USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 53 LYS NZ :NH3+ -165:sc= 1.79 (180deg=1.74) USER MOD Set 1.2: A 59 THR OG1 : rot 167:sc= 0.414 USER MOD Set 2.1: A 22 THR OG1 : rot -12:sc= 0.213 USER MOD Set 2.2: A 25 THR OG1 : rot -70:sc= 1.48 USER MOD Set 2.3: A 27 CYS SG : rot -81:sc= 1.23 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.56 USER MOD Single : A 15 GLN : amide:sc= -4.68! K(o=-4.7!,f=-0.56) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 106:sc= 0.161 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0552) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 80:sc= -0.378 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 100:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.82) USER MOD Single : A 39 ASN : amide:sc= 0.732 K(o=0.73,f=-0.32) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.329 K(o=-0.33,f=-8.2!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0016) USER MOD Single : A 50 TYR OH : rot 165:sc=-0.00782 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -30:sc= 0.503 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 15.491 6.781 -2.721 1.00 0.00 N ATOM 2 CA ILE A 6 15.304 7.194 -4.111 1.00 0.00 C ATOM 3 C ILE A 6 15.641 6.026 -5.042 1.00 0.00 C ATOM 4 O ILE A 6 16.047 6.196 -6.190 1.00 0.00 O ATOM 5 CB ILE A 6 16.110 8.472 -4.405 1.00 0.00 C ATOM 6 CG1 ILE A 6 15.821 9.584 -3.382 1.00 0.00 C ATOM 7 CG2 ILE A 6 15.791 9.007 -5.802 1.00 0.00 C ATOM 8 CD1 ILE A 6 14.396 10.140 -3.477 1.00 0.00 C ATOM 0 HA ILE A 6 14.261 7.451 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 6 17.162 8.195 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 6 15.986 9.195 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.531 10.397 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 6 16.372 9.910 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.045 8.253 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.728 9.240 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 6 14.259 10.920 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 6 14.234 10.558 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.680 9.338 -3.300 1.00 0.00 H new ATOM 19 N LYS A 7 15.465 4.809 -4.530 1.00 0.00 N ATOM 20 CA LYS A 7 15.757 3.576 -5.242 1.00 0.00 C ATOM 21 C LYS A 7 14.608 3.181 -6.154 1.00 0.00 C ATOM 22 O LYS A 7 14.230 2.011 -6.233 1.00 0.00 O ATOM 23 CB LYS A 7 16.110 2.485 -4.242 1.00 0.00 C ATOM 24 CG LYS A 7 17.358 2.862 -3.438 1.00 0.00 C ATOM 25 CD LYS A 7 18.615 2.891 -4.309 1.00 0.00 C ATOM 26 CE LYS A 7 19.824 3.344 -3.490 1.00 0.00 C ATOM 27 NZ LYS A 7 20.159 2.380 -2.424 1.00 0.00 N ATOM 0 H LYS A 7 15.107 4.654 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 7 16.619 3.729 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.272 2.322 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.282 1.546 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.212 3.840 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.496 2.147 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.800 1.900 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.465 3.566 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.683 3.469 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.618 4.318 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.084 2.623 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.432 2.417 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.198 1.421 -2.823 1.00 0.00 H new ATOM 41 N ARG A 8 14.053 4.176 -6.848 1.00 0.00 N ATOM 42 CA ARG A 8 12.960 4.005 -7.796 1.00 0.00 C ATOM 43 C ARG A 8 13.428 3.375 -9.097 1.00 0.00 C ATOM 44 O ARG A 8 12.811 3.549 -10.149 1.00 0.00 O ATOM 45 CB ARG A 8 12.226 5.329 -7.984 1.00 0.00 C ATOM 46 CG ARG A 8 13.130 6.382 -8.586 1.00 0.00 C ATOM 47 CD ARG A 8 12.410 7.727 -8.584 1.00 0.00 C ATOM 48 NE ARG A 8 13.231 8.772 -9.204 1.00 0.00 N ATOM 49 CZ ARG A 8 13.256 9.032 -10.515 1.00 0.00 C ATOM 50 NH1 ARG A 8 12.509 8.331 -11.365 1.00 0.00 N ATOM 51 NH2 ARG A 8 14.035 10.002 -10.987 1.00 0.00 N ATOM 0 H ARG A 8 14.361 5.145 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 8 12.242 3.295 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.361 5.178 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.849 5.678 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.056 6.452 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.403 6.104 -9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.466 7.637 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.169 8.011 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 8 13.822 9.338 -8.595 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.907 7.584 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.539 8.541 -12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.614 10.548 -10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.054 10.200 -11.987 1.00 0.00 H new ATOM 65 N LYS A 9 14.538 2.640 -9.006 1.00 0.00 N ATOM 66 CA LYS A 9 15.250 2.081 -10.147 1.00 0.00 C ATOM 67 C LYS A 9 15.839 0.718 -9.813 1.00 0.00 C ATOM 68 O LYS A 9 16.694 0.210 -10.536 1.00 0.00 O ATOM 69 CB LYS A 9 16.345 3.065 -10.574 1.00 0.00 C ATOM 70 CG LYS A 9 15.762 4.471 -10.748 1.00 0.00 C ATOM 71 CD LYS A 9 16.872 5.441 -11.141 1.00 0.00 C ATOM 72 CE LYS A 9 16.290 6.843 -11.332 1.00 0.00 C ATOM 73 NZ LYS A 9 17.340 7.811 -11.707 1.00 0.00 N ATOM 0 H LYS A 9 14.974 2.414 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 9 14.553 1.933 -10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.138 3.083 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.796 2.733 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.986 4.462 -11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.291 4.798 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.642 5.459 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.350 5.107 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.522 6.818 -12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.805 7.167 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.916 8.753 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.060 7.850 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.785 7.513 -12.599 1.00 0.00 H new ATOM 87 N ASP A 10 15.377 0.134 -8.708 1.00 0.00 N ATOM 88 CA ASP A 10 15.905 -1.126 -8.203 1.00 0.00 C ATOM 89 C ASP A 10 14.847 -1.964 -7.483 1.00 0.00 C ATOM 90 O ASP A 10 14.982 -3.185 -7.409 1.00 0.00 O ATOM 91 CB ASP A 10 17.026 -0.787 -7.226 1.00 0.00 C ATOM 92 CG ASP A 10 17.828 -2.023 -6.831 1.00 0.00 C ATOM 93 OD1 ASP A 10 18.511 -2.575 -7.722 1.00 0.00 O ATOM 94 OD2 ASP A 10 17.752 -2.408 -5.642 1.00 0.00 O ATOM 0 H ASP A 10 14.625 0.524 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 10 16.257 -1.721 -9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.691 -0.051 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.603 -0.328 -6.333 1.00 0.00 H new ATOM 99 N ALA A 11 13.802 -1.314 -6.963 1.00 0.00 N ATOM 100 CA ALA A 11 12.717 -1.969 -6.253 1.00 0.00 C ATOM 101 C ALA A 11 13.251 -2.709 -5.034 1.00 0.00 C ATOM 102 O ALA A 11 13.280 -3.938 -4.966 1.00 0.00 