462 1.00 0.00 H new ATOM 678 N GLY C 51 28.826 25.103 -5.320 1.00 0.00 N ATOM 679 CA GLY C 51 28.636 24.610 -6.714 1.00 0.00 C ATOM 680 C GLY C 51 28.717 23.082 -6.730 1.00 0.00 C ATOM 681 O GLY C 51 29.785 22.509 -6.816 1.00 0.00 O ATOM 0 H GLY C 51 27.966 25.255 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.670 24.938 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY C 51 29.399 25.032 -7.368 1.00 0.00 H new ATOM 685 N GLN C 52 27.597 22.419 -6.648 1.00 0.00 N ATOM 686 CA GLN C 52 27.612 20.929 -6.659 1.00 0.00 C ATOM 687 C GLN C 52 26.191 20.403 -6.871 1.00 0.00 C ATOM 688 O GLN C 52 25.221 21.099 -6.645 1.00 0.00 O ATOM 689 CB GLN C 52 28.149 20.414 -5.323 1.00 0.00 C ATOM 690 CG GLN C 52 29.562 19.863 -5.518 1.00 0.00 C ATOM 691 CD GLN C 52 29.492 18.518 -6.244 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.937 18.398 -7.370 1.00 0.00 O ATOM 693 NE2 GLN C 52 28.949 17.494 -5.646 1.00 0.00 N ATOM 0 H GLN C 52 26.673 22.844 -6.574 1.00 0.00 H new ATOM 0 HA GLN C 52 28.253 20.581 -7.469 1.00 0.00 H new ATOM 0 HB2 GLN C 52 28.160 21.220 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN C 52 27.494 19.635 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN C 52 30.162 20.568 -6.094 1.00 0.00 H new ATOM 0 HG3 GLN C 52 30.052 19.741 -4.552 1.00 0.00 H new ATOM 0 HE21 GLN C 52 28.576 17.594 -4.702 1.00 0.00 H new ATOM 0 HE22 GLN C 52 28.898 16.593 -6.122 1.00 0.00 H new ATOM 702 N THR C 53 26.064 19.180 -7.305 1.00 0.00 N ATOM 703 CA THR C 53 24.708 18.604 -7.533 1.00 0.00 C ATOM 704 C THR C 53 24.123 18.148 -6.197 1.00 0.00 C ATOM 705 O THR C 53 24.842 17.851 -5.264 1.00 0.00 O ATOM 706 CB THR C 53 24.820 17.403 -8.472 1.00 0.00 C ATOM 707 OG1 THR C 53 25.983 17.538 -9.276 1.00 0.00 O ATOM 708 CG2 THR C 53 23.582 17.333 -9.365 1.00 0.00 C ATOM 0 H THR C 53 26.841 18.553 -7.512 1.00 0.00 H new ATOM 0 HA THR C 53 24.060 19.358 -7.979 1.00 0.00 H new ATOM 0 HB THR C 53 24.891 16.488 -7.884 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.056 16.767 -9.877 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.664 16.476 -10.034 1.00 0.00 H new ATOM 0 HG22 THR C 53 22.692 17.226 -8.745 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.506 18.247 -9.954 1.00 0.00 H new ATOM 716 N GLY C 54 22.823 18.086 -6.095 1.00 0.00 N ATOM 717 CA GLY C 54 22.204 17.647 -4.814 1.00 0.00 C ATOM 718 C GLY C 54 20.816 17.059 -5.081 1.00 0.00 C ATOM 719 O GLY C 54 19.825 17.763 -5.089 1.00 0.00 O ATOM 0 H GLY C 54 22.166 18.319 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.837 16.903 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.125 18.492 -4.130 1.00 0.00 H new ATOM 723 N TYR C 55 20.735 15.776 -5.309 1.00 0.00 N ATOM 724 CA TYR C 55 19.413 15.152 -5.572 1.00 0.00 C ATOM 725 C TYR C 55 18.554 15.289 -4.315 1.00 0.00 C ATOM 726 O TYR C 55 18.828 14.685 -3.297 1.00 0.00 O ATOM 727 CB TYR C 55 19.607 13.673 -5.908 1.00 0.00 C ATOM 728 CG TYR C 55 20.857 13.503 -6.774 1.00 0.00 C ATOM 729 CD1 TYR C 55 21.285 14.527 -7.593 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.573 12.322 -6.750 1.00 0.00 C ATOM 731 CE1 TYR C 55 22.410 14.373 -8.378 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.697 12.169 -7.535 1.00 0.00 C ATOM 733 CZ TYR C 55 23.124 13.193 -8.354 1.00 0.00 C ATOM 734 OH TYR C 55 24.247 13.040 -9.141 1.00 0.00 O ATOM 0 H TYR C 55 21.529 15.136 -5.324 1.00 0.00 H new ATOM 0 HA TYR C 55 18.923 