USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 114:sc= 0.346 USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0.32 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -0.349 K(o=-0.35,f=-2.2) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -133:sc= -0.645 (180deg=-2.33!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.699 K(o=-0.7,f=-2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.6!) USER MOD Single : A 25 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.386 K(o=0.39,f=-5!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.545 K(o=-0.54,f=-4.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.599 K(o=-0.6,f=-5.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.224 (180deg=-1.07) USER MOD Single : A 52 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00918 (180deg=-0.212) USER MOD Single : A 63 ASN : amide:sc= -1.55 K(o=-1.6,f=-6.3!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 0.646 -0.228 2.853 1.00 0.00 N ATOM 32 CA ILE A 3 1.520 0.753 2.218 1.00 0.00 C ATOM 33 C ILE A 3 2.976 0.308 2.305 1.00 0.00 C ATOM 34 O ILE A 3 3.410 -0.231 3.323 1.00 0.00 O ATOM 35 CB ILE A 3 1.357 2.113 2.899 1.00 0.00 C ATOM 36 CG1 ILE A 3 2.012 3.197 2.038 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.030 2.080 4.272 1.00 0.00 C ATOM 38 CD1 ILE A 3 1.062 3.595 0.907 1.00 0.00 C ATOM 0 HA ILE A 3 1.241 0.837 1.168 1.00 0.00 H new ATOM 0 HB ILE A 3 0.296 2.334 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.251 4.067 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.952 2.830 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.914 3.049 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.566 1.308 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.091 1.859 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.529 4.367 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.846 2.723 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.134 3.979 1.330 1.00 0.00 H new ATOM 50 N GLU A 4 3.726 0.537 1.232 1.00 0.00 N ATOM 51 CA GLU A 4 5.133 0.154 1.199 1.00 0.00 C ATOM 52 C GLU A 4 5.896 0.817 2.341 1.00 0.00 C ATOM 53 O GLU A 4 5.373 1.702 3.018 1.00 0.00 O ATOM 54 CB GLU A 4 5.755 0.561 -0.139 1.00 0.00 C ATOM 55 CG GLU A 4 5.738 2.085 -0.269 1.00 0.00 C ATOM 56 CD GLU A 4 6.299 2.498 -1.626 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.673 1.617 -2.383 1.00 0.00 O ATOM 58 OE2 GLU A 4 6.346 3.688 -1.888 1.00 0.00 O ATOM 0 H GLU A 4 3.386 0.983 0.380 1.00 0.00 H new ATOM 0 HA GLU A 4 5.198 -0.928 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.778 0.192 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.201 0.109 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.719 2.456 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.329 2.533 0.530 1.00 0.00 H new ATOM 65 N SER A 5 7.134 0.382 2.550 1.00 0.00 N ATOM 66 CA SER A 5 7.960 0.939 3.614 1.00 0.00 C ATOM 67 C SER A 5 8.231 2.419 3.366 1.00 0.00 C ATOM 68 O SER A 5 8.424 2.843 2.226 1.00 0.00 O ATOM 69 CB SER A 5 9.286 0.183 3.695 1.00 0.00 C ATOM 70 OG SER A 5 9.032 -1.176 4.026 1.00 0.00 O ATOM 0 H SER A 5 7.585 -0.350 2.001 1.00 0.00 H new ATOM 0 HA SER A 5 7.423 0.834 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.812 0.245 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.932 0.638 4.446 1.00 0.00 H new ATOM 0 HG SER A 5 9.880 -1.664 4.077 1.00 0.00 H new ATOM 76 N HIS A 6 8.246 3.201 4.441 1.00 0.00 N ATOM 77 CA HIS A 6 8.496 4.633 4.331 1.00 0.00 C ATOM 78 C HIS A 6 9.909 4.966 4.799 1.00 0.00 C ATOM 79 O HIS A 6 10.167 6.063 5.294 1.00 0.00 O ATOM 80 CB HIS A 6 7.481 5.406 5.175 1.00 0.00 C ATOM 81 CG HIS A 6 7.588 4.971 6.610 1.00 0.00 C ATOM 82 ND1 HIS A 6 8.539 5.496 7.473 1.00 0.00 N ATOM 83 CD2 HIS A 6 6.873 4.062 7.349 1.00 0.00 C ATOM 84 CE1 HIS A 6 8.371 4.903 8.669 1.00 0.00 C ATOM 85 NE2 HIS A 6 7.369 4.020 8.649 1.00 0.00 N ATOM 0 H HIS A 6 8.089 2.869 5.393 1.00 0.00 H new ATOM 0 HA HIS A 6 8.394 4.923 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.665 6.477 5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.472 5.227 4.804 1.00 0.00 H new ATOM 0 HD1 HIS A 6 9.238 6.202 7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 6 6.050 3.469 6.978 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.973 5.115 9.540 1.00 0.00 H new ATOM 94 N GLN A 7 10.819 4.011 4.640 1.00 0.00 N ATOM 95 CA GLN A 7 12.203 4.212 5.052 1.00 0.00 C ATOM 96 C GLN A 7 12.807 5.416 4.336 1.00 0.00 C ATOM 97 O GLN A 7 12.616 5.596 3.134 1.00 0.00 O ATOM 98 CB GLN A 7 13.027 2.961 4.738 1.00 0.00 C ATOM 99 CG GLN A 7 14.391 3.061 5.425 1.00 0.00 C ATOM 100 CD GLN A 7 15.213 1.810 5.135 1.00 0.00 C ATOM 101 OE1 GLN A 7 15.561 1.548 3.984 1.00 0.00 O ATOM 102 NE2 GLN A 7 15.545 1.017 6.117 1.00 0.00 N ATOM 0 H GLN A 7 10.625 3.097 4.232 1.00 0.00 H new ATOM 0 HA GLN A 7 12.220 4.398 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.500 2.070 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.157 2.860 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.922 3.945 5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.258 3.178 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.255 1.237 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.094 0.178 5.931 1.00 0.00 H new ATOM 111 N VAL A 8 13.536 6.238 5.084 1.00 0.00 N ATOM 112 CA VAL A 8 14.164 7.423 4.511 1.00 0.00 C ATOM 113 C VAL A 8 15.609 7.546 4.984 1.00 0.00 C ATOM 114 O VAL A 8 15.943 7.148 6.100 1.00 0.00 O ATOM 115 CB VAL A 8 13.384 8.674 4.918 1.00 0.00 C ATOM 116 CG1 VAL A 8 13.412 8.822 6.441 1.00 0.00 C ATOM 117 CG2 VAL A 8 14.026 9.906 4.276 1.00 0.00 C ATOM 0 H VAL A 8 13.706 6.107 6.081 1.00 0.00 H new ATOM 0 HA VAL A 8 14.157 7.327 3.425 1.00 0.00 H new ATOM 0 HB VAL A 8 12.351 8.583 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.856 9.714 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.956 7.945 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.444 8.913 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.471 10.798 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.059 9.996 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.007 9.803 3.191 1.00 0.00 H new ATOM 127 N GLU A 9 16.461 8.100 4.128 1.00 0.00 N ATOM 128 CA GLU A 9 17.869 8.270 4.469 1.00 0.00 C ATOM 129 C GLU A 9 18.321 9.699 4.188 1.00 0.00 C ATOM 130 O GLU A 9 17.576 10.495 3.618 1.00 0.00 O ATOM 131 CB GLU A 9 18.731 7.291 3.665 1.00 0.00 C ATOM 132 CG GLU A 9 18.096 7.041 2.294 1.00 0.00 C ATOM 133 CD GLU A 9 17.840 8.366 1.584 1.00 0.00 C ATOM 134 OE1 GLU A 9 18.753 9.173 1.531 1.00 0.00 O ATOM 135 OE2 GLU A 9 16.734 8.555 1.105 1.00 0.00 O ATOM 0 H GLU A 9 16.204 8.437 3.200 1.00 0.00 H new ATOM 0 HA GLU A 9 17.989 8.065 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.736 7.695 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.830 6.350 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.753 6.417 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.159 6.496 2.413 1.00 0.00 H new ATOM 142 