O ATOM 103 CB ALA A 11 11.869 -2.826 -7.188 1.00 0.00 C ATOM 0 H ALA A 11 13.691 -0.302 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 11 12.031 -1.213 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.068 -3.300 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.439 -2.197 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.494 -3.594 -7.644 1.00 0.00 H new ATOM 109 N SER A 12 13.667 -1.879 -4.081 1.00 0.00 N ATOM 110 CA SER A 12 14.044 -2.210 -2.721 1.00 0.00 C ATOM 111 C SER A 12 12.947 -3.042 -2.040 1.00 0.00 C ATOM 112 O SER A 12 11.954 -3.420 -2.661 1.00 0.00 O ATOM 113 CB SER A 12 14.278 -0.863 -2.039 1.00 0.00 C ATOM 114 OG SER A 12 15.496 -0.817 -1.325 1.00 0.00 O ATOM 0 H SER A 12 13.754 -0.879 -4.261 1.00 0.00 H new ATOM 0 HA SER A 12 14.939 -2.830 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.273 -0.074 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.453 -0.658 -1.356 1.00 0.00 H new ATOM 0 HG SER A 12 15.599 0.065 -0.910 1.00 0.00 H new ATOM 120 N PRO A 13 13.115 -3.333 -0.750 1.00 0.00 N ATOM 121 CA PRO A 13 12.335 -4.295 0.006 1.00 0.00 C ATOM 122 C PRO A 13 11.052 -3.649 0.490 1.00 0.00 C ATOM 123 O PRO A 13 10.069 -4.317 0.803 1.00 0.00 O ATOM 124 CB PRO A 13 13.242 -4.635 1.184 1.00 0.00 C ATOM 125 CG PRO A 13 14.030 -3.349 1.424 1.00 0.00 C ATOM 126 CD PRO A 13 14.102 -2.682 0.075 1.00 0.00 C ATOM 0 HA PRO A 13 12.045 -5.173 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.665 -4.920 2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.902 -5.471 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.532 -2.711 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.026 -3.562 1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.897 -1.615 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.098 -2.783 -0.356 1.00 0.00 H new ATOM 134 N GLU A 14 11.092 -2.322 0.535 1.00 0.00 N ATOM 135 CA GLU A 14 9.949 -1.507 0.867 1.00 0.00 C ATOM 136 C GLU A 14 9.317 -0.986 -0.409 1.00 0.00 C ATOM 137 O GLU A 14 8.121 -0.732 -0.444 1.00 0.00 O ATOM 138 CB GLU A 14 10.418 -0.329 1.712 1.00 0.00 C ATOM 139 CG GLU A 14 11.402 -0.798 2.778 1.00 0.00 C ATOM 140 CD GLU A 14 11.645 0.267 3.842 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.978 1.409 3.456 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.495 -0.067 5.040 1.00 0.00 O ATOM 0 H GLU A 14 11.935 -1.783 0.338 1.00 0.00 H new ATOM 0 HA GLU A 14 9.218 -2.097 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.891 0.418 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.561 0.151 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.019 -1.702 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.349 -1.061 2.306 1.00 0.00 H new ATOM 149 N GLN A 15 10.123 -0.824 -1.465 1.00 0.00 N ATOM 150 CA GLN A 15 9.662 -0.240 -2.711 1.00 0.00 C ATOM 151 C GLN A 15 8.892 -1.275 -3.523 1.00 0.00 C ATOM 152 O GLN A 15 8.199 -0.923 -4.473 1.00 0.00 O ATOM 153 CB GLN A 15 10.876 0.233 -3.514 1.00 0.00 C ATOM 154 CG GLN A 15 11.777 1.281 -2.854 1.00 0.00 C ATOM 155 CD GLN A 15 11.040 2.409 -2.169 1.00 0.00 C ATOM 156 OE1 GLN A 15 11.078 3.563 -2.583 1.00 0.00 O ATOM 157 NE2 GLN A 15 10.360 2.039 -1.097 1.00 0.00 N ATOM 0 H GLN A 15 11.106 -1.095 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 15 9.003 0.601 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.486 -0.638 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.519 0.640 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.413 0.784 -2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.435 1.704 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.366 1.063 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.829 2.730 -0.566 1.00 0.00 H new ATOM 166 N GLU A 16 9.004 -2.555 -3.160 1.00 0.00 N ATOM 167 CA GLU A 16 8.306 -3.602 -3.893 1.00 0.00 C ATOM 168 C GLU A 16 6.862 -3.659 -3.421 1.00 0.00 C ATOM 169 O GLU A 16 6.026 -4.320 -4.036 1.00 0.00 O ATOM 170 CB GLU A 16 9.016 -4.947 -3.726 1.00 0.00 C ATOM 171 CG GLU A 16 9.070 -5.345 -2.253 1.00 0.00 C ATOM 172 CD GLU A 16 9.580 -6.774 -2.088 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.814 -6.963 -2.159 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.730 -7.674 -1.893 1.00 0.00 O ATOM 0 H GLU A 16 9.564 -2.884 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 16 8.313 -3.374 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.493 -5.714 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.027 -4.884 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.721 -4.659 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.077 -5.257 -1.813 1.00 0.00 H new ATOM 181 N ALA A 17 6.578 -2.955 -2.323 1.00 0.00 N ATOM 182 CA ALA A 17 5.224 -2.761 -1.861 1.00 0.00 C ATOM 183 C ALA A 17 4.831 -1.298 -1.996 1.00 0.00 C ATOM 184 O ALA A 17 3.772 -1.012 -2.542 1.00 0.00 O ATOM 185 CB ALA A 17 5.090 -3.291 -0.433 1.00 0.00 C ATOM 0 H ALA A 17 7.286 -2.509 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 17 4.527 -3.327 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.068 -3.144 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.330 -4.354 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.777 -2.753 0.221 1.00 0.00 H new ATOM 191 N ILE A 18 5.656 -0.364 -1.522 1.00 0.00 N ATOM 192 CA ILE A 18 5.334 1.052 -1.587 1.00 0.00 C ATOM 193 C ILE A 18 5.128 1.516 -3.013 1.00 0.00 C ATOM 194 O ILE A 18 4.140 2.186 -3.284 1.00 0.00 O ATOM 195 CB ILE A 18 6.447 1.870 -0.926 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.199 1.796 0.570 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.433 3.332 -1.369 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.457 2.169 1.354 1.00 0.00 C ATOM 0 H ILE A 18 6.556 -0.570 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 18 4.398 1.206 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 18 7.418 1.466 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.385 2.468 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.883 0.788 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.241 3.870 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.570 3.386 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.478 3.784 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.251 2.108 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.262 1.480 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.756 3.186 1.100 1.00 0.00 H new ATOM 210 N GLU A 19 6.025 1.180 -3.938 1.00 0.00 N ATOM 211 CA GLU A 19 5.884 1.713 -5.280 1.00 0.00 C ATOM 212 C GLU A 19 4.763 1.006 -6.028 1.00 0.00 C ATOM 213 O GLU A 19 4.231 1.532 -7.005 1.00 0.00 O ATOM 214 CB GLU A 19 7.211 1.633 -6.019 1.00 0.00 C ATOM 215 CG GLU A 19 8.277 2.315 -5.171 1.00 0.00 C ATOM 216 CD GLU A 19 9.489 2.715 -6.008 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.087 1.818 -6.644 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.814 3.924 -6.006 1.00 0.00 O ATOM 0 H GLU A 19 6.825 0.565 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 19 5.607 2.765 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.481 0.593 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.133 