USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -4.59! C(o=-9!,f=-17!) USER MOD Set 1.2: A 60 TYR OH : rot 25:sc= -4.4! USER MOD Set 2.1: A 8 TYR OH : rot -14:sc= 0.591 USER MOD Set 2.2: A 40 TYR OH : rot 0:sc= 0.438 USER MOD Set 3.1: A 7 SER OG : rot -160:sc= 0.0836 USER MOD Set 3.2: A 94 LYS NZ :NH3+ -174:sc= 0.0785 (180deg=0) USER MOD Set 4.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 14 GLN :FLIP amide:sc= -0.561 F(o=-1.5,f=-0.78) USER MOD Set 4.3: A 37 TYR OH : rot 164:sc= -0.223! USER MOD Set 5.1: A 1 GLU N :NH3+ 159:sc= -0.55 (180deg=-1.23) USER MOD Set 5.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -6.92! C(o=-6.9!,f=-16!) USER MOD Single : A 17 SER OG : rot 81:sc= -4.25! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -47:sc= 0.642 USER MOD Single : A 30 TYR OH : rot -140:sc= -1.63 USER MOD Single : A 32 HIS : no HD1:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 34 THR OG1 : rot -81:sc= -3.25! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.47! C(o=-7.5!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.023) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS :FLIP no HE2:sc= -0.52 F(o=-1.5,f=-0.52) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.84! C(o=-8.9!,f=-4.8!) USER MOD Single : A 56 SER OG : rot 148:sc= -0.619 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 68 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -179:sc= -1.62! USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= -0.404 (180deg=-1.58!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.095 11.570 -2.300 1.00 0.00 N ATOM 2 CA GLU A 1 17.558 10.246 -1.877 1.00 0.00 C ATOM 3 C GLU A 1 16.100 10.123 -2.324 1.00 0.00 C ATOM 4 O GLU A 1 15.214 9.885 -1.528 1.00 0.00 O ATOM 5 CB GLU A 1 17.637 10.125 -0.353 1.00 0.00 C ATOM 6 CG GLU A 1 17.170 11.434 0.287 1.00 0.00 C ATOM 7 CD GLU A 1 18.387 12.253 0.722 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.167 11.746 1.511 1.00 0.00 O ATOM 9 OE2 GLU A 1 18.518 13.374 0.260 1.00 0.00 O ATOM 0 H1 GLU A 1 18.923 11.810 -1.719 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.374 11.528 -3.301 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.362 12.298 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 1 18.148 9.451 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.015 9.298 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.659 9.903 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 1 16.570 12.004 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 1 16.534 11.224 1.147 1.00 0.00 H new ATOM 18 N SER A 2 15.846 10.285 -3.592 1.00 0.00 N ATOM 19 CA SER A 2 14.448 10.180 -4.093 1.00 0.00 C ATOM 20 C SER A 2 14.449 9.470 -5.449 1.00 0.00 C ATOM 21 O SER A 2 14.656 10.082 -6.478 1.00 0.00 O ATOM 22 CB SER A 2 13.857 11.583 -4.251 1.00 0.00 C ATOM 23 OG SER A 2 14.874 12.549 -4.018 1.00 0.00 O ATOM 0 H SER A 2 16.548 10.486 -4.304 1.00 0.00 H new ATOM 0 HA SER A 2 13.846 9.611 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.445 11.706 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.036 11.726 -3.549 1.00 0.00 H new ATOM 0 HG SER A 2 14.500 13.449 -4.120 1.00 0.00 H new ATOM 29 N LYS A 3 14.222 8.185 -5.460 1.00 0.00 N ATOM 30 CA LYS A 3 14.215 7.444 -6.754 1.00 0.00 C ATOM 31 C LYS A 3 12.773 7.110 -7.139 1.00 0.00 C ATOM 32 O LYS A 3 12.139 6.319 -6.475 1.00 0.00 O ATOM 33 CB LYS A 3 14.988 6.129 -6.611 1.00 0.00 C ATOM 34 CG LYS A 3 16.182 6.307 -5.669 1.00 0.00 C ATOM 35 CD LYS A 3 17.418 6.692 -6.487 1.00 0.00 C ATOM 36 CE LYS A 3 18.683 6.237 -5.757 1.00 0.00 C ATOM 37 NZ LYS A 3 18.935 7.138 -4.597 1.00 0.00 N ATOM 0 H LYS A 3 14.042 7.617 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 3 14.681 8.067 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.327 5.352 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.336 5.797 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.965 7.079 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.368 5.384 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.371 6.231 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.443 7.771 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.569 5.208 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.535 6.254 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.795 6.831 -4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.061 8.113 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.125 7.100 -3.945 1.00 0.00 H new ATOM 51 N PRO A 4 12.302 7.705 -8.206 1.00 0.00 N ATOM 52 CA PRO A 4 10.935 7.465 -8.703 1.00 0.00 C ATOM 53 C PRO A 4 10.884 6.134 -9.466 1.00 0.00 C ATOM 54 O PRO A 4 11.433 6.024 -10.544 1.00 0.00 O ATOM 55 CB PRO A 4 10.686 8.644 -9.649 1.00 0.00 C ATOM 56 CG PRO A 4 12.079 9.161 -10.078 1.00 0.00 C ATOM 57 CD PRO A 4 13.077 8.671 -9.011 1.00 0.00 C ATOM 0 HA PRO A 4 10.189 7.398 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.104 8.330 -10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.117 9.429 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.347 8.780 -11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.085 10.249 -10.144 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.948 8.201 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.443 9.496 -8.400 1.00 0.00 H new ATOM 65 N PRO A 5 10.228 5.160 -8.885 1.00 0.00 N ATOM 66 CA PRO A 5 10.095 3.825 -9.491 1.00 0.00 C ATOM 67 C PRO A 5 8.985 3.852 -10.539 1.00 0.00 C ATOM 68 O PRO A 5 9.231 3.851 -11.729 1.00 0.00 O ATOM 69 CB PRO A 5 9.707 2.933 -8.309 1.00 0.00 C ATOM 70 CG PRO A 5 9.082 3.867 -7.245 1.00 0.00 C ATOM 71 CD PRO A 5 9.554 5.295 -7.576 1.00 0.00 C ATOM 0 HA PRO A 5 10.997 3.479 -9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.997 2.166 -8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.580 2.417 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.994 3.804 -7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.398 3.578 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.715 5.989 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.235 5.676 -6.815 1.00 0.00 H new ATOM 79 N TYR A 6 7.763 3.901 -10.095 1.00 0.00 N ATOM 80 CA TYR A 6 6.617 3.957 -11.039 1.00 0.00 C ATOM 81 C TYR A 6 5.670 5.050 -10.565 1.00 0.00 C ATOM 82 O TYR A 6 5.544 5.294 -9.382 1.00 0.00 O ATOM 83 CB TYR A 6 5.882 2.616 -11.054 1.00 0.00 C ATOM 84 CG TYR A 6 6.801 1.537 -11.567 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.682 1.808 -12.620 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.770 0.265 -10.985 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.534 0.802 -13.092 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.622 -0.737 -11.456 1.00 0.00 C ATOM 89 CZ TYR A 6 8.505 -0.471 -12.509 1.00 0.00 C ATOM 90 OH TYR A 6 9.343 -1.462 -12.974 1.00 0.00 O ATOM 0 H TYR A 6 7.507 3.905 -9.108 1.00 0.00 H new ATOM 0 HA TYR A 6 6.974 4.168 -12.047 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.539 2.367 -10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.996 2.683 -11.686 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.705 2.791 -13.068 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.089 0.058 -10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.214 1.008 -13.906 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.599 -1.719 -11.007 1.00 0.00 H new ATOM 0 HH TYR A 6 9.196 -2.283 -12.459 1.00 0.00 H new ATOM 100 N SER A 7 4.998 5.716 -11.461 1.00 0.00 N ATOM 101 CA SER A 7 4.068 6.784 -11.012 1.00 0.00 C ATOM 102 C SER A 7 3.204 6.206 -9.895 1.00 0.00 C ATOM 103 O SER A 7 2.742 5.088 -9.985 1.00 0.00 O ATOM 104 CB SER A 7 3.177 