N LYS A 10 19.546 10.017 4.594 1.00 0.00 N ATOM 143 CA LYS A 10 20.088 11.354 4.381 1.00 0.00 C ATOM 144 C LYS A 10 21.550 11.279 3.953 1.00 0.00 C ATOM 145 O LYS A 10 22.200 10.246 4.112 1.00 0.00 O ATOM 146 CB LYS A 10 19.973 12.175 5.667 1.00 0.00 C ATOM 147 CG LYS A 10 20.461 11.339 6.852 1.00 0.00 C ATOM 148 CD LYS A 10 19.258 10.850 7.661 1.00 0.00 C ATOM 149 CE LYS A 10 19.553 9.458 8.224 1.00 0.00 C ATOM 150 NZ LYS A 10 18.431 9.031 9.107 1.00 0.00 N ATOM 0 H LYS A 10 20.178 9.372 5.069 1.00 0.00 H new ATOM 0 HA LYS A 10 19.514 11.836 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.565 13.087 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.939 12.480 5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 10 21.043 10.489 6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 10 21.120 11.934 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.046 11.545 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.370 10.818 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.681 8.744 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.487 9.472 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.631 8.085 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.329 9.707 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.548 9.002 8.558 1.00 0.00 H new ATOM 164 N ARG A 11 22.060 12.379 3.411 1.00 0.00 N ATOM 165 CA ARG A 11 23.446 12.427 2.964 1.00 0.00 C ATOM 166 C ARG A 11 24.097 13.744 3.378 1.00 0.00 C ATOM 167 O ARG A 11 24.501 14.544 2.536 1.00 0.00 O ATOM 168 CB ARG A 11 23.553 12.245 1.434 1.00 0.00 C ATOM 169 CG ARG A 11 22.318 12.803 0.696 1.00 0.00 C ATOM 170 CD ARG A 11 22.382 14.332 0.642 1.00 0.00 C ATOM 171 NE ARG A 11 21.820 14.912 1.858 1.00 0.00 N ATOM 172 CZ ARG A 11 20.502 15.034 2.035 1.00 0.00 C ATOM 173 NH1 ARG A 11 19.661 14.629 1.117 1.00 0.00 N ATOM 174 NH2 ARG A 11 20.047 15.564 3.137 1.00 0.00 N ATOM 0 H ARG A 11 21.538 13.244 3.271 1.00 0.00 H new ATOM 0 HA ARG A 11 23.974 11.602 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.450 12.748 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.666 11.186 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.275 12.397 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 11 21.407 12.487 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.416 14.654 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.833 14.694 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 11 22.451 15.233 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.010 14.214 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.657 14.728 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.697 15.882 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.042 15.660 3.279 1.00 0.00 H new ATOM 188 N LYS A 12 24.199 13.960 4.685 1.00 0.00 N ATOM 189 CA LYS A 12 24.804 15.181 5.202 1.00 0.00 C ATOM 190 C LYS A 12 26.254 15.297 4.744 1.00 0.00 C ATOM 191 O LYS A 12 26.921 14.291 4.504 1.00 0.00 O ATOM 192 CB LYS A 12 24.744 15.187 6.731 1.00 0.00 C ATOM 193 CG LYS A 12 25.628 14.066 7.283 1.00 0.00 C ATOM 194 CD LYS A 12 25.436 13.965 8.798 1.00 0.00 C ATOM 195 CE LYS A 12 26.309 12.836 9.350 1.00 0.00 C ATOM 196 NZ LYS A 12 27.743 13.244 9.308 1.00 0.00 N ATOM 0 H LYS A 12 23.873 13.311 5.401 1.00 0.00 H new ATOM 0 HA LYS A 12 24.246 16.033 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 25.079 16.151 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 12 23.715 15.051 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 12 25.371 13.119 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 12 26.674 14.265 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 12 25.702 14.910 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 24.388 13.775 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 12 26.016 12.604 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 26.161 11.929 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 28.311 12.473 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 27.844 14.096 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 28.074 13.448 10.273 1.00 0.00 H new ATOM 210 N CYS A 13 26.732 16.531 4.621 1.00 0.00 N ATOM 211 CA CYS A 13 28.104 16.774 4.186 1.00 0.00 C ATOM 212 C CYS A 13 29.101 16.159 5.164 1.00 0.00 C ATOM 213 O CYS A 13 29.536 16.811 6.113 1.00 0.00 O ATOM 214 CB CYS A 13 28.357 18.278 4.081 1.00 0.00 C ATOM 215 SG CYS A 13 28.318 18.777 2.342 1.00 0.00 S ATOM 0 H CYS A 13 26.193 17.375 4.815 1.00 0.00 H new ATOM 0 HA CYS A 13 28.240 16.309 3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 13 27.601 18.825 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 13 29.323 18.526 4.520 1.00 0.00 H new ATOM 0 HG CYS A 13 28.531 20.056 2.253 1.00 0.00 H new ATOM 220 N ASN A 14 29.459 14.901 4.926 1.00 0.00 N ATOM 221 CA ASN A 14 30.408 14.209 5.793 1.00 0.00 C ATOM 222 C ASN A 14 31.558 13.629 4.975 1.00 0.00 C ATOM 223 O ASN A 14 32.133 12.603 5.340 1.00 0.00 O ATOM 224 CB ASN A 14 29.701 13.083 6.552 1.00 0.00 C ATOM 225 CG ASN A 14 30.511 12.701 7.787 1.00 0.00 C ATOM 226 OD1 ASN A 14 31.114 13.563 8.426 1.00 0.00 O ATOM 227 ND2 ASN A 14 30.562 11.452 8.162 1.00 0.00 N ATOM 0 H ASN A 14 29.110 14.343 4.147 1.00 0.00 H new ATOM 0 HA ASN A 14 30.810 14.929 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 14 28.702 13.403 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 14 29.580 12.216 5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 14 31.102 11.189 8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 14 30.062 10.739 7.631 1.00 0.00 H new ATOM 234 N THR A 15 31.888 14.289 3.869 1.00 0.00 N ATOM 235 CA THR A 15 32.973 13.823 3.012 1.00 0.00 C ATOM 236 C THR A 15 33.892 14.981 2.631 1.00 0.00 C ATOM 237 O THR A 15 33.493 16.144 2.674 1.00 0.00 O ATOM 238 CB THR A 15 32.400 13.178 1.746 1.00 0.00 C ATOM 239 OG1 THR A 15 33.440 12.508 1.047 1.00 0.00 O ATOM 240 CG2 THR A 15 31.792 14.255 0.847 1.00 0.00 C ATOM 0 H THR A 15 31.425 15.139 3.547 1.00 0.00 H new ATOM 0 HA THR A 15 33.554 13.083 3.562 1.00 0.00 H new ATOM 0 HB THR A 15 31.625 12.463 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.076 12.093 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 15 31.386 13.792 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.994 14.768 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.562 14.974 0.568 1.00 0.00 H new ATOM 306 N GLN A 21 33.456 22.241 -1.776 1.00 0.00 N ATOM 307 CA GLN A 21 32.234 22.988 -2.051 1.00 0.00 C ATOM 308 C GLN A 21 32.148 24.229 -1.164 1.00 0.00 C ATOM 309 O GLN A 21 31.536 25.228 -1.543 1.00 0.00 O ATOM 310 CB GLN A 21 31.009 22.087 -1.829 1.00 0.00 C ATOM 311 CG GLN A 21 30.243 22.517 -0.571 1.00 0.00 C ATOM 312 CD GLN A 21 29.149 21.502 -0.260 1.00 0.00 C ATOM 313 OE1 GLN A 21 29.253 20.338 -0.648 1.00 0.00 O ATOM 314 NE2 GLN A 21 28.100 21.874 0.420 1.00 0.00 N ATOM 0 HA GLN A 21 32.252 23.314 -3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.351 22.138 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.327 