2.118 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.854 3.200 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.591 1.644 -4.372 1.00 0.00 H new ATOM 225 N SER A 20 4.396 -0.190 -5.563 1.00 0.00 N ATOM 226 CA SER A 20 3.329 -0.950 -6.186 1.00 0.00 C ATOM 227 C SER A 20 2.004 -0.467 -5.618 1.00 0.00 C ATOM 228 O SER A 20 0.970 -0.520 -6.282 1.00 0.00 O ATOM 229 CB SER A 20 3.522 -2.433 -5.887 1.00 0.00 C ATOM 230 OG SER A 20 2.674 -3.204 -6.713 1.00 0.00 O ATOM 0 H SER A 20 4.826 -0.646 -4.758 1.00 0.00 H new ATOM 0 HA SER A 20 3.339 -0.809 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.562 -2.714 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.303 -2.633 -4.838 1.00 0.00 H new ATOM 0 HG SER A 20 2.804 -4.155 -6.517 1.00 0.00 H new ATOM 236 N PHE A 21 2.046 0.011 -4.374 1.00 0.00 N ATOM 237 CA PHE A 21 0.862 0.424 -3.666 1.00 0.00 C ATOM 238 C PHE A 21 0.537 1.843 -4.071 1.00 0.00 C ATOM 239 O PHE A 21 -0.567 2.145 -4.509 1.00 0.00 O ATOM 240 CB PHE A 21 1.174 0.323 -2.184 1.00 0.00 C ATOM 241 CG PHE A 21 -0.032 0.364 -1.290 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.595 1.578 -0.886 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.578 -0.849 -0.872 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.701 1.576 -0.024 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.680 -0.853 -0.010 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.236 0.359 0.419 1.00 0.00 C ATOM 0 H PHE A 21 2.908 0.118 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.002 -0.199 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.714 -0.606 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.842 1.139 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.181 2.512 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.152 -1.781 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.139 2.509 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.102 -1.789 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.080 0.355 1.093 1.00 0.00 H new ATOM 256 N THR A 22 1.532 2.711 -3.919 1.00 0.00 N ATOM 257 CA THR A 22 1.429 4.113 -4.267 1.00 0.00 C ATOM 258 C THR A 22 1.033 4.324 -5.732 1.00 0.00 C ATOM 259 O THR A 22 0.378 5.316 -6.043 1.00 0.00 O ATOM 260 CB THR A 22 2.781 4.739 -3.949 1.00 0.00 C ATOM 261 OG1 THR A 22 2.649 6.129 -3.771 1.00 0.00 O ATOM 262 CG2 THR A 22 3.778 4.457 -5.067 1.00 0.00 C ATOM 0 H THR A 22 2.444 2.450 -3.544 1.00 0.00 H new ATOM 0 HA THR A 22 0.635 4.589 -3.692 1.00 0.00 H new ATOM 0 HB THR A 22 3.152 4.295 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.761 6.414 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.738 4.912 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.905 3.380 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.405 4.877 -6.001 1.00 0.00 H new ATOM 270 N SER A 23 1.408 3.415 -6.641 1.00 0.00 N ATOM 271 CA SER A 23 1.008 3.503 -8.030 1.00 0.00 C ATOM 272 C SER A 23 -0.382 2.916 -8.258 1.00 0.00 C ATOM 273 O SER A 23 -1.074 3.319 -9.191 1.00 0.00 O ATOM 274 CB SER A 23 2.036 2.729 -8.841 1.00 0.00 C ATOM 275 OG SER A 23 3.206 3.501 -9.008 1.00 0.00 O ATOM 0 H SER A 23 1.993 2.608 -6.425 1.00 0.00 H new ATOM 0 HA SER A 23 0.963 4.549 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.278 1.793 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.621 2.469 -9.815 1.00 0.00 H new ATOM 0 HG SER A 23 3.918 3.145 -8.436 1.00 0.00 H new ATOM 281 N LEU A 24 -0.802 1.966 -7.420 1.00 0.00 N ATOM 282 CA LEU A 24 -2.114 1.343 -7.539 1.00 0.00 C ATOM 283 C LEU A 24 -3.193 2.132 -6.788 1.00 0.00 C ATOM 284 O LEU A 24 -4.383 1.925 -7.025 1.00 0.00 O ATOM 285 CB LEU A 24 -1.989 -0.095 -7.020 1.00 0.00 C ATOM 286 CG LEU A 24 -3.277 -0.910 -7.125 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.769 -1.008 -8.566 1.00 0.00 C ATOM 288 CD2 LEU A 24 -2.992 -2.317 -6.606 1.00 0.00 C ATOM 0 H LEU A 24 -0.242 1.611 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.433 1.338 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.203 -0.604 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.673 -0.067 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.051 -0.415 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.687 -1.595 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.965 -0.008 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.008 -1.491 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.898 -2.919 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.208 -2.775 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.666 -2.263 -5.567 1.00 0.00 H new ATOM 300 N THR A 25 -2.792 3.031 -5.884 1.00 0.00 N ATOM 301 CA THR A 25 -3.724 3.838 -5.105 1.00 0.00 C ATOM 302 C THR A 25 -3.520 5.322 -5.347 1.00 0.00 C ATOM 303 O THR A 25 -4.248 6.144 -4.790 1.00 0.00 O ATOM 304 CB THR A 25 -3.595 3.526 -3.610 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.380 4.053 -3.129 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.594 2.026 -3.347 1.00 0.00 C ATOM 0 H THR A 25 -1.811 3.217 -5.675 1.00 0.00 H new ATOM 0 HA THR A 25 -4.730 3.579 -5.435 1.00 0.00 H new ATOM 0 HB THR A 25 -4.450 3.973 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.632 3.532 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.501 1.844 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.526 1.593 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.754 1.566 -3.867 1.00 0.00 H new ATOM 314 N LYS A 26 -2.532 5.662 -6.183 1.00 0.00 N ATOM 315 CA LYS A 26 -2.367 7.014 -6.688 1.00 0.00 C ATOM 316 C LYS A 26 -2.056 8.019 -5.576 1.00 0.00 C ATOM 317 O LYS A 26 -2.093 9.228 -5.809 1.00 0.00 O ATOM 318 CB LYS A 26 -3.619 7.375 -7.499 1.00 0.00 C ATOM 319 CG LYS A 26 -4.126 6.188 -8.338 1.00 0.00 C ATOM 320 CD LYS A 26 -3.189 5.881 -9.507 1.00 0.00 C ATOM 321 CE LYS A 26 -3.663 4.629 -10.249 1.00 0.00 C ATOM 322 NZ LYS A 26 -4.935 4.865 -10.959 1.00 0.00 N ATOM 0 H LYS A 26 -1.831 5.004 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.496 7.061 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.407 7.703 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.395 8.214 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.217 5.306 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.123 6.411 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.159 6.729 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.174 5.732 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.900 4.318 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.788 3.811 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.156 4.044 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.698 5.004 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.848 5.714 -11.554 1.00 0.00 H new ATOM 336 N CYS A 27 -1.756 7.525 -4.371 1.00 0.00 N ATOM 337 CA CYS A 27 -1.415 8.361 -3.231 1.00 0.00 C ATOM 338 C CYS A 27 0.092 8.626 -3.197 1.00 0.00 C ATOM 339 O CYS A 27 0.800 8.336 -4.160 1.00 0.00 O ATOM 340 CB CYS A 27 -1.897 7.686 -1.943 1.00 0.00 C ATOM 341 SG CYS A 27 -0.902 6.210 -1.597 1.00 0.00 S ATOM 0 H CYS A 27 -1.745 6.526 