7.221 -12.178 1.00 0.00 C ATOM 105 OG SER A 7 3.808 8.282 -12.889 1.00 0.00 O ATOM 0 H SER A 7 5.051 5.570 -12.469 1.00 0.00 H new ATOM 0 HA SER A 7 4.625 7.651 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.996 6.379 -12.846 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.206 7.547 -11.805 1.00 0.00 H new ATOM 0 HG SER A 7 3.138 8.768 -13.413 1.00 0.00 H new ATOM 111 N TYR A 8 3.002 6.937 -8.832 1.00 0.00 N ATOM 112 CA TYR A 8 2.183 6.394 -7.714 1.00 0.00 C ATOM 113 C TYR A 8 0.752 6.162 -8.204 1.00 0.00 C ATOM 114 O TYR A 8 -0.167 6.893 -7.893 1.00 0.00 O ATOM 115 CB TYR A 8 2.217 7.369 -6.543 1.00 0.00 C ATOM 116 CG TYR A 8 3.661 7.642 -6.193 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.577 6.583 -6.146 1.00 0.00 C ATOM 118 CD2 TYR A 8 4.085 8.946 -5.918 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.918 6.830 -5.829 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.426 9.193 -5.599 1.00 0.00 C ATOM 121 CZ TYR A 8 6.342 8.135 -5.554 1.00 0.00 C ATOM 122 OH TYR A 8 7.665 8.380 -5.241 1.00 0.00 O ATOM 0 H TYR A 8 3.366 7.879 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 8 2.588 5.441 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.709 8.296 -6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.691 6.950 -5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.248 5.576 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.379 9.762 -5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.625 6.014 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.754 10.200 -5.388 1.00 0.00 H new ATOM 0 HH TYR A 8 8.115 7.534 -5.035 1.00 0.00 H new ATOM 132 N ALA A 9 0.589 5.132 -8.983 1.00 0.00 N ATOM 133 CA ALA A 9 -0.734 4.769 -9.553 1.00 0.00 C ATOM 134 C ALA A 9 -0.503 3.526 -10.412 1.00 0.00 C ATOM 135 O ALA A 9 -1.283 2.593 -10.419 1.00 0.00 O ATOM 136 CB ALA A 9 -1.260 5.915 -10.419 1.00 0.00 C ATOM 0 H ALA A 9 1.346 4.506 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.468 4.579 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.230 5.642 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.365 6.813 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.560 6.108 -11.232 1.00 0.00 H new ATOM 142 N GLN A 10 0.609 3.506 -11.097 1.00 0.00 N ATOM 143 CA GLN A 10 0.985 2.334 -11.929 1.00 0.00 C ATOM 144 C GLN A 10 1.807 1.408 -11.043 1.00 0.00 C ATOM 145 O GLN A 10 1.751 0.198 -11.146 1.00 0.00 O ATOM 146 CB GLN A 10 1.843 2.797 -13.108 1.00 0.00 C ATOM 147 CG GLN A 10 2.416 1.579 -13.827 1.00 0.00 C ATOM 148 CD GLN A 10 3.926 1.751 -13.996 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.378 2.743 -14.532 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.732 0.823 -13.556 1.00 0.00 N ATOM 0 H GLN A 10 1.284 4.270 -11.113 1.00 0.00 H new ATOM 0 HA GLN A 10 0.100 1.829 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.243 3.391 -13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.651 3.438 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.204 0.674 -13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.941 1.462 -14.801 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.353 -0.010 -13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.741 0.931 -13.662 1.00 0.00 H new ATOM 159 N LEU A 11 2.556 1.993 -10.147 1.00 0.00 N ATOM 160 CA LEU A 11 3.381 1.200 -9.202 1.00 0.00 C ATOM 161 C LEU A 11 2.463 0.217 -8.496 1.00 0.00 C ATOM 162 O LEU A 11 2.811 -0.912 -8.212 1.00 0.00 O ATOM 163 CB LEU A 11 3.969 2.160 -8.172 1.00 0.00 C ATOM 164 CG LEU A 11 4.894 1.408 -7.229 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.317 1.477 -7.769 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.837 2.067 -5.853 1.00 0.00 C ATOM 0 H LEU A 11 2.629 3.004 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 11 4.179 0.668 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.518 2.955 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.167 2.635 -7.606 1.00 0.00 H new ATOM 0 HG LEU A 11 4.585 0.366 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.987 0.940 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.353 1.022 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.630 2.519 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.497 1.536 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.157 3.106 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.816 2.031 -5.474 1.00 0.00 H new ATOM 178 N ILE A 12 1.281 0.670 -8.222 1.00 0.00 N ATOM 179 CA ILE A 12 0.266 -0.174 -7.535 1.00 0.00 C ATOM 180 C ILE A 12 -0.181 -1.304 -8.462 1.00 0.00 C ATOM 181 O ILE A 12 -0.200 -2.462 -8.094 1.00 0.00 O ATOM 182 CB ILE A 12 -0.946 0.686 -7.213 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.527 2.122 -6.856 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.701 0.069 -6.050 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.639 2.107 -5.867 1.00 0.00 C ATOM 0 H ILE A 12 0.964 1.612 -8.449 1.00 0.00 H new ATOM 0 HA ILE A 12 0.699 -0.592 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.587 0.729 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.239 2.659 -7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.372 2.657 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.571 0.682 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.027 -0.936 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.048 0.017 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.924 3.131 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.337 1.589 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.488 1.590 -6.314 1.00 0.00 H new ATOM 197 N VAL A 13 -0.565 -0.961 -9.655 1.00 0.00 N ATOM 198 CA VAL A 13 -1.044 -1.983 -10.622 1.00 0.00 C ATOM 199 C VAL A 13 -0.065 -3.153 -10.685 1.00 0.00 C ATOM 200 O VAL A 13 -0.400 -4.264 -10.329 1.00 0.00 O ATOM 201 CB VAL A 13 -1.125 -1.338 -11.998 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.605 -2.373 -13.014 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.096 -0.158 -11.937 1.00 0.00 C ATOM 0 H VAL A 13 -0.568 -0.004 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.019 -2.353 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.143 -0.977 -12.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.664 -1.914 -14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.904 -3.207 -13.043 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.590 -2.738 -12.724 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.161 0.311 -12.919 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.082 -0.513 -11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.738 0.571 -11.210 1.00 0.00 H new ATOM 213 N GLN A 14 1.136 -2.929 -11.130 1.00 0.00 N ATOM 214 CA GLN A 14 2.100 -4.058 -11.198 1.00 0.00 C ATOM 215 C GLN A 14 2.205 -4.680 -9.809 1.00 0.00 C ATOM 216 O GLN A 14 2.513 -5.845 -9.655 1.00 0.00 O ATOM 217 CB GLN A 14 3.470 -3.547 -11.636 1.00 0.00 C ATOM 218 CG GLN A 14 4.371 -4.736 -11.964 1.00 0.00 C ATOM 219 CD GLN A 14 5.811 -4.251 -12.117 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.033 -3.002 -12.413 1.00 0.00 O flip ATOM 221 NE2 GLN A 14 6.742 -5.015 -11.965 1.00 0.00 N flip ATOM 0 H GLN A 14 1.489 -2.026 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 14 1.757 -4.799 -11.920 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.368 -2.902 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.916 -2.945 -10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.309 -5.483 -11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.037 -5.217 -12.884 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.567 -5.993 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.700 -4.679 -12.069 1.00 0.00 H new ATOM 230 N ALA A 15 1.931 -3.909 -8.796 1.00 0.00 N ATOM 231 CA ALA A 15 1.992 -4.442 -7.412 1.00 0.00 C ATOM 232 C ALA A 15 0.844 -5.432 -7.206 1.00 0.00 C ATOM 233 O ALA A 15 1.035 -6.547 -6.764 1.00 0.00 O ATOM 234 CB ALA A 15 1.841 -3.284 -6.423 1.00 0.00 C ATOM 0 H ALA A 15 1.666 -2.927 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 15 2.946 -4.944 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.885 -3.668 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.648 -2.567 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.882 -2.791 -6.584 1.00 0.00 H new ATOM 240 N ILE A 16 -0.349 -5.018 -7.523 1.00 0.00 N ATOM 241 CA ILE A 16 -1.534 -5.916 -7.348 1.00 0.00 C ATOM 242 C ILE A 16 -1.742 -6.763 -8.607 1.00 0.00 C ATOM 243 O ILE A 16 -1.843 -7.972 -8.544 1.00 0.00 O ATOM 244 CB ILE A 16 -2.807 -5.093 -7.060 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.498 -3.587 -7.080 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.340 -5.476 -5.680 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.580 -2.808 -6.332 1.00 0.00 C ATOM 0 H ILE A 16 -0.560 -4.093 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.343 -6.571 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.548 -5.307 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.526 -3.403 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.436 -3.236 -8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.240 -4.900 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.577 -6.540 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.583 -5.261 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.345 -1.744 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.546 -2.977 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.622 -3.147 -5.297 1.00 0.00 H new ATOM 259 N SER A 17 -1.821 -6.135 -9.750 1.00 0.00 N ATOM 260 CA SER A 17 -2.038 -6.898 -11.014 1.00 0.00 C ATOM 261 C SER A 17 -0.946 -7.954 -11.187 1.00 0.00 C ATOM 262 O SER A 17 -1.215 -9.087 -11.532 1.00 0.00 O ATOM 263 CB SER A 17 -1.995 -5.935 -12.202 1.00 0.00 C ATOM 264 OG SER A 17 -3.129 -5.081 -12.157 1.00 0.00 O ATOM 0 H SER A 17 -1.744 -5.124 -9.863 1.00 0.00 H new ATOM 0 HA SER A 17 -3.009 -7.390 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.079 -5.344 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.984 -6.494 -13.138 1.00 0.00 H new ATOM 0 HG SER A 17 -2.964 -4.352 -11.523 1.00 0.00 H new ATOM 270 N SER A 18 0.287 -7.592 -10.965 1.00 0.00 N ATOM 271 CA SER A 18 1.391 -8.577 -11.136 1.00 0.00 C ATOM 272 C SER A 18 1.463 -9.507 -9.924 1.00 0.00 C ATOM 273 O SER A 18 2.353 -10.327 -9.819 1.00 0.00 O ATOM 274 CB SER A 18 2.721 -7.838 -11.285 1.00 0.00 C ATOM 275 OG SER A 18 3.574 -8.581 -12.144 1.00 0.00 O ATOM 0 H SER A 18 0.577 -6.659 -10.673 1.00 0.00 H new ATOM 0 HA SER A 18 1.197 -9.169 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.553 -6.841 -11.693 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.190 -7.709 -10.310 1.00 0.00 H new ATOM 0 HG SER A 18 4.428 -8.110 -12.244 1.00 0.00 H new ATOM 281 N ALA A 19 0.541 -9.400 -9.005 1.00 0.00 N ATOM 282 CA ALA A 19 0.589 -10.299 -7.818 1.00 0.00 C ATOM 283 C ALA A 19 -0.557 -11.305 -7.903 1.00 0.00 C ATOM 284 O ALA A 19 -1.676 -10.948 -8.213 1.00 0.00 O ATOM 285 CB ALA A 19 0.445 -9.468 -6.541 1.00 0.00 C ATOM 0 H ALA A 19 -0.234 -8.737 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 19 1.541 -10.829 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.480 -10.126 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.260 -8.746 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.508 -8.939 -6.557 1.00 0.00 H new ATOM 291 N GLN A 20 -0.296 -12.559 -7.626 1.00 0.00 N ATOM 292 CA GLN A 20 -1.386 -13.573 -7.686 1.00 0.00 C ATOM 293 C GLN A 20 -2.631 -12.984 -7.027 1.00 0.00 C ATOM 294 O GLN A 20 -3.748 -13.258 -7.417 1.00 0.00 O ATOM 295 CB GLN A 20 -0.953 -14.837 -6.939 1.00 0.00 C ATOM 296 CG GLN A 20 -1.852 -16.008 -7.344 1.00 0.00 C ATOM 297 CD GLN A 20 -1.030 -17.041 -8.117 1.00 0.00 C ATOM 298 OE1 GLN A 20 -0.033 -17.532 -7.626 1.00 0.00 O ATOM 299 NE2 GLN A 20 -1.409 -17.394 -9.315 1.00 0.00 N ATOM 0 H GLN A 20 0.621 -12.920 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.601 -13.833 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.087 -15.068 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.014 -14.674 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.291 -16.467 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.677 -15.650 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.246 -16.982 -9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.868 -18.082 -9.839 1.00 0.00 H new ATOM 308 N ASP A 21 -2.435 -12.161 -6.034 1.00 0.00 N ATOM 309 CA ASP A 21 -3.589 -11.528 -5.345 1.00 0.00 C ATOM 310 C ASP A 21 -3.916 -10.191 -6.020 1.00 0.00 C ATOM 311 O ASP A 21 -3.252 -9.197 -5.799 1.00 0.00 O ATOM 312 CB ASP A 21 -3.231 -11.281 -3.878 1.00 0.00 C ATOM 313 CG ASP A 21 -3.721 -12.454 -3.029 1.00 0.00 C ATOM 314 OD1 ASP A 21 -3.136 -13.520 -3.134 1.00 0.00 O ATOM 315 OD2 ASP A 21 -4.672 -12.267 -2.288 1.00 0.00 O ATOM 0 H ASP A 21 -1.519 -11.900 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.455 -12.188 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.152 -11.166 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.687 -10.353 -3.533 1.00 0.00 H new ATOM 320 N ARG A 22 -4.939 -10.149 -6.834 1.00 0.00 N ATOM 321 CA ARG A 22 -5.307 -8.870 -7.508 1.00 0.00 C ATOM 322 C ARG A 22 -5.613 -7.811 -6.443 1.00 0.00 C ATOM 323 O ARG A 22 -5.693 -6.628 -6.727 1.00 0.00 O ATOM 324 CB ARG A 22 -6.545 -9.093 -8.379 1.00 0.00 C ATOM 325 CG ARG A 22 -6.215 -10.095 -9.487 1.00 0.00 C ATOM 326 CD ARG A 22 -7.393 -11.053 -9.680 1.00 0.00 C ATOM 327 NE ARG A 22 -7.253 -11.758 -10.984 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.451 -13.047 -11.055 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.483 -13.873 -10.763 1.00 0.00 N ATOM 330 NH2 ARG A 22 -8.617 -13.511 -11.414 1.00 0.00 N ATOM 0 H ARG A 22 -5.535 -10.945 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.481 -8.532 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.369 -9.466 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.872 -8.148 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.006 -9.568 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.316 -10.655 -9.229 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.424 -11.776 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.332 -10.501 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.002 -11.234 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.572 -13.512 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.637 -14.880 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.375 -12.867 -11.640 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.770 -14.518 -11.469 1.00 0.00 H new ATOM 344 N GLN A 23 -5.777 -8.228 -5.215 1.00 0.00 N ATOM 345 CA GLN A 23 -6.063 -7.262 -4.122 1.00 0.00 C ATOM 346 C GLN A 23 -4.844 -7.190 -3.200 1.00 0.00 C ATOM 347 O GLN A 23 -4.194 -8.183 -2.944 1.00 0.00 O ATOM 348 CB GLN A 23 -7.274 -7.744 -3.321 1.00 0.00 C ATOM 349 CG GLN A 23 -6.927 -9.058 -2.619 1.00 0.00 C ATOM 350 CD GLN A 23 -8.076 -10.051 -2.796 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.087 -9.955 -2.127 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.966 -11.010 -3.675 1.00 0.00 N ATOM 0 H GLN A 23 -5.724 -9.204 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.275 -6.278 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.562 -6.991 