21.049 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 21 30.928 22.597 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 21 29.804 23.504 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.016 22.839 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.364 21.200 0.631 1.00 0.00 H new ATOM 323 N ARG A 22 32.761 24.163 0.016 1.00 0.00 N ATOM 324 CA ARG A 22 32.734 25.298 0.934 1.00 0.00 C ATOM 325 C ARG A 22 33.630 26.421 0.418 1.00 0.00 C ATOM 326 O ARG A 22 33.421 27.592 0.738 1.00 0.00 O ATOM 327 CB ARG A 22 33.153 24.853 2.350 1.00 0.00 C ATOM 328 CG ARG A 22 34.654 25.077 2.599 1.00 0.00 C ATOM 329 CD ARG A 22 34.878 26.475 3.182 1.00 0.00 C ATOM 330 NE ARG A 22 35.366 26.378 4.554 1.00 0.00 N ATOM 331 CZ ARG A 22 36.630 26.050 4.829 1.00 0.00 C ATOM 332 NH1 ARG A 22 37.482 25.801 3.866 1.00 0.00 N ATOM 333 NH2 ARG A 22 37.022 25.977 6.071 1.00 0.00 N ATOM 0 H ARG A 22 33.275 23.349 0.355 1.00 0.00 H new ATOM 0 HA ARG A 22 31.715 25.682 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 22 32.575 25.406 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 32.916 23.798 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 22 35.035 24.321 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 22 35.207 24.969 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.597 27.021 2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.946 27.040 3.159 1.00 0.00 H new ATOM 0 HE ARG A 22 34.724 26.566 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 22 37.182 25.857 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 22 38.445 25.551 4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 22 36.364 26.170 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 22 37.987 25.727 6.287 1.00 0.00 H new ATOM 347 N LEU A 23 34.624 26.057 -0.389 1.00 0.00 N ATOM 348 CA LEU A 23 35.539 27.043 -0.952 1.00 0.00 C ATOM 349 C LEU A 23 34.795 27.951 -1.926 1.00 0.00 C ATOM 350 O LEU A 23 35.030 29.158 -1.972 1.00 0.00 O ATOM 351 CB LEU A 23 36.688 26.335 -1.677 1.00 0.00 C ATOM 352 CG LEU A 23 37.667 27.370 -2.242 1.00 0.00 C ATOM 353 CD1 LEU A 23 38.334 28.130 -1.093 1.00 0.00 C ATOM 354 CD2 LEU A 23 38.739 26.653 -3.066 1.00 0.00 C ATOM 0 H LEU A 23 34.814 25.094 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 23 35.946 27.649 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 37.208 25.668 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 36.294 25.716 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 23 37.126 28.074 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 39.029 28.865 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 37.572 28.638 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 23 38.876 27.428 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 39.438 27.385 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 39.277 25.950 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 38.266 26.112 -3.886 1.00 0.00 H new ATOM 366 N ALA A 24 33.889 27.357 -2.696 1.00 0.00 N ATOM 367 CA ALA A 24 33.104 28.115 -3.663 1.00 0.00 C ATOM 368 C ALA A 24 32.227 29.136 -2.946 1.00 0.00 C ATOM 369 O ALA A 24 31.989 30.232 -3.453 1.00 0.00 O ATOM 370 CB ALA A 24 32.226 27.167 -4.481 1.00 0.00 C ATOM 0 H ALA A 24 33.681 26.359 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 24 33.786 28.640 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 31.643 27.741 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 24 32.857 26.454 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 24 31.552 26.629 -3.814 1.00 0.00 H new ATOM 376 N ASN A 25 31.753 28.766 -1.761 1.00 0.00 N ATOM 377 CA ASN A 25 30.906 29.652 -0.973 1.00 0.00 C ATOM 378 C ASN A 25 31.680 30.895 -0.546 1.00 0.00 C ATOM 379 O ASN A 25 31.111 31.978 -0.409 1.00 0.00 O ATOM 380 CB ASN A 25 30.400 28.915 0.269 1.00 0.00 C ATOM 381 CG ASN A 25 29.367 27.867 -0.129 1.00 0.00 C ATOM 382 OD1 ASN A 25 28.766 27.962 -1.199 1.00 0.00 O ATOM 383 ND2 ASN A 25 29.124 26.866 0.672 1.00 0.00 N ATOM 0 H ASN A 25 31.940 27.862 -1.327 1.00 0.00 H new ATOM 0 HA ASN A 25 30.060 29.959 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.234 28.438 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 25 29.958 29.625 0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.435 26.160 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.623 26.789 1.558 1.00 0.00 H new ATOM 390 N PHE A 26 32.980 30.729 -0.330 1.00 0.00 N ATOM 391 CA PHE A 26 33.826 31.841 0.090 1.00 0.00 C ATOM 392 C PHE A 26 33.873 32.930 -0.980 1.00 0.00 C ATOM 393 O PHE A 26 33.862 34.120 -0.665 1.00 0.00 O ATOM 394 CB PHE A 26 35.244 31.341 0.375 1.00 0.00 C ATOM 395 CG PHE A 26 36.092 32.488 0.868 1.00 0.00 C ATOM 396 CD1 PHE A 26 35.989 32.914 2.198 1.00 0.00 C ATOM 397 CD2 PHE A 26 36.982 33.126 -0.004 1.00 0.00 C ATOM 398 CE1 PHE A 26 36.775 33.978 2.655 1.00 0.00 C ATOM 399 CE2 PHE A 26 37.769 34.190 0.453 1.00 0.00 C ATOM 400 CZ PHE A 26 37.665 34.616 1.783 1.00 0.00 C ATOM 0 H PHE A 26 33.469 29.841 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 26 33.399 32.267 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.218 30.547 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.679 30.915 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 26 35.303 32.421 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 26 37.062 32.797 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 26 36.695 34.307 3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.456 34.682 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 26 38.272 35.437 2.136 1.00 0.00 H new ATOM 410 N LEU A 27 33.934 32.519 -2.244 1.00 0.00 N ATOM 411 CA LEU A 27 33.992 33.477 -3.344 1.00 0.00 C ATOM 412 C LEU A 27 32.750 34.366 -3.332 1.00 0.00 C ATOM 413 O LEU A 27 32.850 35.589 -3.423 1.00 0.00 O ATOM 414 CB LEU A 27 34.106 32.711 -4.679 1.00 0.00 C ATOM 415 CG LEU A 27 34.191 33.653 -5.904 1.00 0.00 C ATOM 416 CD1 LEU A 27 32.784 34.081 -6.354 1.00 0.00 C ATOM 417 CD2 LEU A 27 35.041 34.895 -5.591 1.00 0.00 C ATOM 0 H LEU A 27 33.944 31.540 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 27 34.866 34.117 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 34.991 32.075 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 27 33.244 32.054 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 27 34.671 33.103 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 32.863 34.743 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 32.205 33.199 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 32.285 34.605 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 35.083 35.538 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 27 34.593 35.443 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 27 36.050 34.586 -5.319 1.00 0.00 H new ATOM 429 N VAL A 28 31.580 33.748 -3.205 1.00 0.00 N ATOM 430 CA VAL A 28 30.331 34.502 -3.169 1.00 0.00 C ATOM 431 C VAL A 28 30.167 35.203 -1.823 1.00 0.00 C ATOM 432 O VAL A 28 29.514 36.242 -1.731 1.00 0.00 O ATOM 433 CB VAL A 28 29.141 