15.645 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.705 13.091 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.732 13.292 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR C 55 20.736 15.456 -7.620 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.250 11.512 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR C 55 22.734 15.182 -9.016 1.00 0.00 H new ATOM 0 HE2 TYR C 55 23.247 11.240 -7.508 1.00 0.00 H new ATOM 0 HH TYR C 55 24.627 12.148 -8.999 1.00 0.00 H new ATOM 744 N ILE C 56 17.515 16.076 -4.373 1.00 0.00 N ATOM 745 CA ILE C 56 16.650 16.244 -3.173 1.00 0.00 C ATOM 746 C ILE C 56 15.272 15.627 -3.431 1.00 0.00 C ATOM 747 O ILE C 56 14.795 15.624 -4.549 1.00 0.00 O ATOM 748 CB ILE C 56 16.489 17.735 -2.870 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.814 18.428 -4.054 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.868 18.356 -2.635 1.00 0.00 C ATOM 751 CD1 ILE C 56 15.000 19.622 -3.551 1.00 0.00 C ATOM 0 H ILE C 56 17.229 16.607 -5.195 1.00 0.00 H new ATOM 0 HA ILE C 56 17.114 15.742 -2.324 1.00 0.00 H new ATOM 0 HB ILE C 56 15.874 17.861 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.565 18.762 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.165 17.726 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.757 19.419 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.350 17.863 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.481 18.230 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.519 20.116 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.239 19.275 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE C 56 15.661 20.327 -3.047 1.00 0.00 H new ATOM 763 N PRO C 57 14.677 15.117 -2.382 1.00 0.00 N ATOM 764 CA PRO C 57 13.348 14.487 -2.466 1.00 0.00 C ATOM 765 C PRO C 57 12.310 15.517 -2.926 1.00 0.00 C ATOM 766 O PRO C 57 12.422 16.694 -2.642 1.00 0.00 O ATOM 767 CB PRO C 57 13.044 14.014 -1.038 1.00 0.00 C ATOM 768 CG PRO C 57 14.228 14.449 -0.135 1.00 0.00 C ATOM 769 CD PRO C 57 15.280 15.118 -1.034 1.00 0.00 C ATOM 0 HA PRO C 57 13.320 13.664 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.111 14.450 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO C 57 12.921 12.931 -1.012 1.00 0.00 H new ATOM 0 HG2 PRO C 57 13.887 15.141 0.635 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.655 13.587 0.377 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.500 16.132 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.220 14.567 -1.021 1.00 0.00 H new ATOM 777 N SER C 58 11.302 15.086 -3.633 1.00 0.00 N ATOM 778 CA SER C 58 10.264 16.042 -4.107 1.00 0.00 C ATOM 779 C SER C 58 9.269 16.323 -2.977 1.00 0.00 C ATOM 780 O SER C 58 8.262 16.974 -3.174 1.00 0.00 O ATOM 781 CB SER C 58 9.528 15.433 -5.304 1.00 0.00 C ATOM 782 OG SER C 58 8.251 14.965 -4.894 1.00 0.00 O ATOM 0 H SER C 58 11.153 14.114 -3.902 1.00 0.00 H new ATOM 0 HA SER C 58 10.737 16.977 -4.407 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.417 16.178 -6.092 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.110 14.611 -5.721 1.00 0.00 H new ATOM 0 HG SER C 58 7.782 14.577 -5.663 1.00 0.00 H new ATOM 788 N ASN C 59 9.542 15.840 -1.796 1.00 0.00 N ATOM 789 CA ASN C 59 8.610 16.083 -0.659 1.00 0.00 C ATOM 790 C ASN C 59 9.298 16.958 0.392 1.00 0.00 C ATOM 791 O ASN C 59 8.674 17.442 1.315 1.00 0.00 O ATOM 792 CB ASN C 59 8.216 14.745 -0.030 1.00 0.00 C ATOM 793 CG ASN C 59 7.231 