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.128 -7.887 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.008 -9.472 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.747 -8.880 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.119 -11.092 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.727 -11.677 -3.800 1.00 0.00 H new ATOM 361 N LEU A 24 -4.525 -6.030 -2.697 1.00 0.00 N ATOM 362 CA LEU A 24 -3.349 -5.917 -1.800 1.00 0.00 C ATOM 363 C LEU A 24 -3.718 -5.103 -0.564 1.00 0.00 C ATOM 364 O LEU A 24 -4.524 -4.194 -0.622 1.00 0.00 O ATOM 365 CB LEU A 24 -2.212 -5.209 -2.536 1.00 0.00 C ATOM 366 CG LEU A 24 -1.443 -6.220 -3.388 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.315 -5.504 -4.133 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.849 -7.301 -2.484 1.00 0.00 C ATOM 0 H LEU A 24 -5.028 -5.160 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.033 -6.916 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.613 -4.416 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.540 -4.737 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.121 -6.679 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.234 -6.224 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.737 -4.732 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.363 -5.045 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.301 -8.022 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.171 -6.842 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.651 -7.811 -1.951 1.00 0.00 H new ATOM 380 N THR A 25 -3.115 -5.404 0.549 1.00 0.00 N ATOM 381 CA THR A 25 -3.409 -4.627 1.778 1.00 0.00 C ATOM 382 C THR A 25 -2.613 -3.328 1.707 1.00 0.00 C ATOM 383 O THR A 25 -1.726 -3.186 0.889 1.00 0.00 O ATOM 384 CB THR A 25 -2.984 -5.428 3.011 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.579 -5.313 3.184 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.357 -6.898 2.819 1.00 0.00 C ATOM 0 H THR A 25 -2.432 -6.154 0.659 1.00 0.00 H new ATOM 0 HA THR A 25 -4.476 -4.418 1.852 1.00 0.00 H new ATOM 0 HB THR A 25 -3.493 -5.039 3.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.304 -5.824 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.054 -7.468 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.435 -6.985 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.848 -7.291 1.939 1.00 0.00 H new ATOM 394 N LEU A 26 -2.910 -2.377 2.538 1.00 0.00 N ATOM 395 CA LEU A 26 -2.142 -1.102 2.472 1.00 0.00 C ATOM 396 C LEU A 26 -0.648 -1.429 2.481 1.00 0.00 C ATOM 397 O LEU A 26 0.139 -0.808 1.797 1.00 0.00 O ATOM 398 CB LEU A 26 -2.478 -0.202 3.667 1.00 0.00 C ATOM 399 CG LEU A 26 -2.929 1.161 3.149 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.768 1.863 4.215 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.696 2.009 2.827 1.00 0.00 C ATOM 0 H LEU A 26 -3.638 -2.420 3.251 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.409 -0.571 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.265 -0.655 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.606 -0.090 4.312 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.530 1.030 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.089 2.836 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.643 1.256 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.171 1.998 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.012 2.984 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.099 2.140 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.098 1.508 2.066 1.00 0.00 H new ATOM 413 N SER A 27 -0.253 -2.406 3.251 1.00 0.00 N ATOM 414 CA SER A 27 1.189 -2.783 3.306 1.00 0.00 C ATOM 415 C SER A 27 1.441 -4.005 2.421 1.00 0.00 C ATOM 416 O SER A 27 2.311 -4.809 2.694 1.00 0.00 O ATOM 417 CB SER A 27 1.561 -3.122 4.743 1.00 0.00 C ATOM 418 OG SER A 27 2.968 -3.307 4.833 1.00 0.00 O ATOM 0 H SER A 27 -0.868 -2.961 3.846 1.00 0.00 H new ATOM 0 HA SER A 27 1.794 -1.949 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.244 -2.321 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.043 -4.026 5.061 1.00 0.00 H new ATOM 0 HG SER A 27 3.268 -3.892 4.107 1.00 0.00 H new ATOM 424 N GLY A 28 0.698 -4.152 1.365 1.00 0.00 N ATOM 425 CA GLY A 28 0.909 -5.325 0.467 1.00 0.00 C ATOM 426 C GLY A 28 1.723 -4.868 -0.736 1.00 0.00 C ATOM 427 O GLY A 28 2.722 -5.456 -1.102 1.00 0.00 O ATOM 0 H GLY A 28 -0.046 -3.514 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.431 -6.121 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.049 -5.733 0.144 1.00 0.00 H new ATOM 431 N ILE A 29 1.288 -3.805 -1.338 1.00 0.00 N ATOM 432 CA ILE A 29 1.989 -3.245 -2.516 1.00 0.00 C ATOM 433 C ILE A 29 3.440 -2.983 -2.163 1.00 0.00 C ATOM 434 O ILE A 29 4.334 -3.092 -2.978 1.00 0.00 O ATOM 435 CB ILE A 29 1.313 -1.932 -2.867 1.00 0.00 C ATOM 436 CG1 ILE A 29 2.200 -1.121 -3.807 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.023 -1.126 -1.598 1.00 0.00 C ATOM 438 CD1 ILE A 29 1.567 0.245 -4.014 1.00 0.00 C ATOM 0 H ILE A 29 0.455 -3.288 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 29 1.949 -3.939 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 29 0.369 -2.149 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.200 -1.015 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.309 -1.636 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.538 -0.187 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.366 -1.700 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.958 -0.916 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.190 0.837 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.576 0.124 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.480 0.755 -3.055 1.00 0.00 H new ATOM 450 N TYR A 30 3.661 -2.628 -0.949 1.00 0.00 N ATOM 451 CA TYR A 30 5.038 -2.334 -0.492 1.00 0.00 C ATOM 452 C TYR A 30 5.847 -3.624 -0.502 1.00 0.00 C ATOM 453 O TYR A 30 6.918 -3.690 -1.073 1.00 0.00 O ATOM 454 CB TYR A 30 4.957 -1.742 0.911 1.00 0.00 C ATOM 455 CG TYR A 30 3.874 -0.682 0.919 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.510 -0.045 -0.276 1.00 0.00 C ATOM 457 CD2 TYR A 30 3.234 -0.336 2.111 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.511 0.931 -0.277 1.00 0.00 C ATOM 459 CE2 TYR A 30 2.233 0.644 2.111 1.00 0.00 C ATOM 460 CZ TYR A 30 1.873 1.278 0.916 1.00 0.00 C ATOM 461 OH TYR A 30 0.888 2.245 0.915 1.00 0.00 O ATOM 0 H TYR A 30 2.939 -2.525 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 30 5.530 -1.618 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.731 -2.521 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.915 -1.308 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.004 -0.310 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.511 -0.824 3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.232 1.417 -1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.739 0.911 3.034 1.00 0.00 H new ATOM 0 HH TYR A 30 0.982 2.809 1.711 1.00 0.00 H new ATOM 471 N ALA A 31 5.333 -4.661 0.090 1.00 0.00 N ATOM 472 CA ALA A 31 6.069 -5.949 0.067 1.00 0.00 C ATOM 473 C ALA A 31 6.230 -6.370 -1.395 1.00 0.00 C ATOM 474 O ALA A 31 7.104 -7.138 -1.742 1.00 0.00 O ATOM 475 CB ALA A 31 5.274 -7.014 0.827 1.00 0.00 C ATOM 0 H ALA A 31 4.441 -4.673 0.585 1.00 0.00 H new ATOM 0 HA ALA A 31 7.044 -5.839 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.819 -7.958 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.136 -6.696 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.300 -7.147 0.355 1.00 0.00 H new ATOM 481 N HIS A 32 5.386 -5.857 -2.257 1.00 0.00 N ATOM 482 CA HIS A 32 5.478 -6.208 -3.700 1.00 0.00 C ATOM 483 