33.571 -3.417 1.00 0.00 C ATOM 434 CG1 VAL A 28 29.282 32.917 -4.793 1.00 0.00 C ATOM 435 CG2 VAL A 28 29.102 32.485 -2.339 1.00 0.00 C ATOM 0 H VAL A 28 31.470 32.737 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 28 30.364 35.255 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 28 28.218 34.150 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 28.435 32.254 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 28 29.305 33.689 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 28 30.207 32.341 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 28 28.254 31.824 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 28 30.026 31.907 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 28 28.999 32.949 -1.358 1.00 0.00 H new ATOM 445 N HIS A 29 30.762 34.629 -0.783 1.00 0.00 N ATOM 446 CA HIS A 29 30.671 35.209 0.552 1.00 0.00 C ATOM 447 C HIS A 29 31.487 36.497 0.640 1.00 0.00 C ATOM 448 O HIS A 29 31.135 37.414 1.382 1.00 0.00 O ATOM 449 CB HIS A 29 31.179 34.209 1.593 1.00 0.00 C ATOM 450 CG HIS A 29 31.027 34.797 2.969 1.00 0.00 C ATOM 451 ND1 HIS A 29 29.790 34.940 3.579 1.00 0.00 N ATOM 452 CD2 HIS A 29 31.946 35.283 3.865 1.00 0.00 C ATOM 453 CE1 HIS A 29 29.996 35.491 4.789 1.00 0.00 C ATOM 454 NE2 HIS A 29 31.293 35.721 5.014 1.00 0.00 N ATOM 0 H HIS A 29 31.308 33.769 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 29 29.625 35.443 0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 29 30.619 33.276 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 29 32.225 33.969 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 29 33.013 35.320 3.703 1.00 0.00 H new ATOM 0 HE1 HIS A 29 29.209 35.720 5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 29 31.714 36.130 5.848 1.00 0.00 H new ATOM 463 N SER A 30 32.575 36.555 -0.124 1.00 0.00 N ATOM 464 CA SER A 30 33.430 37.740 -0.125 1.00 0.00 C ATOM 465 C SER A 30 33.492 38.377 -1.514 1.00 0.00 C ATOM 466 O SER A 30 34.407 39.144 -1.811 1.00 0.00 O ATOM 467 CB SER A 30 34.840 37.376 0.341 1.00 0.00 C ATOM 468 OG SER A 30 34.812 37.077 1.731 1.00 0.00 O ATOM 0 H SER A 30 32.883 35.806 -0.743 1.00 0.00 H new ATOM 0 HA SER A 30 32.998 38.464 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 30 35.211 36.518 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 30 35.524 38.203 0.149 1.00 0.00 H new ATOM 0 HG SER A 30 35.714 36.841 2.033 1.00 0.00 H new ATOM 474 N SER A 31 32.521 38.050 -2.362 1.00 0.00 N ATOM 475 CA SER A 31 32.488 38.594 -3.716 1.00 0.00 C ATOM 476 C SER A 31 32.401 40.117 -3.694 1.00 0.00 C ATOM 477 O SER A 31 33.073 40.796 -4.471 1.00 0.00 O ATOM 478 CB SER A 31 31.289 38.029 -4.478 1.00 0.00 C ATOM 479 OG SER A 31 31.247 38.604 -5.778 1.00 0.00 O ATOM 0 H SER A 31 31.753 37.417 -2.139 1.00 0.00 H new ATOM 0 HA SER A 31 33.412 38.305 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 31.367 36.944 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.366 38.247 -3.941 1.00 0.00 H new ATOM 0 HG SER A 31 30.480 38.243 -6.271 1.00 0.00 H new ATOM 485 N ASN A 32 31.566 40.650 -2.809 1.00 0.00 N ATOM 486 CA ASN A 32 31.398 42.096 -2.707 1.00 0.00 C ATOM 487 C ASN A 32 32.668 42.758 -2.182 1.00 0.00 C ATOM 488 O ASN A 32 33.064 43.826 -2.651 1.00 0.00 O ATOM 489 CB ASN A 32 30.232 42.419 -1.772 1.00 0.00 C ATOM 490 CG ASN A 32 30.403 41.679 -0.449 1.00 0.00 C ATOM 491 OD1 ASN A 32 30.424 40.448 -0.423 1.00 0.00 O ATOM 492 ND2 ASN A 32 30.525 42.359 0.658 1.00 0.00 N ATOM 0 H ASN A 32 30.999 40.108 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 32 31.190 42.485 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 32 30.185 43.493 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 32 29.290 42.132 -2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 32 30.638 41.871 1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 32 30.507 43.379 0.635 1.00 0.00 H new ATOM 499 N ASN A 33 33.301 42.117 -1.207 1.00 0.00 N ATOM 500 CA ASN A 33 34.524 42.661 -0.630 1.00 0.00 C ATOM 501 C ASN A 33 35.667 42.563 -1.632 1.00 0.00 C ATOM 502 O ASN A 33 36.564 43.406 -1.654 1.00 0.00 O ATOM 503 CB ASN A 33 34.889 41.905 0.650 1.00 0.00 C ATOM 504 CG ASN A 33 33.913 42.266 1.765 1.00 0.00 C ATOM 505 OD1 ASN A 33 33.099 41.437 2.172 1.00 0.00 O ATOM 506 ND2 ASN A 33 33.946 43.462 2.286 1.00 0.00 N ATOM 0 H ASN A 33 32.993 41.232 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 33 34.355 43.710 -0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 33 34.864 40.831 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 33 35.907 42.154 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 33 33.297 43.711 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 33 34.621 44.147 1.947 1.00 0.00 H new ATOM 513 N PHE A 34 35.624 41.521 -2.456 1.00 0.00 N ATOM 514 CA PHE A 34 36.659 41.304 -3.461 1.00 0.00 C ATOM 515 C PHE A 34 36.923 42.589 -4.238 1.00 0.00 C ATOM 516 O PHE A 34 38.073 42.966 -4.462 1.00 0.00 O ATOM 517 CB PHE A 34 36.226 40.198 -4.426 1.00 0.00 C ATOM 518 CG PHE A 34 37.322 39.951 -5.435 1.00 0.00 C ATOM 519 CD1 PHE A 34 38.473 39.249 -5.058 1.00 0.00 C ATOM 520 CD2 PHE A 34 37.188 40.423 -6.746 1.00 0.00 C ATOM 521 CE1 PHE A 34 39.490 39.019 -5.992 1.00 0.00 C ATOM 522 CE2 PHE A 34 38.205 40.192 -7.680 1.00 0.00 C ATOM 523 CZ PHE A 34 39.356 39.490 -7.303 1.00 0.00 C ATOM 0 H PHE A 34 34.887 40.816 -2.448 1.00 0.00 H new ATOM 0 HA PHE A 34 37.577 41.003 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 34 36.012 39.283 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 34 35.306 40.485 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 34 38.576 38.885 -4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 34 36.300 40.965 -7.037 1.00 0.00 H new ATOM 0 HE1 PHE A 34 40.378 38.478 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 34 38.102 40.556 -8.692 1.00 0.00 H new ATOM 0 HZ PHE A 34 40.140 39.312 -8.024 1.00 0.00 H new ATOM 533 N GLY A 35 35.849 43.263 -4.636 1.00 0.00 N ATOM 534 CA GLY A 35 35.973 44.512 -5.376 1.00 0.00 C ATOM 535 C GLY A 35 36.631 45.588 -4.518 1.00 0.00 C ATOM 536 O GLY A 35 37.537 46.287 -4.972 1.00 0.00 O ATOM 0 H GLY A 35 34.889 42.967 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.563 44.348 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 35 34.987 44.849 -5.697 1.00 0.00 H new ATOM 540 N ALA A 36 36.165 45.724 -3.281 1.00 0.00 N ATOM 541 CA ALA A 36 36.716 46.730 -2.380 1.00 0.00 C ATOM 542 C ALA A 36 38.209 46.500 -2.159 1.00 0.00 C ATOM 543 O ALA A 36 38.974 47.452 -2.003 1.00 0.00 O ATOM 544 CB ALA A 36 35.984 46.695 -1.038 1.00 0.00 C ATOM 0 H ALA A 36 35.416 45.158 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 36 36.578 47.709 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 36 36.405 47.450 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 34.925 46.900 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 36.100 45.710 -0.586 1.00 0.00 H new ATOM 550 N ILE A 37 38.619 45.236 -2.151 1.00 0.00 N ATOM 551 CA ILE A 37 40.027 