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.914 9.326 -3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.826 8.385 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.947 7.411 -2.039 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.336 5.216 -2.314 1.00 0.00 H new ATOM 347 N ASP A 28 0.582 9.178 -2.086 1.00 0.00 N ATOM 348 CA ASP A 28 2.002 9.438 -1.900 1.00 0.00 C ATOM 349 C ASP A 28 2.678 8.198 -1.306 1.00 0.00 C ATOM 350 O ASP A 28 2.069 7.508 -0.485 1.00 0.00 O ATOM 351 CB ASP A 28 2.160 10.672 -1.009 1.00 0.00 C ATOM 352 CG ASP A 28 3.623 11.056 -0.827 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.258 10.471 0.079 1.00 0.00 O ATOM 354 OD2 ASP A 28 4.098 11.924 -1.590 1.00 0.00 O ATOM 0 H ASP A 28 0.003 9.455 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 28 2.490 9.643 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.617 11.509 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.712 10.477 -0.035 1.00 0.00 H new ATOM 359 N PRO A 29 3.924 7.886 -1.692 1.00 0.00 N ATOM 360 CA PRO A 29 4.633 6.701 -1.226 1.00 0.00 C ATOM 361 C PRO A 29 4.732 6.603 0.295 1.00 0.00 C ATOM 362 O PRO A 29 4.883 5.504 0.832 1.00 0.00 O ATOM 363 CB PRO A 29 6.028 6.811 -1.851 1.00 0.00 C ATOM 364 CG PRO A 29 5.798 7.639 -3.110 1.00 0.00 C ATOM 365 CD PRO A 29 4.729 8.623 -2.651 1.00 0.00 C ATOM 0 HA PRO A 29 4.096 5.799 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.732 7.297 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.439 5.830 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.706 8.146 -3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.457 7.026 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.176 9.506 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.125 8.969 -3.490 1.00 0.00 H new ATOM 373 N LYS A 30 4.646 7.730 1.007 1.00 0.00 N ATOM 374 CA LYS A 30 4.723 7.725 2.463 1.00 0.00 C ATOM 375 C LYS A 30 3.397 7.294 3.071 1.00 0.00 C ATOM 376 O LYS A 30 3.348 6.882 4.228 1.00 0.00 O ATOM 377 CB LYS A 30 5.116 9.116 2.954 1.00 0.00 C ATOM 378 CG LYS A 30 6.463 9.483 2.337 1.00 0.00 C ATOM 379 CD LYS A 30 7.043 10.752 2.966 1.00 0.00 C ATOM 380 CE LYS A 30 6.126 11.945 2.705 1.00 0.00 C ATOM 381 NZ LYS A 30 6.684 13.181 3.282 1.00 0.00 N ATOM 0 H LYS A 30 4.523 8.655 0.595 1.00 0.00 H new ATOM 0 HA LYS A 30 5.481 7.008 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.358 9.846 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.181 9.130 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.162 8.658 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.344 9.630 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.167 10.609 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.033 10.950 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.987 12.072 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.143 11.752 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.041 13.975 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.794 13.066 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.612 13.376 2.854 1.00 0.00 H new ATOM 395 N VAL A 31 2.319 7.379 2.295 1.00 0.00 N ATOM 396 CA VAL A 31 1.012 6.905 2.734 1.00 0.00 C ATOM 397 C VAL A 31 0.932 5.399 2.502 1.00 0.00 C ATOM 398 O VAL A 31 0.284 4.690 3.268 1.00 0.00 O ATOM 399 CB VAL A 31 -0.110 7.648 1.998 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.472 7.214 2.539 1.00 0.00 C ATOM 401 CG2 VAL A 31 0.035 9.154 2.210 1.00 0.00 C ATOM 0 H VAL A 31 2.327 7.774 1.355 1.00 0.00 H new ATOM 0 HA VAL A 31 0.884 7.107 3.797 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.039 7.411 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.261 7.748 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.597 6.141 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.531 7.443 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.766 9.674 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.024 9.379 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.999 9.485 1.822 1.00 0.00 H new ATOM 411 N SER A 32 1.594 4.902 1.451 1.00 0.00 N ATOM 412 CA SER A 32 1.660 3.466 1.206 1.00 0.00 C ATOM 413 C SER A 32 2.380 2.811 2.375 1.00 0.00 C ATOM 414 O SER A 32 1.934 1.812 2.930 1.00 0.00 O ATOM 415 CB SER A 32 2.418 3.192 -0.095 1.00 0.00 C ATOM 416 OG SER A 32 1.736 3.789 -1.171 1.00 0.00 O ATOM 0 H SER A 32 2.087 5.472 0.764 1.00 0.00 H new ATOM 0 HA SER A 32 0.654 3.057 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.431 3.588 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.506 2.118 -0.258 1.00 0.00 H new ATOM 0 HG SER A 32 1.945 4.746 -1.200 1.00 0.00 H new ATOM 422 N ARG A 33 3.510 3.415 2.735 1.00 0.00 N ATOM 423 CA ARG A 33 4.375 3.021 3.831 1.00 0.00 C ATOM 424 C ARG A 33 3.635 2.998 5.159 1.00 0.00 C ATOM 425 O ARG A 33 3.879 2.099 5.950 1.00 0.00 O ATOM 426 CB ARG A 33 5.500 4.053 3.802 1.00 0.00 C ATOM 427 CG ARG A 33 6.529 3.850 4.907 1.00 0.00 C ATOM 428 CD ARG A 33 7.720 4.782 4.676 1.00 0.00 C ATOM 429 NE ARG A 33 8.817 4.479 5.599 1.00 0.00 N ATOM 430 CZ ARG A 33 9.873 3.722 5.286 1.00 0.00 C ATOM 431 NH1 ARG A 33 10.001 3.201 4.069 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.810 3.478 6.196 1.00 0.00 N ATOM 0 H ARG A 33 3.860 4.235 2.240 1.00 0.00 H new ATOM 0 HA ARG A 33 4.753 2.004 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.001 4.008 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.071 5.051 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.079 4.053 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.863 2.813 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.068 4.683 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.406 5.817 4.808 1.00 0.00 H new ATOM 0 HE ARG A 33 8.772 4.871 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.288 3.377 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.812 2.625 3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.724 3.869 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.616 2.900 5.956 1.00 0.00 H new ATOM 446 N LYS A 34 2.741 3.946 5.428 1.00 0.00 N ATOM 447 CA LYS A 34 2.077 3.965 6.726 1.00 0.00 C ATOM 448 C LYS A 34 0.902 2.990 6.817 1.00 0.00 C ATOM 449 O LYS A 34 0.496 2.654 7.927 1.00 0.00 O ATOM 450 CB LYS A 34 1.595 5.380 7.036 1.00 0.00 C ATOM 451 CG LYS A 34 2.777 6.303 7.345 1.00 0.00 C ATOM 452 CD LYS A 34 2.299 7.723 7.646 1.00 0.00 C ATOM 453 CE LYS A 34 1.539 8.322 6.464 1.00 0.00 C ATOM 454 NZ LYS A 34 1.103 9.700 6.760 1.00 0.00 N ATOM 0 H LYS A 34 2.466 4.689 4.786 1.00 0.00 H new ATOM 0 HA LYS A 34 2.813 3.641 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.034 5.772 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.913 5.358 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.333 5.914 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.462 6.318 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.655 7.712 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.156 8.353 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.176 8.320 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.671 7.704 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.589 