C HIS A 32 6.632 -5.434 -4.346 1.00 0.00 C ATOM 484 O HIS A 32 7.631 -6.004 -4.738 1.00 0.00 O ATOM 485 CB HIS A 32 4.167 -5.839 -4.394 1.00 0.00 C ATOM 486 CG HIS A 32 4.252 -6.239 -5.840 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.368 -7.139 -6.414 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.122 -5.880 -6.839 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.724 -7.290 -7.703 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.787 -6.544 -8.014 1.00 0.00 N ATOM 0 H HIS A 32 4.636 -5.208 -2.018 1.00 0.00 H new ATOM 0 HA HIS A 32 5.659 -7.278 -3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.330 -6.344 -3.912 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.984 -4.768 -4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.943 -5.187 -6.729 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.212 -7.936 -8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.253 -6.476 -8.919 1.00 0.00 H new ATOM 498 N ILE A 33 6.506 -4.138 -4.455 1.00 0.00 N ATOM 499 CA ILE A 33 7.598 -3.329 -5.070 1.00 0.00 C ATOM 500 C ILE A 33 8.908 -3.632 -4.348 1.00 0.00 C ATOM 501 O ILE A 33 9.958 -3.699 -4.948 1.00 0.00 O ATOM 502 CB ILE A 33 7.275 -1.845 -4.921 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.035 -1.522 -3.447 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.021 -1.507 -5.729 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.319 -0.959 -2.839 1.00 0.00 C ATOM 0 H ILE A 33 5.694 -3.605 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 33 7.690 -3.578 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 33 8.112 -1.254 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.225 -0.800 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.728 -2.420 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.793 -0.447 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.193 -1.735 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.182 -2.098 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.152 -0.727 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.117 -1.697 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.605 -0.051 -3.370 1.00 0.00 H new ATOM 517 N THR A 34 8.855 -3.821 -3.061 1.00 0.00 N ATOM 518 CA THR A 34 10.102 -4.126 -2.306 1.00 0.00 C ATOM 519 C THR A 34 10.732 -5.403 -2.869 1.00 0.00 C ATOM 520 O THR A 34 11.923 -5.620 -2.759 1.00 0.00 O ATOM 521 CB THR A 34 9.773 -4.327 -0.824 1.00 0.00 C ATOM 522 OG1 THR A 34 8.698 -5.248 -0.699 1.00 0.00 O ATOM 523 CG2 THR A 34 9.377 -2.987 -0.200 1.00 0.00 C ATOM 0 H THR A 34 8.005 -3.778 -2.499 1.00 0.00 H new ATOM 0 HA THR A 34 10.801 -3.296 -2.408 1.00 0.00 H new ATOM 0 HB THR A 34 10.649 -4.720 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.849 -4.784 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.143 -3.132 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.204 -2.283 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.502 -2.591 -0.715 1.00 0.00 H new ATOM 531 N LYS A 35 9.942 -6.249 -3.475 1.00 0.00 N ATOM 532 CA LYS A 35 10.497 -7.509 -4.047 1.00 0.00 C ATOM 533 C LYS A 35 11.053 -7.233 -5.446 1.00 0.00 C ATOM 534 O LYS A 35 12.118 -7.698 -5.804 1.00 0.00 O ATOM 535 CB LYS A 35 9.388 -8.561 -4.139 1.00 0.00 C ATOM 536 CG LYS A 35 10.014 -9.949 -4.301 1.00 0.00 C ATOM 537 CD LYS A 35 9.885 -10.402 -5.757 1.00 0.00 C ATOM 538 CE LYS A 35 10.272 -11.879 -5.869 1.00 0.00 C ATOM 539 NZ LYS A 35 9.100 -12.727 -5.513 1.00 0.00 N ATOM 0 H LYS A 35 8.938 -6.122 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 35 11.296 -7.878 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.769 -8.532 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.735 -8.344 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.064 -9.922 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.518 -10.662 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.863 -10.256 -6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.529 -9.797 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.602 -12.104 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.108 -12.098 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.362 -13.731 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.804 -12.519 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.314 -12.524 -6.164 1.00 0.00 H new ATOM 553 N HIS A 36 10.344 -6.476 -6.240 1.00 0.00 N ATOM 554 CA HIS A 36 10.835 -6.170 -7.614 1.00 0.00 C ATOM 555 C HIS A 36 11.754 -4.948 -7.563 1.00 0.00 C ATOM 556 O HIS A 36 12.833 -4.946 -8.123 1.00 0.00 O ATOM 557 CB HIS A 36 9.646 -5.874 -8.530 1.00 0.00 C ATOM 558 CG HIS A 36 9.017 -7.168 -8.967 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.303 -7.753 -10.191 1.00 0.00 N ATOM 560 CD2 HIS A 36 8.117 -8.003 -8.354 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.586 -8.888 -10.276 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.845 -9.088 -9.182 1.00 0.00 N ATOM 0 H HIS A 36 9.447 -6.057 -5.996 1.00 0.00 H new ATOM 0 HA HIS A 36 11.386 -7.027 -8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.914 -5.260 -8.006 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.976 -5.305 -9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.685 -7.843 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.607 -9.556 -11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.215 -9.868 -8.994 1.00 0.00 H new ATOM 570 N TYR A 37 11.339 -3.912 -6.887 1.00 0.00 N ATOM 571 CA TYR A 37 12.194 -2.696 -6.790 1.00 0.00 C ATOM 572 C TYR A 37 13.077 -2.818 -5.540 1.00 0.00 C ATOM 573 O TYR A 37 12.571 -2.899 -4.438 1.00 0.00 O ATOM 574 CB TYR A 37 11.305 -1.450 -6.682 1.00 0.00 C ATOM 575 CG TYR A 37 11.171 -0.802 -8.034 1.00 0.00 C ATOM 576 CD1 TYR A 37 12.278 -0.698 -8.881 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.927 -0.313 -8.442 1.00 0.00 C ATOM 578 CE1 TYR A 37 12.140 -0.104 -10.139 1.00 0.00 C ATOM 579 CE2 TYR A 37 9.790 0.284 -9.698 1.00 0.00 C ATOM 580 CZ TYR A 37 10.896 0.389 -10.549 1.00 0.00 C ATOM 581 OH TYR A 37 10.761 0.975 -11.791 1.00 0.00 O ATOM 0 H TYR A 37 10.446 -3.855 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 37 12.820 -2.605 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.321 -1.725 -6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.736 -0.745 -5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.239 -1.076 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.072 -0.396 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.994 -0.025 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.829 0.665 -10.012 1.00 0.00 H new ATOM 0 HH TYR A 37 9.811 1.030 -12.025 1.00 0.00 H new ATOM 591 N PRO A 38 14.372 -2.846 -5.745 1.00 0.00 N ATOM 592 CA PRO A 38 15.344 -2.981 -4.644 1.00 0.00 C ATOM 593 C PRO A 38 15.516 -1.660 -3.885 1.00 0.00 C ATOM 594 O PRO A 38 15.723 -1.651 -2.689 1.00 0.00 O ATOM 595 CB PRO A 38 16.641 -3.378 -5.357 1.00 0.00 C ATOM 596 CG PRO A 38 16.496 -2.906 -6.822 1.00 0.00 C ATOM 597 CD PRO A 38 14.988 -2.742 -7.084 1.00 0.00 C ATOM 0 HA PRO A 38 15.031 -3.707 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.504 -2.911 -4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.796 -4.456 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.021 -1.964 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.932 -3.632 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.767 -1.782 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.614 -3.515 -7.755 1.00 0.00 H new ATOM 605 N TYR A 39 15.435 -0.547 -4.560 1.00 0.00 N ATOM 606 CA TYR A 39 15.600 0.754 -3.852 1.00 0.00 C ATOM 607 C TYR A 39 14.499 0.906 -2.800 1.00 0.00 C ATOM 608 O TYR A 