44.907 -1.951 1.00 0.00 C ATOM 552 C ILE A 37 40.878 45.546 -3.044 1.00 0.00 C ATOM 553 O ILE A 37 41.974 46.042 -2.784 1.00 0.00 O ATOM 554 CB ILE A 37 40.226 43.390 -1.968 1.00 0.00 C ATOM 555 CG1 ILE A 37 39.665 42.789 -0.673 1.00 0.00 C ATOM 556 CG2 ILE A 37 41.720 43.075 -2.074 1.00 0.00 C ATOM 557 CD1 ILE A 37 39.641 41.261 -0.776 1.00 0.00 C ATOM 0 H ILE A 37 38.006 44.431 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 37 40.337 45.296 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 37 39.703 42.962 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 37 40.277 43.096 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 37 38.658 43.166 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 37 41.864 41.995 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 37 42.118 43.505 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 37 42.243 43.501 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 37 39.242 40.840 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 37 39.010 40.963 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 37 40.654 40.891 -0.935 1.00 0.00 H new ATOM 569 N LEU A 38 40.359 45.527 -4.268 1.00 0.00 N ATOM 570 CA LEU A 38 41.070 46.103 -5.403 1.00 0.00 C ATOM 571 C LEU A 38 41.383 47.573 -5.146 1.00 0.00 C ATOM 572 O LEU A 38 42.439 48.069 -5.541 1.00 0.00 O ATOM 573 CB LEU A 38 40.220 45.969 -6.671 1.00 0.00 C ATOM 574 CG LEU A 38 40.971 46.554 -7.872 1.00 0.00 C ATOM 575 CD1 LEU A 38 42.237 45.736 -8.139 1.00 0.00 C ATOM 576 CD2 LEU A 38 40.067 46.504 -9.106 1.00 0.00 C ATOM 0 H LEU A 38 39.452 45.121 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 38 42.008 45.564 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 39.988 44.920 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 38 39.270 46.487 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 38 41.247 47.586 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 42.768 46.155 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.882 45.767 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 38 41.964 44.703 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 38 40.598 46.919 -9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.794 45.470 -9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.165 47.087 -8.920 1.00 0.00 H new ATOM 588 N SER A 39 40.465 48.265 -4.481 1.00 0.00 N ATOM 589 CA SER A 39 40.663 49.678 -4.177 1.00 0.00 C ATOM 590 C SER A 39 41.898 49.866 -3.303 1.00 0.00 C ATOM 591 O SER A 39 42.690 50.783 -3.520 1.00 0.00 O ATOM 592 CB SER A 39 39.435 50.235 -3.456 1.00 0.00 C ATOM 593 OG SER A 39 39.648 51.609 -3.161 1.00 0.00 O ATOM 0 H SER A 39 39.584 47.876 -4.145 1.00 0.00 H new ATOM 0 HA SER A 39 40.807 50.217 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.549 50.118 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.254 49.677 -2.537 1.00 0.00 H new ATOM 0 HG SER A 39 38.862 51.970 -2.700 1.00 0.00 H new ATOM 599 N SER A 40 42.057 48.991 -2.315 1.00 0.00 N ATOM 600 CA SER A 40 43.202 49.068 -1.414 1.00 0.00 C ATOM 601 C SER A 40 44.323 48.149 -1.891 1.00 0.00 C ATOM 602 O SER A 40 45.157 47.709 -1.098 1.00 0.00 O ATOM 603 CB SER A 40 42.780 48.671 0.000 1.00 0.00 C ATOM 604 OG SER A 40 41.813 49.596 0.479 1.00 0.00 O ATOM 0 H SER A 40 41.412 48.225 -2.118 1.00 0.00 H new ATOM 0 HA SER A 40 43.568 50.095 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 40 42.366 47.663 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 40 43.647 48.659 0.661 1.00 0.00 H new ATOM 0 HG SER A 40 41.539 49.343 1.385 1.00 0.00 H new ATOM 610 N THR A 41 44.336 47.861 -3.189 1.00 0.00 N ATOM 611 CA THR A 41 45.358 46.991 -3.760 1.00 0.00 C ATOM 612 C THR A 41 46.741 47.631 -3.654 1.00 0.00 C ATOM 613 O THR A 41 47.758 46.941 -3.718 1.00 0.00 O ATOM 614 CB THR A 41 45.038 46.705 -5.229 1.00 0.00 C ATOM 615 OG1 THR A 41 45.897 45.680 -5.708 1.00 0.00 O ATOM 616 CG2 THR A 41 45.245 47.975 -6.055 1.00 0.00 C ATOM 0 H THR A 41 43.655 48.215 -3.861 1.00 0.00 H new ATOM 0 HA THR A 41 45.363 46.057 -3.198 1.00 0.00 H new ATOM 0 HB THR A 41 44.001 46.382 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 41 45.369 44.879 -5.911 1.00 0.00 H new ATOM 0 HG21 THR A 41 45.017 47.770 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 41 44.585 48.760 -5.687 1.00 0.00 H new ATOM 0 HG23 THR A 41 46.281 48.301 -5.967 1.00 0.00 H new ATOM 624 N ASN A 42 46.774 48.952 -3.495 1.00 0.00 N ATOM 625 CA ASN A 42 48.042 49.666 -3.387 1.00 0.00 C ATOM 626 C ASN A 42 48.505 49.744 -1.932 1.00 0.00 C ATOM 627 O ASN A 42 49.324 50.592 -1.580 1.00 0.00 O ATOM 628 CB ASN A 42 47.893 51.080 -3.950 1.00 0.00 C ATOM 629 CG ASN A 42 46.992 51.910 -3.042 1.00 0.00 C ATOM 630 OD1 ASN A 42 46.304 51.363 -2.180 1.00 0.00 O ATOM 631 ND2 ASN A 42 46.955 53.207 -3.184 1.00 0.00 N ATOM 0 H ASN A 42 45.945 49.544 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 42 48.789 49.118 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 42 48.872 51.552 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 42 47.472 51.038 -4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 42 46.355 53.769 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 42 47.526 53.658 -3.899 1.00 0.00 H new ATOM 638 N VAL A 43 47.978 48.857 -1.092 1.00 0.00 N ATOM 639 CA VAL A 43 48.350 48.842 0.318 1.00 0.00 C ATOM 640 C VAL A 43 49.606 47.995 0.545 1.00 0.00 C ATOM 641 O VAL A 43 49.925 47.637 1.678 1.00 0.00 O ATOM 642 CB VAL A 43 47.189 48.288 1.151 1.00 0.00 C ATOM 643 CG1 VAL A 43 47.226 46.755 1.146 1.00 0.00 C ATOM 644 CG2 VAL A 43 47.299 48.803 2.590 1.00 0.00 C ATOM 0 H VAL A 43 47.298 48.146 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 43 48.568 49.864 0.629 1.00 0.00 H new ATOM 0 HB VAL A 43 46.246 48.622 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.398 46.369 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 43 47.138 46.392 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.169 46.412 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.473 48.409 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 43 48.244 48.475 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 43 47.258 49.892 2.591 1.00 0.00 H new ATOM 654 N GLY A 44 50.320 47.682 -0.536 1.00 0.00 N ATOM 655 CA GLY A 44 51.534 46.881 -0.427 1.00 0.00 C ATOM 656 C GLY A 44 51.300 45.448 -0.902 1.00 0.00 C ATOM 657 O GLY A 44 52.252 44.712 -1.165 1.00 0.00 O ATOM 0 H GLY A 44 50.081 47.968 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.327 47.337 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 44 51.874 46.872 0.609 1.00 0.00 H new ATOM 661 N SER A 45 50.034 45.055 -1.012 1.00 0.00 N ATOM 662 CA SER A 45 49.701 43.706 -1.457 1.00 0.00 C ATOM 663 C SER A 45 49.490 43.676 -2.967 1.00 0.00 C ATOM 664 O SER A 45 48.661 42.919 -3.472 1.00 0.00 O ATOM 665 CB SER A 45 48.433 43.222 -0.753 1.00 0.00 C ATOM 666 OG SER A 45 47.328 44.008 -1.181 1.00 0.00 O ATOM 0 H SER A 45 49.229 45.645 -0.801 1.00 0.00 H new ATOM 0 HA SER A 45 50.531 