10.085 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.477 9.695 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.935 10.293 6.956 1.00 0.00 H new ATOM 468 N TYR A 35 0.348 2.529 5.693 1.00 0.00 N ATOM 469 CA TYR A 35 -0.719 1.532 5.718 1.00 0.00 C ATOM 470 C TYR A 35 -0.123 0.135 5.634 1.00 0.00 C ATOM 471 O TYR A 35 -0.735 -0.838 6.076 1.00 0.00 O ATOM 472 CB TYR A 35 -1.680 1.748 4.544 1.00 0.00 C ATOM 473 CG TYR A 35 -2.745 2.800 4.751 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.403 4.150 4.913 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.094 2.412 4.761 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.406 5.117 5.068 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.103 3.370 4.923 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.760 4.729 5.073 1.00 0.00 C ATOM 479 OH TYR A 35 -5.736 5.669 5.222 1.00 0.00 O ATOM 0 H TYR A 35 0.621 2.831 4.758 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.271 1.638 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.095 2.018 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.170 0.800 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.364 4.446 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.355 1.371 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.141 6.158 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.140 3.069 4.933 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.115 5.888 4.345 1.00 0.00 H new ATOM 489 N LEU A 36 1.077 0.030 5.065 1.00 0.00 N ATOM 490 CA LEU A 36 1.771 -1.241 4.963 1.00 0.00 C ATOM 491 C LEU A 36 2.228 -1.679 6.351 1.00 0.00 C ATOM 492 O LEU A 36 2.201 -2.863 6.668 1.00 0.00 O ATOM 493 CB LEU A 36 2.968 -1.059 4.021 1.00 0.00 C ATOM 494 CG LEU A 36 2.744 -1.557 2.585 1.00 0.00 C ATOM 495 CD1 LEU A 36 1.354 -1.274 2.020 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.768 -0.896 1.668 1.00 0.00 C ATOM 0 H LEU A 36 1.587 0.819 4.667 1.00 0.00 H new ATOM 0 HA LEU A 36 1.114 -2.013 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.227 -0.001 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.826 -1.583 4.442 1.00 0.00 H new ATOM 0 HG LEU A 36 2.851 -2.641 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.289 -1.661 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.602 -1.760 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.177 -0.199 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.618 -1.243 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.645 0.186 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.774 -1.159 1.996 1.00 0.00 H new ATOM 508 N GLN A 37 2.644 -0.729 7.186 1.00 0.00 N ATOM 509 CA GLN A 37 3.129 -1.028 8.525 1.00 0.00 C ATOM 510 C GLN A 37 2.014 -1.551 9.432 1.00 0.00 C ATOM 511 O GLN A 37 2.292 -2.066 10.516 1.00 0.00 O ATOM 512 CB GLN A 37 3.754 0.223 9.101 1.00 0.00 C ATOM 513 CG GLN A 37 4.954 0.542 8.216 1.00 0.00 C ATOM 514 CD GLN A 37 5.608 1.852 8.599 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.484 2.328 9.725 1.00 0.00 O ATOM 516 NE2 GLN A 37 6.316 2.441 7.654 1.00 0.00 N ATOM 0 H GLN A 37 2.653 0.264 6.952 1.00 0.00 H new ATOM 0 HA GLN A 37 3.874 -1.821 8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.042 1.048 9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.063 0.064 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.684 -0.264 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.635 0.587 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.393 2.012 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.786 3.326 7.845 1.00 0.00 H new ATOM 525 N ARG A 38 0.758 -1.421 8.997 1.00 0.00 N ATOM 526 CA ARG A 38 -0.399 -1.886 9.751 1.00 0.00 C ATOM 527 C ARG A 38 -0.807 -3.292 9.333 1.00 0.00 C ATOM 528 O ARG A 38 -1.684 -3.893 9.952 1.00 0.00 O ATOM 529 CB ARG A 38 -1.567 -0.921 9.554 1.00 0.00 C ATOM 530 CG ARG A 38 -1.121 0.508 9.860 1.00 0.00 C ATOM 531 CD ARG A 38 -2.296 1.416 10.227 1.00 0.00 C ATOM 532 NE ARG A 38 -3.254 1.558 9.127 1.00 0.00 N ATOM 533 CZ ARG A 38 -3.993 2.655 8.929 1.00 0.00 C ATOM 534 NH1 ARG A 38 -3.907 3.703 9.741 1.00 0.00 N ATOM 535 NH2 ARG A 38 -4.832 2.712 7.902 1.00 0.00 N ATOM 0 H ARG A 38 0.518 -0.987 8.106 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.126 -1.917 10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.933 -0.985 8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.394 -1.200 10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.404 0.495 10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.604 0.919 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.807 1.010 11.100 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.919 2.400 10.506 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.363 0.779 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.267 3.682 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.481 4.529 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.913 1.920 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.396 3.548 7.750 1.00 0.00 H new ATOM 549 N ASN A 39 -0.173 -3.812 8.283 1.00 0.00 N ATOM 550 CA ASN A 39 -0.515 -5.102 7.703 1.00 0.00 C ATOM 551 C ASN A 39 0.735 -5.936 7.426 1.00 0.00 C ATOM 552 O ASN A 39 0.718 -6.798 6.548 1.00 0.00 O ATOM 553 CB ASN A 39 -1.333 -4.878 6.430 1.00 0.00 C ATOM 554 CG ASN A 39 -2.663 -4.187 6.718 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.680 -4.844 6.917 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.668 -2.856 6.747 1.00 0.00 N ATOM 0 H ASN A 39 0.599 -3.342 7.810 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.116 -5.667 8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.755 -4.275 5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.520 -5.837 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.535 -2.353 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.805 -2.339 6.577 1.00 0.00 H new ATOM 563 N HIS A 40 1.821 -5.683 8.166 1.00 0.00 N ATOM 564 CA HIS A 40 3.096 -6.380 7.989 1.00 0.00 C ATOM 565 C HIS A 40 3.588 -6.301 6.545 1.00 0.00 C ATOM 566 O HIS A 40 4.246 -7.218 6.053 1.00 0.00 O ATOM 567 CB HIS A 40 2.979 -7.825 8.462 1.00 0.00 C ATOM 568 CG HIS A 40 2.276 -7.985 9.782 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.568 -7.282 10.952 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.248 -8.852 10.021 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.702 -7.746 11.868 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.897 -8.686 11.341 1.00 0.00 N ATOM 0 H HIS A 40 1.838 -4.984 8.909 1.00 0.00 H new ATOM 0 HA HIS A 40 3.844 -5.878 8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.445 -8.401 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.979 -8.252 8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.799 -9.533 9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.658 -7.409 12.893 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.157 -9.187 11.833 1.00 0.00 H new ATOM 580 N TRP A 41 3.262 -5.198 5.870 1.00 0.00 N ATOM 581 CA TRP A 41 3.596 -4.948 4.478 1.00 0.00 C ATOM 582 C TRP A 41 3.018 -6.007 3.541 1.00 0.00 C ATOM 583 