39 14.768 1.114 -1.634 1.00 0.00 O ATOM 609 CB TYR A 39 15.507 1.909 -4.851 1.00 0.00 C ATOM 610 CG TYR A 39 15.569 3.218 -4.100 1.00 0.00 C ATOM 611 CD1 TYR A 39 16.653 3.489 -3.258 1.00 0.00 C ATOM 612 CD2 TYR A 39 14.541 4.158 -4.242 1.00 0.00 C ATOM 613 CE1 TYR A 39 16.712 4.700 -2.559 1.00 0.00 C ATOM 614 CE2 TYR A 39 14.600 5.369 -3.542 1.00 0.00 C ATOM 615 CZ TYR A 39 15.685 5.640 -2.700 1.00 0.00 C ATOM 616 OH TYR A 39 15.744 6.833 -2.009 1.00 0.00 O ATOM 0 H TYR A 39 15.263 -0.481 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 39 16.577 0.775 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.323 1.850 -5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.577 1.843 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 39 17.445 2.763 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.703 3.949 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 39 17.550 4.909 -1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.808 6.095 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 39 14.954 7.373 -2.220 1.00 0.00 H new ATOM 626 N TYR A 40 13.262 0.806 -3.204 1.00 0.00 N ATOM 627 CA TYR A 40 12.148 0.948 -2.226 1.00 0.00 C ATOM 628 C TYR A 40 12.189 -0.217 -1.235 1.00 0.00 C ATOM 629 O TYR A 40 11.532 -1.223 -1.417 1.00 0.00 O ATOM 630 CB TYR A 40 10.811 0.946 -2.973 1.00 0.00 C ATOM 631 CG TYR A 40 10.476 2.356 -3.395 1.00 0.00 C ATOM 632 CD1 TYR A 40 11.503 3.248 -3.730 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.142 2.777 -3.441 1.00 0.00 C ATOM 634 CE1 TYR A 40 11.196 4.561 -4.111 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.835 4.090 -3.824 1.00 0.00 C ATOM 636 CZ TYR A 40 9.861 4.981 -4.157 1.00 0.00 C ATOM 637 OH TYR A 40 9.556 6.273 -4.533 1.00 0.00 O ATOM 0 H TYR A 40 12.976 0.632 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 40 12.255 1.887 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.870 0.297 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.024 0.549 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.532 2.923 -3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.350 2.091 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.988 5.248 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.805 4.414 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 40 10.383 6.760 -4.732 1.00 0.00 H new ATOM 647 N ARG A 41 12.958 -0.090 -0.189 1.00 0.00 N ATOM 648 CA ARG A 41 13.045 -1.189 0.813 1.00 0.00 C ATOM 649 C ARG A 41 12.049 -0.931 1.947 1.00 0.00 C ATOM 650 O ARG A 41 11.024 -1.574 2.044 1.00 0.00 O ATOM 651 CB ARG A 41 14.464 -1.248 1.382 1.00 0.00 C ATOM 652 CG ARG A 41 15.470 -1.365 0.236 1.00 0.00 C ATOM 653 CD ARG A 41 16.850 -1.713 0.800 1.00 0.00 C ATOM 654 NE ARG A 41 17.881 -0.848 0.160 1.00 0.00 N ATOM 655 CZ ARG A 41 17.987 0.405 0.506 1.00 0.00 C ATOM 656 NH1 ARG A 41 18.483 0.721 1.670 1.00 0.00 N ATOM 657 NH2 ARG A 41 17.596 1.344 -0.314 1.00 0.00 N ATOM 0 H ARG A 41 13.531 0.729 0.015 1.00 0.00 H new ATOM 0 HA ARG A 41 12.806 -2.138 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.669 -0.353 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.562 -2.100 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.149 -2.134 -0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.518 -0.427 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.860 -1.570 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.076 -2.763 0.616 1.00 0.00 H new ATOM 0 HE ARG A 41 18.504 -1.236 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.788 -0.012 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.566 1.701 1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.208 1.097 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.679 2.324 -0.044 1.00 0.00 H new ATOM 671 N THR A 42 12.343 0.007 2.806 1.00 0.00 N ATOM 672 CA THR A 42 11.414 0.303 3.932 1.00 0.00 C ATOM 673 C THR A 42 11.468 1.796 4.258 1.00 0.00 C ATOM 674 O THR A 42 11.227 2.207 5.375 1.00 0.00 O ATOM 675 CB THR A 42 11.833 -0.503 5.164 1.00 0.00 C ATOM 676 OG1 THR A 42 13.225 -0.778 5.097 1.00 0.00 O ATOM 677 CG2 THR A 42 11.053 -1.819 5.207 1.00 0.00 C ATOM 0 H THR A 42 13.186 0.580 2.776 1.00 0.00 H new ATOM 0 HA THR A 42 10.398 0.030 3.647 1.00 0.00 H new ATOM 0 HB THR A 42 11.618 0.073 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.495 -1.293 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.353 -2.391 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.985 -1.607 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.265 -2.397 4.307 1.00 0.00 H new ATOM 685 N ALA A 43 11.782 2.612 3.290 1.00 0.00 N ATOM 686 CA ALA A 43 11.852 4.077 3.546 1.00 0.00 C ATOM 687 C ALA A 43 10.522 4.726 3.159 1.00 0.00 C ATOM 688 O ALA A 43 9.653 4.093 2.594 1.00 0.00 O ATOM 689 CB ALA A 43 12.981 4.686 2.711 1.00 0.00 C ATOM 0 H ALA A 43 11.993 2.327 2.334 1.00 0.00 H new ATOM 0 HA ALA A 43 12.047 4.253 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.033 5.759 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.928 4.223 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.786 4.511 1.653 1.00 0.00 H new ATOM 695 N ASP A 44 10.357 5.987 3.457 1.00 0.00 N ATOM 696 CA ASP A 44 9.084 6.677 3.103 1.00 0.00 C ATOM 697 C ASP A 44 9.397 7.981 2.368 1.00 0.00 C ATOM 698 O ASP A 44 9.518 9.030 2.969 1.00 0.00 O ATOM 699 CB ASP A 44 8.296 6.988 4.380 1.00 0.00 C ATOM 700 CG ASP A 44 9.265 7.256 5.532 1.00 0.00 C ATOM 701 OD1 ASP A 44 9.707 6.298 6.143 1.00 0.00 O ATOM 702 OD2 ASP A 44 9.550 8.416 5.783 1.00 0.00 O ATOM 0 H ASP A 44 11.049 6.568 3.930 1.00 0.00 H new ATOM 0 HA ASP A 44 8.489 6.030 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.656 7.856 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.643 6.151 4.629 1.00 0.00 H new ATOM 707 N LYS A 45 9.533 7.925 1.070 1.00 0.00 N ATOM 708 CA LYS A 45 9.841 9.163 0.300 1.00 0.00 C ATOM 709 C LYS A 45 8.535 9.879 -0.067 1.00 0.00 C ATOM 710 O LYS A 45 8.161 10.854 0.552 1.00 0.00 O ATOM 711 CB LYS A 45 10.608 8.795 -0.973 1.00 0.00 C ATOM 712 CG LYS A 45 11.968 9.497 -0.970 1.00 0.00 C ATOM 713 CD LYS A 45 12.827 8.944 0.169 1.00 0.00 C ATOM 714 CE LYS A 45 13.244 10.086 1.098 1.00 0.00 C ATOM 715 NZ LYS A 45 14.430 9.664 1.896 1.00 0.00 N ATOM 0 H LYS A 45 9.444 7.076 0.511 1.00 0.00 H new ATOM 0 HA LYS A 45 10.454 9.828 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.744 7.715 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.036 9.090 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.470 9.344 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.834 10.572 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.269 8.193 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.710 8.449 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.481 10.976 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.420 10.350 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.716 10.438 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.187 8.826 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.215 9.433 1.255 1.00 0.00 H new ATOM 729 N GLY A 46 7.839 9.408 -1.068 1.00 0.00 N ATOM 730 CA GLY A 46 6.562 10.074 -1.460 1.00 0.00 C ATOM 731 C GLY A 46 5.590 9.044 -2.045 1.00 0.00 C ATOM 732 O GLY A 46 4.798 9.353 -2.914 1.00 0.00 O ATOM 0 H GLY A 46 8.097 8.596 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.113 10.557 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.760 10.856 -2.193 1.00 0.00 H new ATOM 736 N TRP A 47 5.637 7.827 -1.576 1.00 0.00 N ATOM 737 CA TRP A 47 4.710 6.788 -2.104 1.00 0.00 C ATOM 738 C TRP A 47 3.976 6.110 -0.941 1.00 0.00 C ATOM 739 O TRP A 47 2.850 5.681 -1.079 1.00 0.00 O ATOM 740 CB TRP A 47 5.502 5.749 -2.898 1.00 0.00 C ATOM 741 CG TRP A 47 6.293 4.883 -1.970 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.239 5.319 -1.105 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.232 3.438 -1.814 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.761 4.233 -0.429 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.174 3.052 -0.831 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.457 2.434 -2.424 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.346 1.718 -0.468 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.628 1.091 -2.058 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.573 0.733 -1.083 1.00 0.00 C ATOM 0 H TRP A 47 6.278 7.508 -0.850 1.00 0.00 H new ATOM 0 HA TRP A 47 3.978 7.257 -2.761 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.821 5.135 -3.488 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.170 6.249 -3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.537 6.348 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.491 4.297 0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.728 2.699 -3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.073 1.448 0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.028 0.326 -2.530 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.701 -0.304 -0.810 1.00 0.00 H new ATOM 760 N GLN A 48 4.609 6.011 0.201 1.00 0.00 N ATOM 761 CA GLN A 48 3.953 5.363 1.381 1.00 0.00 C ATOM 762 C GLN A 48 2.455 5.733 1.457 1.00 0.00 C ATOM 763 O GLN A 48 1.637 5.131 0.791 1.00 0.00 O ATOM 764 CB GLN A 48 4.686 5.723 2.708 1.00 0.00 C ATOM 765 CG GLN A 48 4.951 7.243 2.918 1.00 0.00 C ATOM 766 CD GLN A 48 4.834 8.043 1.620 1.00 0.00 C ATOM 767 OE1 GLN A 48 5.752 8.057 0.825 1.00 0.00 O ATOM 768 NE2 GLN A 48 3.751 8.723 1.368 1.00 0.00 N ATOM 0 H GLN A 48 5.556 6.352 0.369 1.00 0.00 H new ATOM 0 HA GLN A 48 4.026 4.284 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.094 5.353 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.640 5.196 2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.242 7.635 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.948 7.380 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.977 8.714 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.677 9.264 0.506 1.00 0.00 H new ATOM 777 N ASN A 49 2.072 6.688 2.262 1.00 0.00 N ATOM 778 CA ASN A 49 0.625 7.042 2.358 1.00 0.00 C ATOM 779 C ASN A 49 0.109 7.479 0.988 1.00 0.00 C ATOM 780 O ASN A 49 -1.049 7.298 0.667 1.00 0.00 O ATOM 781 CB ASN A 49 0.446 8.184 3.360 1.00 0.00 C ATOM 782 CG ASN A 49 -0.227 7.651 4.625 1.00 0.00 C ATOM 783 OD1 ASN A 49 0.289 7.806 5.714 1.00 0.00 O ATOM 784 ND2 ASN A 49 -1.367 7.022 4.527 1.00 0.00 N ATOM 0 H ASN A 49 2.695 7.236 2.855 1.00 0.00 H new ATOM 0 HA ASN A 49 0.062 6.171 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.414 8.621 3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.159 8.977 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.824 6.661 5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.801 6.892 3.613 1.00 0.00 H new ATOM 791 N SER A 50 0.954 8.037 0.170 1.00 0.00 N ATOM 792 CA SER A 50 0.497 8.460 -1.180 1.00 0.00 C ATOM 793 C SER A 50 -0.162 7.262 -1.857 1.00 0.00 C ATOM 794 O SER A 50 -1.155 7.387 -2.545 1.00 0.00 O ATOM 795 CB SER A 50 1.698 8.924 -2.004 1.00 0.00 C ATOM 796 OG SER A 50 1.550 10.303 -2.315 1.00 0.00 O ATOM 0 H SER A 50 1.936 8.218 0.376 1.00 0.00 H new ATOM 0 HA SER A 50 -0.213 9.283 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.620 8.762 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.773 8.339 -2.920 1.00 0.00 H new ATOM 0 HG SER A 50 2.320 10.604 -2.842 1.00 0.00 H new ATOM 802 N ILE A 51 0.384 6.095 -1.648 1.00 0.00 N ATOM 803 CA ILE A 51 -0.203 4.871 -2.256 1.00 0.00 C ATOM 804 C ILE A 51 -1.674 4.773 -1.841 1.00 0.00 C ATOM 805 O ILE A 51 -2.561 4.895 -2.661 1.00 0.00 O ATOM 806 CB ILE A 51 0.601 3.643 -1.770 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.707 3.285 -2.785 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.320 2.424 -1.609 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.118 4.512 -3.611 1.00 0.00 C ATOM 0 H ILE A 51 1.216 5.938 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.153 4.910 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 51 1.047 3.899 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.575 2.891 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.353 2.497 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.264 1.570 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.097 2.649 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.781 2.187 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.899 4.230 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.253 4.889 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.494 5.289 -2.946 1.00 0.00 H new ATOM 821 N ARG A 52 -1.940 4.567 -0.579 1.00 0.00 N ATOM 822 CA ARG A 52 -3.357 4.470 -0.126 1.00 0.00 C ATOM 823 C ARG A 52 -4.143 5.648 -0.697 1.00 0.00 C ATOM 824 O ARG A 52 -5.282 5.514 -1.095 1.00 0.00 O ATOM 825 CB ARG A 52 -3.405 4.511 1.405 1.00 0.00 C ATOM 826 CG ARG A 52 -4.834 4.806 1.872 1.00 0.00 C ATOM 827 CD ARG A 52 -5.772 3.700 1.385 1.00 0.00 C ATOM 828 NE ARG A 52 -7.097 4.287 1.041 1.00 0.00 N ATOM 829 CZ ARG A 52 -7.714 5.054 1.899 1.00 0.00 C ATOM 830 NH1 ARG A 52 -8.186 4.548 3.005 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.859 6.327 1.648 1.00 0.00 N ATOM 0 H ARG A 52 -1.240 4.462 0.155 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.795 3.535 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.068 3.558 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.725 5.277 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.866 4.871 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.162 5.771 1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.345 3.204 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.889 2.941 2.158 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.522 4.090 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.073 3.553 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.668 5.147 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.491 6.721 0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.341 6.927 2.317 1.00 0.00 H new ATOM 845 N HIS A 53 -3.539 6.800 -0.750 1.00 0.00 N ATOM 846 CA HIS A 53 -4.246 7.983 -1.307 1.00 0.00 C ATOM 847 C HIS A 53 -4.483 7.760 -2.803 1.00 0.00 C ATOM 848 O HIS A 53 -5.506 8.127 -3.345 1.00 0.00 O ATOM 849 CB HIS A 53 -3.377 9.226 -1.101 1.00 0.00 C ATOM 850 CG HIS A 53 -4.235 10.459 -1.151 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.527 10.664 -1.571 1.00 0.00 N flip ATOM 852 CD2 HIS A 53 -3.774 11.696 -0.728 1.00 0.00 C flip ATOM 853 CE1 HIS A 53 -5.863 12.005 -1.413 1.00 0.00 C flip ATOM 854 NE2 HIS A 53 -4.772 12.582 -0.901 1.00 0.00 N flip ATOM 0 H HIS A 53 -2.586 6.973 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.203 8.122 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.864 9.167 -0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.608 9.275 -1.872 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -6.146 9.943 -1.942 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.792 11.910 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.804 12.478 -1.653 1.00 0.00 H new ATOM 862 N ASN A 54 -3.535 7.162 -3.472 1.00 0.00 N ATOM 863 CA ASN A 54 -3.686 6.908 -4.934 1.00 0.00 C ATOM 864 C ASN A 54 -4.726 5.810 -5.181 1.00 0.00 C ATOM 865 O ASN A 54 -5.415 5.815 -6.183 1.00 0.00 O ATOM 866 CB ASN A 54 -2.337 6.472 -5.507 1.00 0.00 