43.046 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 45 48.256 42.171 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 48.552 43.299 0.328 1.00 0.00 H new ATOM 0 HG SER A 45 46.513 43.699 -0.733 1.00 0.00 H new ATOM 672 N ASN A 46 50.244 44.504 -3.683 1.00 0.00 N ATOM 673 CA ASN A 46 50.130 44.563 -5.136 1.00 0.00 C ATOM 674 C ASN A 46 51.193 43.690 -5.797 1.00 0.00 C ATOM 675 O ASN A 46 51.566 43.916 -6.948 1.00 0.00 O ATOM 676 CB ASN A 46 50.288 46.008 -5.614 1.00 0.00 C ATOM 677 CG ASN A 46 51.718 46.482 -5.378 1.00 0.00 C ATOM 678 OD1 ASN A 46 52.479 45.831 -4.662 1.00 0.00 O ATOM 679 ND2 ASN A 46 52.131 47.585 -5.940 1.00 0.00 N ATOM 0 H ASN A 46 50.936 45.139 -3.285 1.00 0.00 H new ATOM 0 HA ASN A 46 49.145 44.191 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 46 50.043 46.078 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 46 49.590 46.654 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 46 53.086 47.909 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 46 51.499 48.123 -6.533 1.00 0.00 H new ATOM 686 N THR A 47 51.677 42.692 -5.063 1.00 0.00 N ATOM 687 CA THR A 47 52.697 41.794 -5.592 1.00 0.00 C ATOM 688 C THR A 47 52.054 40.563 -6.224 1.00 0.00 C ATOM 689 O THR A 47 52.656 39.491 -6.271 1.00 0.00 O ATOM 690 CB THR A 47 53.642 41.361 -4.468 1.00 0.00 C ATOM 691 OG1 THR A 47 53.316 42.068 -3.280 1.00 0.00 O ATOM 692 CG2 THR A 47 55.086 41.667 -4.867 1.00 0.00 C ATOM 0 H THR A 47 51.382 42.486 -4.108 1.00 0.00 H new ATOM 0 HA THR A 47 53.262 42.325 -6.358 1.00 0.00 H new ATOM 0 HB THR A 47 53.535 40.290 -4.295 1.00 0.00 H new ATOM 0 HG1 THR A 47 53.919 41.791 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 47 55.758 41.358 -4.066 1.00 0.00 H new ATOM 0 HG22 THR A 47 55.334 41.124 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 47 55.196 42.737 -5.041 1.00 0.00 H new ATOM 700 N TYR A 48 50.827 40.726 -6.710 1.00 0.00 N ATOM 701 CA TYR A 48 50.113 39.619 -7.337 1.00 0.00 C ATOM 702 C TYR A 48 49.541 40.041 -8.689 1.00 0.00 C ATOM 703 O TYR A 48 48.588 39.439 -9.184 1.00 0.00 O ATOM 704 CB TYR A 48 48.978 39.149 -6.424 1.00 0.00 C ATOM 705 CG TYR A 48 47.860 40.164 -6.442 1.00 0.00 C ATOM 706 CD1 TYR A 48 46.680 39.894 -7.146 1.00 0.00 C ATOM 707 CD2 TYR A 48 48.004 41.375 -5.754 1.00 0.00 C ATOM 708 CE1 TYR A 48 45.644 40.836 -7.163 1.00 0.00 C ATOM 709 CE2 TYR A 48 46.968 42.316 -5.771 1.00 0.00 C ATOM 710 CZ TYR A 48 45.788 42.047 -6.475 1.00 0.00 C ATOM 711 OH TYR A 48 44.767 42.975 -6.492 1.00 0.00 O ATOM 0 H TYR A 48 50.311 41.605 -6.682 1.00 0.00 H new ATOM 0 HA TYR A 48 50.817 38.802 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 48 48.608 38.179 -6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.347 39.017 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 48 46.569 38.959 -7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 48 48.914 41.583 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 48 44.734 40.629 -7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 48 47.079 43.250 -5.241 1.00 0.00 H new ATOM 0 HH TYR A 48 43.907 42.513 -6.578 1.00 0.00 H new ATOM 721 N GLY A 49 50.128 41.076 -9.283 1.00 0.00 N ATOM 722 CA GLY A 49 49.664 41.563 -10.577 1.00 0.00 C ATOM 723 C GLY A 49 49.707 40.457 -11.625 1.00 0.00 C ATOM 724 O GLY A 49 50.724 39.782 -11.789 1.00 0.00 O ATOM 0 H GLY A 49 50.919 41.589 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 49 48.646 41.941 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 50.286 42.398 -10.899 1.00 0.00 H new ATOM 728 N LYS A 50 48.597 40.277 -12.333 1.00 0.00 N ATOM 729 CA LYS A 50 48.517 39.250 -13.366 1.00 0.00 C ATOM 730 C LYS A 50 49.486 39.555 -14.503 1.00 0.00 C ATOM 731 O LYS A 50 50.098 38.649 -15.069 1.00 0.00 O ATOM 732 CB LYS A 50 47.091 39.172 -13.915 1.00 0.00 C ATOM 733 CG LYS A 50 46.168 38.574 -12.851 1.00 0.00 C ATOM 734 CD LYS A 50 44.788 38.309 -13.459 1.00 0.00 C ATOM 735 CE LYS A 50 44.086 39.640 -13.739 1.00 0.00 C ATOM 736 NZ LYS A 50 43.943 40.402 -12.467 1.00 0.00 N ATOM 0 H LYS A 50 47.745 40.825 -12.212 1.00 0.00 H new ATOM 0 HA LYS A 50 48.788 38.293 -12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.743 40.166 -14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.070 38.560 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.592 37.646 -12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 50 46.079 39.257 -12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 50 44.890 37.739 -14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 44.188 37.707 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 50 44.659 40.221 -14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 50 43.106 39.461 -14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 43.173 41.094 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 43.724 39.745 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 44.832 40.900 -12.259 1.00 0.00 H new ATOM 750 N ARG A 51 49.618 40.835 -14.835 1.00 0.00 N ATOM 751 CA ARG A 51 50.513 41.247 -15.912 1.00 0.00 C ATOM 752 C ARG A 51 51.896 40.628 -15.729 1.00 0.00 C ATOM 753 O ARG A 51 52.626 40.421 -16.698 1.00 0.00 O ATOM 754 CB ARG A 51 50.631 42.773 -15.944 1.00 0.00 C ATOM 755 CG ARG A 51 51.391 43.259 -14.707 1.00 0.00 C ATOM 756 CD ARG A 51 51.387 44.788 -14.674 1.00 0.00 C ATOM 757 NE ARG A 51 52.154 45.270 -13.529 1.00 0.00 N ATOM 758 CZ ARG A 51 51.637 45.297 -12.299 1.00 0.00 C ATOM 759 NH1 ARG A 51 50.415 44.885 -12.075 1.00 0.00 N ATOM 760 NH2 ARG A 51 52.360 45.740 -11.306 1.00 0.00 N ATOM 0 H ARG A 51 49.121 41.600 -14.378 1.00 0.00 H new ATOM 0 HA ARG A 51 50.095 40.898 -16.856 1.00 0.00 H new ATOM 0 HB2 ARG A 51 51.151 43.088 -16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 51 49.639 43.223 -15.973 1.00 0.00 H new ATOM 0 HG2 ARG A 51 50.927 42.864 -13.803 1.00 0.00 H new ATOM 0 HG3 ARG A 51 52.416 42.888 -14.727 1.00 0.00 H new ATOM 0 HD2 ARG A 51 51.813 45.180 -15.597 1.00 0.00 H new ATOM 0 HD3 ARG A 51 50.362 45.155 -14.615 1.00 0.00 H new ATOM 0 HE ARG A 51 53.110 45.595 -13.673 1.00 0.00 H new ATOM 0 HH11 ARG A 51 49.845 44.537 -12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 50.033 44.911 -11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 51 53.313 46.062 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 51 51.972 45.764 -10.363 1.00 0.00 H new ATOM 774 N ASN A 52 52.251 40.332 -14.484 1.00 0.00 N ATOM 775 CA ASN A 52 53.549 39.736 -14.197 1.00 0.00 C ATOM 776 C ASN A 52 53.702 38.412 -14.939 1.00 0.00 C ATOM 777 O ASN A 52 54.774 38.098 -15.455 1.00 0.00 O ATOM 778 CB ASN A 52 53.696 39.500 -12.692 1.00 0.00 C ATOM 779 CG ASN A 52 55.163 39.605 -12.286 1.00 0.00 C ATOM 780 OD1 ASN A 52 55.472 40.066 -11.187 1.00 0.00 O ATOM 781 ND2 ASN A 52 56.090 39.203 -13.112 1.00 0.00 N ATOM 0 H ASN A 52 51.665 40.493 -13.665 1.00 0.00 H new ATOM 0 HA ASN A 52 54.327 40.422 -14.533 1.00 0.00 H new ATOM 0 HB2 ASN A 52 53.105 40.232 -12.142 1.00 0.00 H new ATOM 0 HB3 ASN A 52 53.308 38.516 -12.431 