14.020 -0.951 1.00 0.00 C ATOM 794 OD1 ASN C 59 6.034 14.192 -0.833 1.00 0.00 O ATOM 795 ND2 ASN C 59 7.689 13.212 -1.867 1.00 0.00 N ATOM 0 H ASN C 59 10.369 15.288 -1.569 1.00 0.00 H new ATOM 0 HA ASN C 59 7.718 16.592 -1.024 1.00 0.00 H new ATOM 0 HB2 ASN C 59 9.102 14.130 0.129 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.763 14.910 0.948 1.00 0.00 H new ATOM 0 HD21 ASN C 59 7.042 12.723 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN C 59 8.694 13.069 -1.964 1.00 0.00 H new ATOM 802 N TYR C 60 10.580 17.165 0.260 1.00 0.00 N ATOM 803 CA TYR C 60 11.304 18.010 1.253 1.00 0.00 C ATOM 804 C TYR C 60 11.434 19.436 0.716 1.00 0.00 C ATOM 805 O TYR C 60 12.101 20.268 1.297 1.00 0.00 O ATOM 806 CB TYR C 60 12.701 17.433 1.493 1.00 0.00 C ATOM 807 CG TYR C 60 12.596 16.206 2.401 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.729 15.178 2.093 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.368 16.112 3.541 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.636 14.071 2.914 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.275 15.007 4.361 1.00 0.00 C ATOM 812 CZ TYR C 60 12.408 13.978 4.054 1.00 0.00 C ATOM 813 OH TYR C 60 12.314 12.873 4.875 1.00 0.00 O ATOM 0 H TYR C 60 11.157 16.786 -0.491 1.00 0.00 H new ATOM 0 HA TYR C 60 10.746 18.022 2.189 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.161 17.158 0.544 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.343 18.185 1.952 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.119 15.239 1.204 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.050 16.910 3.793 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.954 13.272 2.662 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.885 14.946 5.250 1.00 0.00 H new ATOM 0 HH TYR C 60 11.518 12.354 4.636 1.00 0.00 H new ATOM 823 N VAL C 61 10.798 19.725 -0.388 1.00 0.00 N ATOM 824 CA VAL C 61 10.887 21.097 -0.961 1.00 0.00 C ATOM 825 C VAL C 61 9.525 21.503 -1.522 1.00 0.00 C ATOM 826 O VAL C 61 8.633 20.693 -1.672 1.00 0.00 O ATOM 827 CB VAL C 61 11.939 21.114 -2.078 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.796 19.854 -2.936 1.00 0.00 C ATOM 829 CG2 VAL C 61 11.758 22.351 -2.961 1.00 0.00 C ATOM 0 H VAL C 61 10.222 19.070 -0.916 1.00 0.00 H new ATOM 0 HA VAL C 61 11.178 21.803 -0.183 1.00 0.00 H new ATOM 0 HB VAL C 61 12.930 21.143 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.544 19.867 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.943 18.971 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.800 19.825 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.511 22.349 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.764 22.336 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL C 61 11.869 23.250 -2.355 1.00 0.00 H new ATOM 839 N ALA C 62 9.363 22.759 -1.829 1.00 0.00 N ATOM 840 CA ALA C 62 8.062 23.231 -2.382 1.00 0.00 C ATOM 841 C ALA C 62 8.279 24.543 -3.140 1.00 0.00 C ATOM 842 O ALA C 62 9.105 25.348 -2.758 1.00 0.00 O ATOM 843 CB ALA C 62 7.073 23.462 -1.237 1.00 0.00 C ATOM 0 H ALA C 62 10.076 23.481 -1.721 1.00 0.00 H new ATOM 0 HA ALA C 62 7.661 22.479 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.122 23.807 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA C 62 6.919 22.529 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.473 24.215 -0.557 1.00 0.00 H new ATOM 849 N PRO C 63 7.529 24.721 -4.200 1.00 0.00 N ATOM 850 CA PRO C 63 