O TRP A 41 3.615 -6.336 2.517 1.00 0.00 O ATOM 584 CB TRP A 41 5.097 -4.729 4.306 1.00 0.00 C ATOM 585 CG TRP A 41 5.665 -3.565 5.047 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.559 -3.324 6.374 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.439 -2.453 4.506 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.243 -2.175 6.687 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.790 -1.579 5.572 1.00 0.00 C ATOM 590 CE3 TRP A 41 6.850 -2.078 3.218 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.536 -0.413 5.376 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.545 -0.886 3.004 1.00 0.00 C ATOM 593 CH2 TRP A 41 7.925 -0.072 4.074 1.00 0.00 C ATOM 0 H TRP A 41 2.741 -4.432 6.297 1.00 0.00 H new ATOM 0 HA TRP A 41 3.113 -4.018 4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.617 -5.631 4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.309 -4.600 3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.020 -3.940 7.078 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.335 -1.806 7.634 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.625 -2.721 2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.807 0.213 6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.793 -0.589 1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.515 0.815 3.898 1.00 0.00 H new ATOM 604 N ASN A 42 1.845 -6.545 3.892 1.00 0.00 N ATOM 605 CA ASN A 42 1.122 -7.451 3.032 1.00 0.00 C ATOM 606 C ASN A 42 0.306 -6.573 2.104 1.00 0.00 C ATOM 607 O ASN A 42 -0.639 -5.921 2.549 1.00 0.00 O ATOM 608 CB ASN A 42 0.200 -8.345 3.860 1.00 0.00 C ATOM 609 CG ASN A 42 -0.401 -9.437 2.987 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.194 -9.154 2.092 1.00 0.00 O ATOM 611 ND2 ASN A 42 -0.027 -10.687 3.238 1.00 0.00 N ATOM 0 H ASN A 42 1.382 -6.357 4.781 1.00 0.00 H new ATOM 0 HA ASN A 42 1.796 -8.105 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.759 -8.793 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.595 -7.746 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.401 -11.453 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.634 -10.880 3.990 1.00 0.00 H new ATOM 618 N ILE A 43 0.657 -6.542 0.822 1.00 0.00 N ATOM 619 CA ILE A 43 0.042 -5.572 -0.061 1.00 0.00 C ATOM 620 C ILE A 43 -1.432 -5.882 -0.315 1.00 0.00 C ATOM 621 O ILE A 43 -2.166 -5.015 -0.776 1.00 0.00 O ATOM 622 CB ILE A 43 0.861 -5.482 -1.353 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.727 -4.074 -1.935 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.402 -6.548 -2.350 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.530 -3.906 -3.222 1.00 0.00 C ATOM 0 H ILE A 43 1.343 -7.159 0.387 1.00 0.00 H new ATOM 0 HA ILE A 43 0.049 -4.594 0.420 1.00 0.00 H new ATOM 0 HB ILE A 43 1.913 -5.670 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.324 -3.863 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.065 -3.344 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.993 -6.471 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.537 -7.537 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.651 -6.396 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.405 -2.891 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.585 -4.090 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.174 -4.617 -3.968 1.00 0.00 H new ATOM 637 N ASN A 44 -1.888 -7.102 -0.023 1.00 0.00 N ATOM 638 CA ASN A 44 -3.268 -7.473 -0.295 1.00 0.00 C ATOM 639 C ASN A 44 -4.128 -7.041 0.882 1.00 0.00 C ATOM 640 O ASN A 44 -5.223 -6.508 0.715 1.00 0.00 O ATOM 641 CB ASN A 44 -3.353 -8.988 -0.507 1.00 0.00 C ATOM 642 CG ASN A 44 -4.802 -9.434 -0.588 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.290 -10.140 0.290 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.507 -9.027 -1.638 1.00 0.00 N ATOM 0 H ASN A 44 -1.324 -7.840 0.398 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.627 -6.980 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.830 -9.263 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.853 -9.504 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.485 -9.301 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.070 -8.441 -2.349 1.00 0.00 H new ATOM 651 N TYR A 45 -3.607 -7.278 2.082 1.00 0.00 N ATOM 652 CA TYR A 45 -4.267 -6.911 3.317 1.00 0.00 C ATOM 653 C TYR A 45 -4.302 -5.393 3.443 1.00 0.00 C ATOM 654 O TYR A 45 -5.294 -4.822 3.893 1.00 0.00 O ATOM 655 CB TYR A 45 -3.446 -7.475 4.469 1.00 0.00 C ATOM 656 CG TYR A 45 -3.284 -8.978 4.537 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.936 -9.829 3.629 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.456 -9.519 5.532 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.736 -11.216 3.699 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.259 -10.905 5.612 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.899 -11.760 4.692 1.00 0.00 C ATOM 662 OH TYR A 45 -2.699 -13.108 4.769 1.00 0.00 O ATOM 0 H TYR A 45 -2.705 -7.735 2.219 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.285 -7.301 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.452 -7.031 4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.901 -7.143 5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.591 -9.415 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.968 -8.865 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.225 -11.868 2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.618 -11.317 6.377 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.092 -13.307 5.513 1.00 0.00 H new ATOM 672 N ALA A 46 -3.204 -4.747 3.041 1.00 0.00 N ATOM 673 CA ALA A 46 -3.064 -3.308 3.148 1.00 0.00 C ATOM 674 C ALA A 46 -3.917 -2.581 2.109 1.00 0.00 C ATOM 675 O ALA A 46 -4.320 -1.443 2.341 1.00 0.00 O ATOM 676 CB ALA A 46 -1.587 -2.964 2.988 1.00 0.00 C ATOM 0 H ALA A 46 -2.393 -5.214 2.634 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.421 -2.977 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.454 -1.885 3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.012 -3.457 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.238 -3.304 2.013 1.00 0.00 H new ATOM 682 N LEU A 47 -4.206 -3.219 0.968 1.00 0.00 N ATOM 683 CA LEU A 47 -5.063 -2.600 -0.034 1.00 0.00 C ATOM 684 C LEU A 47 -6.508 -2.612 0.452 1.00 0.00 C ATOM 685 O LEU A 47 -7.265 -1.691 0.154 1.00 0.00 O ATOM 686 CB LEU A 47 -4.935 -3.336 -1.371 1.00 0.00 C ATOM 687 CG LEU A 47 -3.701 -2.885 -2.162 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.497 -3.827 -3.346 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.872 -1.464 -2.699 1.00 0.00 C ATOM 0 H LEU A 47 -3.863 -4.148 0.724 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.751 -1.567 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.876 -4.409 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.831 -3.162 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.842 -2.905 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.621 -3.513 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.348 -4.843 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.376 -3.798 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.980 -1.175 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.739 -1.426 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.020 -0.776 -1.867 1.00 0.00 H new ATOM 701 N ASN A 48 -6.896 -3.648 1.202 1.00 0.00 N ATOM 702 CA ASN A 48 -8.233 -3.696 1.774 1.00 0.00 C ATOM 703 C ASN A 48 -8.346 -2.681 2.914 1.00 0.00 C ATOM 704 O ASN A 48 -9.414 -2.113 3.126 1.00 0.00 O ATOM 705 CB ASN A 48 -8.530 -5.116 2.264 1.00 0.00 C ATOM 706 CG ASN A 48 -8.955 -6.020 1.114 1.00 0.00 C ATOM 707 OD1 ASN A 48 -10.144 -6.215 0.881 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.996 -6.583 0.388 1.00 0.00 N ATOM 0 H ASN A 48 -6.308 -4.452 1.422 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.969 -3.434 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.644 -5.529 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.318 -5.086 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.239 -7.198 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.017 -6.401 0.607 1.00 0.00 H new ATOM 715 N ASP A 49 -7.253 -2.445 3.646 1.00 0.00 N ATOM 716 CA ASP A 49 -7.247 -1.484 4.737 1.00 0.00 C ATOM 717 C ASP A 49 -7.351 -0.061 4.195 1.00 0.00 C ATOM 718 O ASP A 49 -8.015 0.783 4.788 1.00 0.00 O ATOM 719 CB ASP A 49 -5.966 -1.673 5.555 1.00 0.00 C ATOM 720 CG ASP A 49 -5.960 -0.781 6.792 1.00 0.00 C ATOM 721 OD1 ASP A 49 -6.758 -1.068 7.711 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.157 0.179 6.811 1.00 0.00 O ATOM 0 H ASP A 49 -6.359 -2.913 3.496 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.110 -1.651 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.875 -2.717 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.099 -1.444 4.935 1.00 0.00 H new ATOM 727 N TYR A 50 -6.702 0.221 3.066 1.00 0.00 N ATOM 728 CA TYR A 50 -6.771 1.529 2.445 1.00 0.00 C ATOM 729 C TYR A 50 -8.119 1.766 1.785 1.00 0.00 C ATOM 730 O TYR A 50 -8.657 2.863 1.897 1.00 0.00 O ATOM 731 CB TYR A 50 -5.613 1.636 1.458 1.00 0.00 C ATOM 732 CG TYR A 50 -5.479 2.989 0.805 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.291 3.304 -0.291 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.549 3.924 1.285 1.00 0.00 C ATOM 735 CE1 TYR A 50 -6.190 4.555 -0.905 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.433 5.181 0.671 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.263 5.503 -0.424 1.00 0.00 C ATOM 738 OH TYR A 50 -5.171 6.726 -1.016 1.00 0.00 O ATOM 0 H TYR A 50 -6.120 -0.450 2.565 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.678 2.310 3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.684 1.403 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.741 0.882 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.998 2.577 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.921 3.676 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.821 4.796 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.712 5.898 1.035 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.673 7.335 -0.432 1.00 0.00 H new ATOM 748 N TYR A 51 -8.674 0.757 1.108 1.00 0.00 N ATOM 749 CA TYR A 51 -10.000 0.870 0.523 1.00 0.00 C ATOM 750 C TYR A 51 -11.064 0.900 1.619 1.00 0.00 C ATOM 751 O TYR A 51 -12.233 1.170 1.343 1.00 0.00 O ATOM 752 CB TYR A 51 -10.238 -0.284 -0.457 1.00 0.00 C ATOM 753 CG TYR A 51 -9.293 -0.331 -1.643 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.602 0.818 -2.061 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.111 -1.545 -2.325 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.741 0.759 -3.167 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.249 -1.610 -3.431 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.564 -0.456 -3.857 1.00 0.00 C ATOM 759 OH TYR A 51 -6.731 -0.518 -4.937 1.00 0.00 O ATOM 0 H TYR A 51 -8.221 -0.144 0.955 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.070 1.806 -0.031 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.158 -1.224 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.260 -0.218 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.734 1.749 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.635 -2.431 -1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.214 1.645 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.111 -2.544 -3.955 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.725 -1.431 -5.293 1.00 0.00 H new ATOM 769 N ASP A 52 -10.664 0.628 2.865 1.00 0.00 N ATOM 770 CA ASP A 52 -11.551 0.719 4.017 1.00 0.00 C ATOM 771 C ASP A 52 -11.496 2.118 4.631 1.00 0.00 C ATOM 772 O ASP A 52 -12.352 2.477 5.436 1.00 0.00 O ATOM 773 CB ASP A 52 -11.111 -0.325 5.042 1.00 0.00 C ATOM 774 CG ASP A 52 -12.005 -0.353 6.278 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.220 -0.613 6.115 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.457 -0.111 7.380 1.00 0.00 O ATOM 0 H ASP A 52 -9.714 0.339 3.098 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.579 0.532 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.114 -1.310 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.085 -0.119 5.346 1.00 0.00 H new ATOM 781 N LYS A 53 -10.487 2.912 4.252 1.00 0.00 N ATOM 782 CA LYS A 53 -10.196 4.193 4.883 1.00 0.00 C ATOM 783 C LYS A 53 -10.584 5.390 4.026 1.00 0.00 C ATOM 784 O LYS A 53 -10.514 6.524 4.496 1.00 0.00 O ATOM 785 CB LYS A 53 -8.710 4.223 5.237 1.00 0.00 C ATOM 786 CG LYS A 53 -8.508 4.344 6.749 1.00 0.00 C ATOM 787 CD LYS A 53 -9.085 3.160 7.528 1.00 0.00 C ATOM 788 CE LYS A 53 -8.106 1.994 7.513 1.00 0.00 C ATOM 789 NZ LYS A 53 -8.720 0.799 8.121 1.00 0.00 N ATOM 0 H LYS A 53 -9.848 2.676 3.493 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.806 4.279 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.228 3.316 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.230 5.062 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.442 4.427 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.975 5.264 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.292 3.458 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.034 2.853 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.807 1.775 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.202 2.263 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.980 0.100 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.208 1.068 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.405 0.385 7.457 1.00 0.00 H new ATOM 803 N GLU A 54 -10.994 5.160 2.777 1.00 0.00 N ATOM 804 CA GLU A 54 -11.436 6.226 1.900 1.00 0.00 C ATOM 805 C GLU A 54 -12.809 6.751 2.316 1.00 0.00 C ATOM 806 O GLU A 54 -13.275 7.753 1.777 1.00 0.00 O ATOM 807 CB GLU A 54 -11.475 5.694 0.469 1.00 0.00 C ATOM 808 CG GLU A 54 -10.158 5.026 0.086 1.00 0.00 C ATOM 809 CD GLU A 54 -10.087 4.786 -1.420 1.00 0.00 C ATOM 810 OE1 GLU A 54 -10.629 3.750 -1.865 1.00 0.00 O ATOM 811 OE2 GLU A 54 -9.492 5.640 -2.114 1.00 0.00 O ATOM 0 H GLU A 54 -11.026 4.232 2.355 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.738 7.060 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.291 4.978 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.683 6.513 