1.00 0.00 H new ATOM 0 HD21 ASN A 52 57.073 39.270 -12.848 1.00 0.00 H new ATOM 0 HD22 ASN A 52 55.832 38.821 -14.022 1.00 0.00 H new ATOM 788 N ALA A 53 52.620 37.641 -14.987 1.00 0.00 N ATOM 789 CA ALA A 53 52.640 36.351 -15.667 1.00 0.00 C ATOM 790 C ALA A 53 52.887 36.528 -17.163 1.00 0.00 C ATOM 791 O ALA A 53 53.682 35.801 -17.759 1.00 0.00 O ATOM 792 CB ALA A 53 51.308 35.630 -15.452 1.00 0.00 C ATOM 0 H ALA A 53 51.724 37.885 -14.566 1.00 0.00 H new ATOM 0 HA ALA A 53 53.452 35.757 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA A 53 51.329 34.667 -15.962 1.00 0.00 H new ATOM 0 HB2 ALA A 53 51.148 35.472 -14.385 1.00 0.00 H new ATOM 0 HB3 ALA A 53 50.497 36.236 -15.855 1.00 0.00 H new ATOM 798 N VAL A 54 52.198 37.490 -17.767 1.00 0.00 N ATOM 799 CA VAL A 54 52.352 37.742 -19.197 1.00 0.00 C ATOM 800 C VAL A 54 53.669 38.459 -19.486 1.00 0.00 C ATOM 801 O VAL A 54 54.171 38.421 -20.610 1.00 0.00 O ATOM 802 CB VAL A 54 51.177 38.584 -19.708 1.00 0.00 C ATOM 803 CG1 VAL A 54 51.596 40.052 -19.833 1.00 0.00 C ATOM 804 CG2 VAL A 54 50.739 38.062 -21.079 1.00 0.00 C ATOM 0 H VAL A 54 51.533 38.103 -17.295 1.00 0.00 H new ATOM 0 HA VAL A 54 52.363 36.783 -19.715 1.00 0.00 H new ATOM 0 HB VAL A 54 50.350 38.509 -19.002 1.00 0.00 H new ATOM 0 HG11 VAL A 54 50.754 40.641 -20.197 1.00 0.00 H new ATOM 0 HG12 VAL A 54 51.906 40.426 -18.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 52.426 40.135 -20.534 1.00 0.00 H new ATOM 0 HG21 VAL A 54 49.904 38.658 -21.445 1.00 0.00 H new ATOM 0 HG22 VAL A 54 51.571 38.135 -21.779 1.00 0.00 H new ATOM 0 HG23 VAL A 54 50.430 37.021 -20.990 1.00 0.00 H new ATOM 814 N GLU A 55 54.226 39.112 -18.469 1.00 0.00 N ATOM 815 CA GLU A 55 55.482 39.831 -18.640 1.00 0.00 C ATOM 816 C GLU A 55 56.657 38.858 -18.664 1.00 0.00 C ATOM 817 O GLU A 55 57.424 38.821 -19.626 1.00 0.00 O ATOM 818 CB GLU A 55 55.669 40.836 -17.501 1.00 0.00 C ATOM 819 CG GLU A 55 56.738 41.858 -17.892 1.00 0.00 C ATOM 820 CD GLU A 55 58.129 41.257 -17.713 1.00 0.00 C ATOM 821 OE1 GLU A 55 58.269 40.371 -16.886 1.00 0.00 O ATOM 822 OE2 GLU A 55 59.034 41.693 -18.405 1.00 0.00 O ATOM 0 H GLU A 55 53.832 39.157 -17.529 1.00 0.00 H new ATOM 0 HA GLU A 55 55.448 40.364 -19.590 1.00 0.00 H new ATOM 0 HB2 GLU A 55 54.727 41.342 -17.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 55.963 40.317 -16.589 1.00 0.00 H new ATOM 0 HG2 GLU A 55 56.597 42.165 -18.928 1.00 0.00 H new ATOM 0 HG3 GLU A 55 56.638 42.753 -17.278 1.00 0.00 H new ATOM 829 N VAL A 56 56.793 38.074 -17.599 1.00 0.00 N ATOM 830 CA VAL A 56 57.881 37.108 -17.513 1.00 0.00 C ATOM 831 C VAL A 56 57.945 36.261 -18.781 1.00 0.00 C ATOM 832 O VAL A 56 59.024 35.848 -19.207 1.00 0.00 O ATOM 833 CB VAL A 56 57.691 36.203 -16.293 1.00 0.00 C ATOM 834 CG1 VAL A 56 56.360 35.459 -16.403 1.00 0.00 C ATOM 835 CG2 VAL A 56 58.836 35.189 -16.230 1.00 0.00 C ATOM 0 H VAL A 56 56.170 38.088 -16.791 1.00 0.00 H new ATOM 0 HA VAL A 56 58.818 37.655 -17.408 1.00 0.00 H new ATOM 0 HB VAL A 56 57.689 36.812 -15.389 1.00 0.00 H new ATOM 0 HG11 VAL A 56 56.229 34.816 -15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 56 55.543 36.179 -16.448 1.00 0.00 H new ATOM 0 HG13 VAL A 56 56.357 34.850 -17.307 1.00 0.00 H new ATOM 0 HG21 VAL A 56 58.703 34.543 -15.362 1.00 0.00 H new ATOM 0 HG22 VAL A 56 58.836 34.583 -17.136 1.00 0.00 H new ATOM 0 HG23 VAL A 56 59.786 35.717 -16.147 1.00 0.00 H new ATOM 845 N LEU A 57 56.787 36.013 -19.385 1.00 0.00 N ATOM 846 CA LEU A 57 56.736 35.220 -20.609 1.00 0.00 C ATOM 847 C LEU A 57 57.466 35.946 -21.734 1.00 0.00 C ATOM 848 O LEU A 57 58.167 35.328 -22.535 1.00 0.00 O ATOM 849 CB LEU A 57 55.282 34.966 -21.016 1.00 0.00 C ATOM 850 CG LEU A 57 54.933 33.497 -20.773 1.00 0.00 C ATOM 851 CD1 LEU A 57 54.899 33.220 -19.269 1.00 0.00 C ATOM 852 CD2 LEU A 57 53.560 33.193 -21.377 1.00 0.00 C ATOM 0 H LEU A 57 55.882 36.345 -19.052 1.00 0.00 H new ATOM 0 HA LEU A 57 57.225 34.263 -20.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 54.615 35.609 -20.442 1.00 0.00 H new ATOM 0 HB3 LEU A 57 55.139 35.216 -22.067 1.00 0.00 H new ATOM 0 HG LEU A 57 55.686 32.864 -21.241 1.00 0.00 H new ATOM 0 HD11 LEU A 57 54.650 32.173 -19.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 55.876 33.436 -18.837 1.00 0.00 H new ATOM 0 HD13 LEU A 57 54.146 33.853 -18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 53.310 32.146 -21.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 52.808 33.828 -20.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 53.583 33.389 -22.449 1.00 0.00 H new ATOM 864 N LYS A 58 57.303 37.264 -21.777 1.00 0.00 N ATOM 865 CA LYS A 58 57.957 38.077 -22.796 1.00 0.00 C ATOM 866 C LYS A 58 59.467 38.089 -22.582 1.00 0.00 C ATOM 867 O LYS A 58 60.239 37.989 -23.535 1.00 0.00 O ATOM 868 CB LYS A 58 57.425 39.511 -22.739 1.00 0.00 C ATOM 869 CG LYS A 58 55.986 39.546 -23.261 1.00 0.00 C ATOM 870 CD LYS A 58 55.993 39.460 -24.788 1.00 0.00 C ATOM 871 CE LYS A 58 54.577 39.691 -25.318 1.00 0.00 C ATOM 872 NZ LYS A 58 53.695 38.570 -24.885 1.00 0.00 N ATOM 0 H LYS A 58 56.726 37.790 -21.121 1.00 0.00 H new ATOM 0 HA LYS A 58 57.741 37.645 -23.773 1.00 0.00 H new ATOM 0 HB2 LYS A 58 57.460 39.882 -21.715 1.00 0.00 H new ATOM 0 HB3 LYS A 58 58.056 40.168 -23.338 1.00 0.00 H new ATOM 0 HG2 LYS A 58 55.416 38.716 -22.842 1.00 0.00 H new ATOM 0 HG3 LYS A 58 55.494 40.464 -22.940 1.00 0.00 H new ATOM 0 HD2 LYS A 58 56.674 40.204 -25.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 56.357 38.483 -25.106 1.00 0.00 H new ATOM 0 HE2 LYS A 58 54.188 40.639 -24.946 1.00 0.00 H new ATOM 0 HE3 LYS A 58 54.591 39.758 -26.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 52.802 38.605 -25.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 54.171 37.663 -25.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 53.495 38.658 -23.868 1.00 0.00 H new ATOM 886 N ARG A 59 59.881 38.218 -21.326 1.00 0.00 N ATOM 887 CA ARG A 59 61.302 38.248 -20.997 1.00 0.00 C ATOM 888 C ARG A 59 61.968 36.919 -21.344 1.00 0.00 C ATOM 889 O ARG A 59 63.115 36.889 -21.789 1.00 0.00 O ATOM 890 CB ARG A 59 61.487 38.539 -19.506 1.00 0.00 C ATOM 891 CG ARG A 59 62.956 38.863 -19.226 1.00 0.00 C ATOM 892 CD ARG A 59 63.666 37.613 -18.704 1.00 0.00 C ATOM 893 NE ARG A 59 65.034 37.936 -18.310 1.00 0.00 N ATOM 894 CZ ARG A 59 65.870 37.005 -17.845 1.00 0.00 C ATOM 895 NH1 ARG A 59 65.486 35.759 -17.726 1.00 0.00 N ATOM 896 NH2 ARG A 59 67.084 37.341 -17.505 1.00 0.00 N ATOM 0 H ARG A 59 59.257 38.303 -20.523 1.00 0.00 H new ATOM 0 HA ARG A 59 61.771 39.037 -21.584 1.00 0.00 H new ATOM 0 HB2 ARG A 59 60.856 39.376 -19.207 1.00 0.00 H new ATOM 0 HB3 ARG A 59 61.175 37.678 -18.915 1.00 0.00 H new ATOM 0 HG2 ARG A 59 63.441 39.216 -20.136 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.028 39.667 -18.494 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.121 37.206 -17.852 1.00 0.00 H new ATOM 0 HD3 ARG A 59 63.674 36.842 -19.475 1.00 0.00 H