7.623 25.933 -5.030 1.00 0.00 C ATOM 851 C PRO C 63 7.236 27.163 -4.205 1.00 0.00 C ATOM 852 O PRO C 63 6.474 27.076 -3.263 1.00 0.00 O ATOM 853 CB PRO C 63 6.618 25.710 -6.169 1.00 0.00 C ATOM 854 CG PRO C 63 5.928 24.342 -5.926 1.00 0.00 C ATOM 855 CD PRO C 63 6.535 23.730 -4.654 1.00 0.00 C ATOM 0 HA PRO C 63 8.632 26.105 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO C 63 5.880 26.512 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.125 25.717 -7.134 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.852 24.472 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.080 23.680 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO C 63 5.772 23.557 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.002 22.767 -4.862 1.00 0.00 H new ATOM 863 N SER C 64 7.755 28.309 -4.550 1.00 0.00 N ATOM 864 CA SER C 64 7.415 29.540 -3.782 1.00 0.00 C ATOM 865 C SER C 64 8.210 30.723 -4.336 1.00 0.00 C ATOM 866 O SER C 64 7.709 31.833 -4.266 1.00 0.00 O ATOM 867 CB SER C 64 7.767 29.335 -2.307 1.00 0.00 C ATOM 868 OG SER C 64 9.046 29.894 -2.046 1.00 0.00 O ATOM 869 OXT SER C 64 9.306 30.499 -4.822 1.00 0.00 O ATOM 0 H SER C 64 8.399 28.446 -5.329 1.00 0.00 H new ATOM 0 HA SER C 64 6.348 29.743 -3.876 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.016 29.806 -1.673 1.00 0.00 H new ATOM 0 HB3 SER C 64 7.766 28.272 -2.066 1.00 0.00 H new ATOM 0 HG SER C 64 9.273 29.765 -1.101 1.00 0.00 H new ATOM 876 N ALA A 71 6.200 10.071 11.417 1.00 0.00 N ATOM 877 CA ALA A 71 7.602 10.000 11.915 1.00 0.00 C ATOM 878 C ALA A 71 8.450 11.054 11.201 1.00 0.00 C ATOM 879 O ALA A 71 9.007 10.810 10.149 1.00 0.00 O ATOM 880 CB ALA A 71 8.173 8.609 11.633 1.00 0.00 C ATOM 0 HA ALA A 71 7.617 10.188 12.989 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.199 8.556 11.997 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.568 7.858 12.141 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.159 8.421 10.559 1.00 0.00 H new ATOM 888 N PHE A 72 8.554 12.227 11.765 1.00 0.00 N ATOM 889 CA PHE A 72 9.366 13.297 11.118 1.00 0.00 C ATOM 890 C PHE A 72 9.024 13.370 9.629 1.00 0.00 C ATOM 891 O PHE A 72 8.092 12.741 9.167 1.00 0.00 O ATOM 892 CB PHE A 72 10.854 12.978 11.289 1.00 0.00 C ATOM 893 CG PHE A 72 11.150 12.676 12.761 1.00 0.00 C ATOM 894 CD1 PHE A 72 10.284 13.102 13.755 1.00 0.00 C ATOM 895 CD2 PHE A 72 12.286 11.973 13.118 1.00 0.00 C ATOM 896 CE1 PHE A 72 10.553 12.829 15.080 1.00 0.00 C ATOM 897 CE2 PHE A 72 12.554 11.702 14.445 1.00 0.00 C ATOM 898 CZ PHE A 72 11.687 12.129 15.425 1.00 0.00 C ATOM 0 H PHE A 72 8.112 12.490 12.646 1.00 0.00 H new ATOM 0 HA PHE A 72 9.144 14.256 11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 72 11.126 12.123 10.670 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.458 13.821 10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.393 13.651 13.491 1.00 0.00 H new ATOM 0 HD2 PHE A 72 12.969 11.633 12.353 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.873 13.165 15.848 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.445 11.154 14.714 1.00 0.00 H new ATOM 0 HZ PHE A 72 11.896 11.915 16.463 1.00 0.00 H new ATOM 908 N ALA A 73 9.766 14.138 8.877 1.00 0.00 N ATOM 909 CA ALA A 73 9.486 14.254 7.415 1.00 0.00 C ATOM 910 C ALA A 73 9.147 12.873 6.845 1.00 0.00 C ATOM 911 O ALA A 73 9.574 11.865 7.373 1.00 0.00 O ATOM 912 CB ALA A 73 10.722 14.809 6.703 1.00 0.00 C ATOM 0 H ALA A 73 10.555 