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.323 5.653 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.059 4.078 0.615 1.00 0.00 H new ATOM 818 N ILE A 55 -13.456 6.076 3.276 1.00 0.00 N ATOM 819 CA ILE A 55 -14.776 6.434 3.769 1.00 0.00 C ATOM 820 C ILE A 55 -14.833 6.211 5.280 1.00 0.00 C ATOM 821 O ILE A 55 -15.292 7.072 6.026 1.00 0.00 O ATOM 822 CB ILE A 55 -15.841 5.567 3.082 1.00 0.00 C ATOM 823 CG1 ILE A 55 -15.592 5.507 1.572 1.00 0.00 C ATOM 824 CG2 ILE A 55 -17.225 6.141 3.394 1.00 0.00 C ATOM 825 CD1 ILE A 55 -16.684 4.753 0.818 1.00 0.00 C ATOM 0 H ILE A 55 -13.063 5.254 3.734 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.970 7.483 3.547 1.00 0.00 H new ATOM 0 HB ILE A 55 -15.786 4.547 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.522 6.522 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.631 5.026 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -17.989 5.532 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -17.386 6.137 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.287 7.164 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.451 4.745 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.739 3.728 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.643 5.247 0.976 1.00 0.00 H new ATOM 837 N GLY A 56 -14.361 5.043 5.722 1.00 0.00 N ATOM 838 CA GLY A 56 -14.325 4.689 7.130 1.00 0.00 C ATOM 839 C GLY A 56 -13.034 5.173 7.773 1.00 0.00 C ATOM 840 O GLY A 56 -12.087 4.408 7.930 1.00 0.00 O ATOM 0 H GLY A 56 -13.993 4.318 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.180 5.129 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.409 3.608 7.241 1.00 0.00 H new ATOM 844 N THR A 57 -12.999 6.454 8.148 1.00 0.00 N ATOM 845 CA THR A 57 -11.808 7.070 8.725 1.00 0.00 C ATOM 846 C THR A 57 -11.750 6.903 10.242 1.00 0.00 C ATOM 847 O THR A 57 -10.988 7.573 10.938 1.00 0.00 O ATOM 848 CB THR A 57 -11.687 8.522 8.250 1.00 0.00 C ATOM 849 OG1 THR A 57 -10.457 9.082 8.656 1.00 0.00 O ATOM 850 CG2 THR A 57 -12.842 9.355 8.798 1.00 0.00 C ATOM 0 H THR A 57 -13.793 7.088 8.060 1.00 0.00 H new ATOM 0 HA THR A 57 -10.925 6.544 8.361 1.00 0.00 H new ATOM 0 HB THR A 57 -11.728 8.527 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.169 8.666 9.495 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.744 10.384 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.787 8.943 8.445 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.821 9.334 9.888 1.00 0.00 H new ATOM 858 N PHE A 58 -12.573 5.992 10.756 1.00 0.00 N ATOM 859 CA PHE A 58 -12.626 5.677 12.170 1.00 0.00 C ATOM 860 C PHE A 58 -11.508 4.716 12.551 1.00 0.00 C ATOM 861 O PHE A 58 -10.889 4.854 13.604 1.00 0.00 O ATOM 862 CB PHE A 58 -13.972 5.034 12.497 1.00 0.00 C ATOM 863 CG PHE A 58 -14.997 4.974 11.385 1.00 0.00 C ATOM 864 CD1 PHE A 58 -15.914 6.021 11.216 1.00 0.00 C ATOM 865 CD2 PHE A 58 -15.048 3.859 10.534 1.00 0.00 C ATOM 866 CE1 PHE A 58 -16.895 5.944 10.219 1.00 0.00 C ATOM 867 CE2 PHE A 58 -16.039 3.775 9.545 1.00 0.00 C ATOM 868 CZ PHE A 58 -16.966 4.817 9.388 1.00 0.00 C ATOM 0 H PHE A 58 -13.226 5.449 10.191 1.00 0.00 H new ATOM 0 HA PHE A 58 -12.504 6.601 12.735 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -13.786 4.016 12.840 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -14.412 5.577 13.333 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.864 6.889 11.856 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -14.324 3.065 10.641 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -17.598 6.754 10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -16.089 2.908 8.904 1.00 0.00 H new ATOM 0 HZ PHE A 58 -17.732 4.751 8.629 1.00 0.00 H new ATOM 878 N THR A 59 -11.258 3.735 11.681 1.00 0.00 N ATOM 879 CA THR A 59 -10.263 2.699 11.890 1.00 0.00 C ATOM 880 C THR A 59 -8.891 3.139 11.394 1.00 0.00 C ATOM 881 O THR A 59 -8.117 2.337 10.873 1.00 0.00 O ATOM 882 CB THR A 59 -10.730 1.402 11.231 1.00 0.00 C ATOM 883 OG1 THR A 59 -11.008 1.639 9.869 1.00 0.00 O ATOM 884 CG2 THR A 59 -11.991 0.875 11.915 1.00 0.00 C ATOM 0 H THR A 59 -11.756 3.643 10.795 1.00 0.00 H new ATOM 0 HA THR A 59 -10.155 2.517 12.959 1.00 0.00 H new ATOM 0 HB THR A 59 -9.938 0.659 11.327 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.109 0.783 9.402 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.308 -0.049 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.780 0.681 12.967 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.785 1.617 11.835 1.00 0.00 H new ATOM 892 N ASP A 60 -8.597 4.430 11.558 1.00 0.00 N ATOM 893 CA ASP A 60 -7.362 5.049 11.095 1.00 0.00 C ATOM 894 C ASP A 60 -6.588 5.676 12.242 1.00 0.00 C ATOM 895 O ASP A 60 -5.636 6.427 12.045 1.00 0.00 O ATOM 896 CB ASP A 60 -7.697 6.065 10.011 1.00 0.00 C ATOM 897 CG ASP A 60 -6.474 6.443 9.182 1.00 0.00 C ATOM 898 OD1 ASP A 60 -5.734 5.512 8.786 1.00 0.00 O ATOM 899 OD2 ASP A 60 -6.284 7.660 8.948 1.00 0.00 O ATOM 0 H ASP A 60 -9.225 5.084 12.026 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.710 4.284 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.466 5.656 9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.114 6.961 10.471 1.00 0.00 H new ATOM 904 N GLU A 61 -7.027 5.346 13.451 1.00 0.00 N ATOM 905 CA GLU A 61 -6.414 5.819 14.680 1.00 0.00 C ATOM 906 C GLU A 61 -5.227 4.952 15.101 1.00 0.00 C ATOM 907 O GLU A 61 -4.870 4.893 16.279 1.00 0.00 O ATOM 908 CB GLU A 61 -7.469 5.967 15.779 1.00 0.00 C ATOM 909 CG GLU A 61 -8.086 4.636 16.167 1.00 0.00 C ATOM 910 CD GLU A 61 -9.039 4.797 17.349 1.00 0.00 C ATOM 911 OE1 GLU A 61 -10.155 5.318 17.130 1.00 0.00 O ATOM 912 OE2 GLU A 61 -8.646 4.396 18.466 1.00 0.00 O ATOM 0 H GLU A 61 -7.829 4.735 13.604 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.997 6.809 14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.014 6.424 16.658 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.253 6.643 15.438 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.624 4.219 15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.299 3.928 16.424 1.00 0.00 H new ATOM 919 N VAL A 62 -4.622 4.280 14.119 1.00 0.00 N ATOM 920 CA VAL A 62 -3.490 3.381 14.310 1.00 0.00 C ATOM 921 C VAL A 62 -2.345 3.809 13.404 1.00 0.00 C ATOM 922 O VAL A 62 -1.232 4.014 13.939 1.00 0.00 O ATOM 923 CB VAL A 62 -3.918 1.940 14.025 1.00 0.00 C ATOM 924 CG1 VAL A 62 -2.736 0.990 14.233 1.00 0.00 C ATOM 925 CG2 VAL A 62 -5.049 1.517 14.965 1.00 0.00 C ATOM 0 H VAL A 62 -4.916 4.350 13.145 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.146 3.431 15.343 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.263 1.891 12.992 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.051 -0.033 14.028 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.926 1.263 13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.388 1.063 15.263 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.339 0.489 14.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.708 1.586 15.998 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.907 2.174 14.821 1.00 0.00 H new TER 935 VAL A 62