new ATOM 0 HE ARG A 59 65.360 38.899 -18.392 1.00 0.00 H new ATOM 0 HH11 ARG A 59 64.538 35.490 -17.990 1.00 0.00 H new ATOM 0 HH12 ARG A 59 66.135 35.057 -17.369 1.00 0.00 H new ATOM 0 HH21 ARG A 59 67.389 38.310 -17.595 1.00 0.00 H new ATOM 0 HH22 ARG A 59 67.728 36.635 -17.149 1.00 0.00 H new ATOM 910 N GLU A 60 61.245 35.823 -21.134 1.00 0.00 N ATOM 911 CA GLU A 60 61.785 34.499 -21.424 1.00 0.00 C ATOM 912 C GLU A 60 60.970 33.809 -22.515 1.00 0.00 C ATOM 913 O GLU A 60 60.186 32.902 -22.236 1.00 0.00 O ATOM 914 CB GLU A 60 61.766 33.643 -20.156 1.00 0.00 C ATOM 915 CG GLU A 60 62.478 32.316 -20.425 1.00 0.00 C ATOM 916 CD GLU A 60 62.453 31.448 -19.172 1.00 0.00 C ATOM 917 OE1 GLU A 60 62.139 30.276 -19.293 1.00 0.00 O ATOM 918 OE2 GLU A 60 62.748 31.969 -18.108 1.00 0.00 O ATOM 0 H GLU A 60 60.293 35.824 -20.768 1.00 0.00 H new ATOM 0 HA GLU A 60 62.811 34.615 -21.774 1.00 0.00 H new ATOM 0 HB2 GLU A 60 62.257 34.172 -19.340 1.00 0.00 H new ATOM 0 HB3 GLU A 60 60.738 33.459 -19.844 1.00 0.00 H new ATOM 0 HG2 GLU A 60 61.992 31.794 -21.249 1.00 0.00 H new ATOM 0 HG3 GLU A 60 63.508 32.502 -20.728 1.00 0.00 H new ATOM 925 N PRO A 61 61.145 34.219 -23.744 1.00 0.00 N ATOM 926 CA PRO A 61 60.417 33.626 -24.904 1.00 0.00 C ATOM 927 C PRO A 61 60.930 32.230 -25.263 1.00 0.00 C ATOM 928 O PRO A 61 60.352 31.547 -26.108 1.00 0.00 O ATOM 929 CB PRO A 61 60.686 34.614 -26.040 1.00 0.00 C ATOM 930 CG PRO A 61 61.977 35.277 -25.689 1.00 0.00 C ATOM 931 CD PRO A 61 62.059 35.294 -24.162 1.00 0.00 C ATOM 0 HA PRO A 61 59.357 33.487 -24.692 1.00 0.00 H new ATOM 0 HB2 PRO A 61 60.756 34.101 -26.999 1.00 0.00 H new ATOM 0 HB3 PRO A 61 59.880 35.343 -26.126 1.00 0.00 H new ATOM 0 HG2 PRO A 61 62.820 34.734 -26.116 1.00 0.00 H new ATOM 0 HG3 PRO A 61 62.014 36.290 -26.090 1.00 0.00 H new ATOM 0 HD2 PRO A 61 63.076 35.111 -23.815 1.00 0.00 H new ATOM 0 HD3 PRO A 61 61.753 36.258 -23.757 1.00 0.00 H new ATOM 939 N LEU A 62 62.017 31.813 -24.618 1.00 0.00 N ATOM 940 CA LEU A 62 62.596 30.502 -24.881 1.00 0.00 C ATOM 941 C LEU A 62 61.575 29.402 -24.610 1.00 0.00 C ATOM 942 O LEU A 62 61.476 28.434 -25.363 1.00 0.00 O ATOM 943 CB LEU A 62 63.828 30.295 -23.993 1.00 0.00 C ATOM 944 CG LEU A 62 64.443 28.917 -24.259 1.00 0.00 C ATOM 945 CD1 LEU A 62 64.943 28.844 -25.703 1.00 0.00 C ATOM 946 CD2 LEU A 62 65.618 28.696 -23.304 1.00 0.00 C ATOM 0 H LEU A 62 62.511 32.362 -23.914 1.00 0.00 H new ATOM 0 HA LEU A 62 62.890 30.453 -25.929 1.00 0.00 H new ATOM 0 HB2 LEU A 62 64.564 31.075 -24.191 1.00 0.00 H new ATOM 0 HB3 LEU A 62 63.548 30.380 -22.943 1.00 0.00 H new ATOM 0 HG LEU A 62 63.688 28.147 -24.100 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.380 27.862 -25.888 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.108 29.004 -26.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.698 29.613 -25.866 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.059 27.716 -23.490 1.00 0.00 H new ATOM 0 HD22 LEU A 62 66.369 29.469 -23.467 1.00 0.00 H new ATOM 0 HD23 LEU A 62 65.264 28.745 -22.274 1.00 0.00 H new ATOM 958 N ASN A 63 60.819 29.557 -23.528 1.00 0.00 N ATOM 959 CA ASN A 63 59.811 28.568 -23.166 1.00 0.00 C ATOM 960 C ASN A 63 58.710 28.513 -24.221 1.00 0.00 C ATOM 961 O ASN A 63 58.077 27.476 -24.418 1.00 0.00 O ATOM 962 CB ASN A 63 59.201 28.917 -21.807 1.00 0.00 C ATOM 963 CG ASN A 63 58.236 30.089 -21.951 1.00 0.00 C ATOM 964 OD1 ASN A 63 58.530 31.053 -22.658 1.00 0.00 O ATOM 965 ND2 ASN A 63 57.095 30.064 -21.320 1.00 0.00 N ATOM 0 H ASN A 63 60.884 30.351 -22.891 1.00 0.00 H new ATOM 0 HA ASN A 63 60.292 27.592 -23.108 1.00 0.00 H new ATOM 0 HB2 ASN A 63 58.676 28.052 -21.402 1.00 0.00 H new ATOM 0 HB3 ASN A 63 59.991 29.171 -21.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 56.444 30.844 -21.412 1.00 0.00 H new ATOM 0 HD22 ASN A 63 56.853 29.264 -20.735 1.00 0.00 H new ATOM 972 N TYR A 64 58.488 29.636 -24.898 1.00 0.00 N ATOM 973 CA TYR A 64 57.461 29.701 -25.931 1.00 0.00 C ATOM 974 C TYR A 64 57.926 28.977 -27.191 1.00 0.00 C ATOM 975 O TYR A 64 57.169 28.224 -27.804 1.00 0.00 O ATOM 976 CB TYR A 64 57.147 31.161 -26.264 1.00 0.00 C ATOM 977 CG TYR A 64 56.038 31.219 -27.288 1.00 0.00 C ATOM 978 CD1 TYR A 64 54.710 31.015 -26.895 1.00 0.00 C ATOM 979 CD2 TYR A 64 56.339 31.478 -28.631 1.00 0.00 C ATOM 980 CE1 TYR A 64 53.683 31.070 -27.844 1.00 0.00 C ATOM 981 CE2 TYR A 64 55.311 31.533 -29.580 1.00 0.00 C ATOM 982 CZ TYR A 64 53.983 31.329 -29.187 1.00 0.00 C ATOM 983 OH TYR A 64 52.970 31.384 -30.122 1.00 0.00 O ATOM 0 H TYR A 64 59.001 30.506 -24.751 1.00 0.00 H new ATOM 0 HA TYR A 64 56.561 29.214 -25.556 1.00 0.00 H new ATOM 0 HB2 TYR A 64 56.851 31.695 -25.361 1.00 0.00 H new ATOM 0 HB3 TYR A 64 58.038 31.657 -26.649 1.00 0.00 H new ATOM 0 HD1 TYR A 64 54.478 30.815 -25.859 1.00 0.00 H new ATOM 0 HD2 TYR A 64 57.363 31.635 -28.934 1.00 0.00 H new ATOM 0 HE1 TYR A 64 52.659 30.913 -27.540 1.00 0.00 H new ATOM 0 HE2 TYR A 64 55.543 31.733 -30.616 1.00 0.00 H new ATOM 0 HH TYR A 64 53.350 31.574 -31.005 1.00 0.00 H new ATOM 993 N LEU A 65 59.179 29.212 -27.567 1.00 0.00 N ATOM 994 CA LEU A 65 59.743 28.579 -28.754 1.00 0.00 C ATOM 995 C LEU A 65 59.986 27.091 -28.496 1.00 0.00 C ATOM 996 O LEU A 65 60.086 26.666 -27.345 1.00 0.00 O ATOM 997 CB LEU A 65 61.063 29.260 -29.126 1.00 0.00 C ATOM 998 CG LEU A 65 60.798 30.715 -29.519 1.00 0.00 C ATOM 999 CD1 LEU A 65 62.128 31.458 -29.648 1.00 0.00 C ATOM 1000 CD2 LEU A 65 60.060 30.756 -30.861 1.00 0.00 C ATOM 0 H LEU A 65 59.819 29.832 -27.071 1.00 0.00 H new ATOM 0 HA LEU A 65 59.037 28.684 -29.578 1.00 0.00 H new ATOM 0 HB2 LEU A 65 61.754 29.220 -28.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 61.537 28.730 -29.952 1.00 0.00 H new ATOM 0 HG LEU A 65 60.187 31.192 -28.753 1.00 0.00 H new ATOM 0 HD11 LEU A 65 61.940 32.495 -29.928 1.00 0.00 H new ATOM 0 HD12 LEU A 65 62.655 31.430 -28.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 62.739 30.980 -30.414 1.00 0.00 H new ATOM 0 HD21 LEU A 65 59.871 31.792 -31.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 60.671 30.279 -31.627 1.00 0.00 H new ATOM 0 HD23 LEU A 65 59.112 30.226 -30.771 1.00 0.00 H new ATOM 1012 N PRO A 66 60.081 26.295 -29.533 1.00 0.00 N ATOM 1013 CA PRO A 66 60.317 24.826 -29.394 1.00 0.00 C ATOM 1014 C PRO A 66 61.539 24.521 -28.531 1.00 0.00 C ATOM 1015 O PRO A 66 62.558 25.206 -28.617 1.00 0.00 O ATOM 1016 CB PRO A 66 60.534 24.347 -30.832 1.00 0.00 C ATOM 1017 CG PRO A 66 59.877 25.371 -31.695 1.00 0.00 C ATOM 1018 CD PRO A 66 59.976 26.698 -30.946 1.00 0.00 C ATOM 0 HA PRO A 66 59.485 24.327 -28.898 1.00 0.00 H new ATOM 0 HB2 PRO A 66 61.596 24.263 -31.062 1.00 0.00 H new ATOM 0 HB3 PRO A 66 60.095 23.362 -30.988 1.00 0.00 H new ATOM 0 HG2 PRO A 66 60.370 25.435 -32.665 1.00 0.00 H new ATOM 0 HG3 PRO A 66 58.836 25.109 -31.884 1.00 0.00 H new ATOM 0 HD2 PRO A 66 60.846 27.273 -31.264 1.00 0.00 H new ATOM 0 HD3 PRO A 66 59.100 27.322 -31.120 1.00 0.00 H new