14.691 9.212 1.00 0.00 H new ATOM 0 HA ALA A 73 8.642 14.926 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.519 14.894 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.963 15.792 7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.565 14.136 6.860 1.00 0.00 H new ATOM 918 N PRO A 74 8.386 12.871 5.779 1.00 0.00 N ATOM 919 CA PRO A 74 7.973 11.622 5.115 1.00 0.00 C ATOM 920 C PRO A 74 9.206 10.839 4.647 1.00 0.00 C ATOM 921 O PRO A 74 10.175 11.423 4.207 1.00 0.00 O ATOM 922 CB PRO A 74 7.135 12.076 3.912 1.00 0.00 C ATOM 923 CG PRO A 74 7.089 13.627 3.928 1.00 0.00 C ATOM 924 CD PRO A 74 7.887 14.106 5.149 1.00 0.00 C ATOM 0 HA PRO A 74 7.413 10.964 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.575 11.716 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.128 11.663 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.515 14.032 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.059 13.978 3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.708 14.759 4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.258 14.674 5.835 1.00 0.00 H new ATOM 932 N PRO A 75 9.132 9.535 4.758 1.00 0.00 N ATOM 933 CA PRO A 75 10.239 8.654 4.348 1.00 0.00 C ATOM 934 C PRO A 75 10.505 8.809 2.848 1.00 0.00 C ATOM 935 O PRO A 75 9.605 9.065 2.074 1.00 0.00 O ATOM 936 CB PRO A 75 9.750 7.233 4.665 1.00 0.00 C ATOM 937 CG PRO A 75 8.317 7.348 5.249 1.00 0.00 C ATOM 938 CD PRO A 75 7.948 8.839 5.296 1.00 0.00 C ATOM 0 HA PRO A 75 11.171 8.889 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.748 6.619 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.417 6.749 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.607 6.798 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.275 6.912 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.061 9.046 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.728 9.161 6.314 1.00 0.00 H new ATOM 946 N LEU A 76 11.732 8.660 2.432 1.00 0.00 N ATOM 947 CA LEU A 76 12.048 8.799 0.984 1.00 0.00 C ATOM 948 C LEU A 76 11.414 7.631 0.215 1.00 0.00 C ATOM 949 O LEU A 76 11.443 6.510 0.681 1.00 0.00 O ATOM 950 CB LEU A 76 13.565 8.778 0.791 1.00 0.00 C ATOM 951 CG LEU A 76 14.214 9.785 1.744 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.735 9.707 1.611 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.743 11.197 1.391 1.00 0.00 C ATOM 0 H LEU A 76 12.529 8.448 3.032 1.00 0.00 H new ATOM 0 HA LEU A 76 11.650 9.742 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.953 7.778 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.815 9.025 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 76 13.927 9.551 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.197 10.424 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.071 8.701 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.023 9.940 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.205 11.915 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.030 11.430 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.659 11.253 1.486 1.00 0.00 H new ATOM 965 N PRO A 77 10.830 7.936 -0.923 1.00 0.00 N ATOM 966 CA PRO A 77 10.177 6.922 -1.775 1.00 0.00 C ATOM 967 C PRO A 77 11.216 6.124 -2.578 1.00 0.00 C ATOM 968 O PRO A 77 11.147 6.053 -3.788 1.00 0.00 O ATOM 969 CB PRO A 77 9.303 7.736 -2.736 1.00 0.00 C ATOM 970 CG PRO A 77 9.710 9.226 -2.585 1.00 0.00 C ATOM 971 CD PRO A 77 10.703 9.320 -1.415 1.00 0.00 C ATOM 0 HA PRO A 77 9.611 6.201 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.447 7.401 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.247 7.601 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.166 9.594 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.833 9.845 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.665 9.714 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.334 9.986 -0.635 1.00 0.00 H new ATOM 979 N ARG A 78 12.167 5.518 -1.923 1.00 0.00 N ATOM 980 CA ARG A 78 13.196 4.732 -2.662 1.00 0.00 C ATOM 981 C ARG A 78 13.669 5.521 -3.887 1.00 0.00 C ATOM 982 O ARG A 78 13.367 6.688 -4.044 1.00 0.00 O ATOM 983 CB ARG A 78 12.589 3.404 -3.115 1.00 0.00 C ATOM 984 CG ARG A 78 12.296 2.534 -1.891 1.00 0.00 C ATOM 985 CD ARG A 78 13.058 1.213 -2.011 1.00 0.00 C ATOM 986 NE ARG A 78 12.142 0.158 -2.531 1.00 0.00 N ATOM 987 CZ ARG A 78 11.185 -0.310 -1.776 1.00 0.00 C ATOM 988 NH1 ARG A 78 11.027 0.141 -0.561 1.00 0.00 N ATOM 989 NH2 ARG A 78 10.386 -1.231 -2.239 1.00 0.00 N ATOM 0 H ARG A 78 12.277 5.533 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 78 14.046 4.542 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.671 3.583 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.276 2.888 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.592 3.056 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.226 2.343 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.910 1.332 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.454 0.919 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 78 12.263 -0.199 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.652 0.861 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.278 -0.227 0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.510 -1.583 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.637 -1.599 -1.652 1.00 0.00 H new ATOM 1003 N ARG A 79 14.414 4.892 -4.754 1.00 0.00 N ATOM 1004 CA ARG A 79 14.908 5.601 -5.967 1.00 0.00 C ATOM 1005 C ARG A 79 14.226 5.021 -7.208 1.00 0.00 C ATOM 1006 O ARG A 79 14.892 4.322 -7.955 1.00 0.00 O ATOM 1007 CB ARG A 79 16.422 5.416 -6.086 1.00 0.00 C ATOM 1008 CG ARG A 79 17.134 6.535 -5.321 1.00 0.00 C ATOM 1009 CD ARG A 79 18.259 7.108 -6.183 1.00 0.00 C ATOM 1010 NE ARG A 79 19.549 7.006 -5.444 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.811 7.830 -4.464 1.00 0.00 C ATOM 1012 NH1 ARG A 79 18.942 8.745 -4.123 1.00 0.00 N ATOM 1013 NH2 ARG A 79 20.943 7.735 -3.820 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.048 5.283 -7.390 1.00 0.00 O ATOM 0 H ARG A 79 14.702 3.917 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 79 14.677 6.663 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 79 16.713 4.445 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 79 16.720 5.431 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.425 7.321 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.539 6.149 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 79 18.323 6.564 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 79 18.049 8.149 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 79 20.229 6.291 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.056 8.818 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.150 9.386 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 79 21.620 7.019 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 79 21.150 8.377 -3.055 1.00 0.00 H new