C ATOM 867 CG ASN A 54 -1.311 7.585 -5.285 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.155 7.298 -4.752 1.00 0.00 O flip ATOM 869 ND2 ASN A 54 -1.566 8.731 -5.599 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.657 6.837 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.021 7.823 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.004 5.553 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.433 6.257 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.469 8.957 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.877 9.467 -5.446 1.00 0.00 H new ATOM 876 N LEU A 55 -4.849 4.868 -4.284 1.00 0.00 N ATOM 877 CA LEU A 55 -5.852 3.777 -4.494 1.00 0.00 C ATOM 878 C LEU A 55 -7.260 4.352 -4.325 1.00 0.00 C ATOM 879 O LEU A 55 -8.235 3.775 -4.767 1.00 0.00 O ATOM 880 CB LEU A 55 -5.651 2.628 -3.484 1.00 0.00 C ATOM 881 CG LEU A 55 -4.232 2.643 -2.909 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.043 1.449 -1.975 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.221 2.561 -4.053 1.00 0.00 C ATOM 0 H LEU A 55 -4.306 4.804 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.719 3.377 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.376 2.720 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.839 1.672 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.077 3.566 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.032 1.462 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.764 1.507 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.198 0.524 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.210 2.572 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.378 1.638 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.354 3.415 -4.718 1.00 0.00 H new ATOM 895 N SER A 56 -7.375 5.485 -3.687 1.00 0.00 N ATOM 896 CA SER A 56 -8.719 6.098 -3.488 1.00 0.00 C ATOM 897 C SER A 56 -9.036 7.031 -4.660 1.00 0.00 C ATOM 898 O SER A 56 -10.179 7.212 -5.030 1.00 0.00 O ATOM 899 CB SER A 56 -8.722 6.897 -2.183 1.00 0.00 C ATOM 900 OG SER A 56 -7.484 6.701 -1.510 1.00 0.00 O ATOM 0 H SER A 56 -6.595 6.013 -3.295 1.00 0.00 H new ATOM 0 HA SER A 56 -9.474 5.313 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.872 7.956 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.549 6.577 -1.549 1.00 0.00 H new ATOM 0 HG SER A 56 -7.249 7.513 -1.014 1.00 0.00 H new ATOM 906 N LEU A 57 -8.033 7.630 -5.241 1.00 0.00 N ATOM 907 CA LEU A 57 -8.276 8.556 -6.384 1.00 0.00 C ATOM 908 C LEU A 57 -8.335 7.759 -7.689 1.00 0.00 C ATOM 909 O LEU A 57 -9.288 7.844 -8.436 1.00 0.00 O ATOM 910 CB LEU A 57 -7.138 9.577 -6.467 1.00 0.00 C ATOM 911 CG LEU A 57 -6.811 10.099 -5.066 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.346 10.534 -5.012 1.00 0.00 C ATOM 913 CD2 LEU A 57 -7.709 11.296 -4.747 1.00 0.00 C ATOM 0 H LEU A 57 -7.055 7.518 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.223 9.074 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.255 9.116 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.425 10.404 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.982 9.309 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.113 10.906 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.705 9.683 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.174 11.324 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.477 11.669 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.537 12.085 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.754 10.988 -4.785 1.00 0.00 H new ATOM 925 N ASN A 58 -7.319 6.989 -7.968 1.00 0.00 N ATOM 926 CA ASN A 58 -7.313 6.189 -9.225 1.00 0.00 C ATOM 927 C ASN A 58 -8.686 5.550 -9.431 1.00 0.00 C ATOM 928 O ASN A 58 -9.231 4.925 -8.544 1.00 0.00 O ATOM 929 CB ASN A 58 -6.247 5.096 -9.126 1.00 0.00 C ATOM 930 CG ASN A 58 -4.862 5.719 -9.315 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.294 5.650 -10.387 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.291 6.333 -8.315 1.00 0.00 N ATOM 0 H ASN A 58 -6.493 6.879 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.088 6.840 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.306 4.601 -8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.421 4.333 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.370 6.754 -8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.766 6.392 -7.414 1.00 0.00 H new ATOM 939 N ARG A 59 -9.254 5.708 -10.597 1.00 0.00 N ATOM 940 CA ARG A 59 -10.594 5.114 -10.859 1.00 0.00 C ATOM 941 C ARG A 59 -10.448 3.619 -11.142 1.00 0.00 C ATOM 942 O ARG A 59 -11.395 2.865 -11.037 1.00 0.00 O ATOM 943 CB ARG A 59 -11.226 5.796 -12.072 1.00 0.00 C ATOM 944 CG ARG A 59 -10.198 5.874 -13.202 1.00 0.00 C ATOM 945 CD ARG A 59 -10.918 5.848 -14.550 1.00 0.00 C ATOM 946 NE ARG A 59 -10.534 7.051 -15.339 1.00 0.00 N ATOM 947 CZ ARG A 59 -11.450 7.755 -15.946 1.00 0.00 C ATOM 948 NH1 ARG A 59 -12.369 8.368 -15.249 1.00 0.00 N ATOM 949 NH2 ARG A 59 -11.448 7.846 -17.248 1.00 0.00 N ATOM 0 H ARG A 59 -8.847 6.223 -11.378 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.228 5.259 -9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.103 5.239 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.566 6.797 -11.805 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.609 6.787 -13.110 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.502 5.038 -13.133 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.657 4.942 -15.097 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.997 5.828 -14.398 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.554 7.325 -15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.370 8.296 -14.232 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.085 8.919 -15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.730 7.367 -17.792 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.164 8.396 -17.722 1.00 0.00 H new ATOM 963 N TYR A 60 -9.274 3.180 -11.504 1.00 0.00 N ATOM 964 CA TYR A 60 -9.088 1.730 -11.793 1.00 0.00 C ATOM 965 C TYR A 60 -8.669 1.002 -10.518 1.00 0.00 C ATOM 966 O TYR A 60 -8.213 -0.123 -10.553 1.00 0.00 O ATOM 967 CB TYR A 60 -8.035 1.529 -12.890 1.00 0.00 C ATOM 968 CG TYR A 60 -6.730 2.212 -12.533 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.566 3.578 -12.788 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.673 1.474 -11.980 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.354 4.209 -12.487 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.460 2.106 -11.685 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.301 3.472 -11.937 1.00 0.00 C ATOM 974 OH TYR A 60 -3.102 4.091 -11.644 1.00 0.00 O ATOM 0 H TYR A 60 -8.441 3.758 -11.612 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.033 1.317 -12.148 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.861 0.463 -13.039 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.409 1.926 -13.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.377 4.147 -13.218 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.795 0.419 -11.782 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.232 5.265 -12.679 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.645 1.538 -11.262 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.255 5.048 -11.497 1.00 0.00 H new ATOM 984 N PHE A 61 -8.843 1.633 -9.391 1.00 0.00 N ATOM 985 CA PHE A 61 -8.483 0.987 -8.099 1.00 0.00 C ATOM 986 C PHE A 61 -9.684 1.092 -7.157 1.00 0.00 C ATOM 987 O PHE A 61 -10.452 2.032 -7.226 1.00 0.00 O ATOM 988 CB PHE A 61 -7.282 1.709 -7.481 1.00 0.00 C ATOM 989 CG PHE A 61 -5.980 1.252 -8.118 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.915 0.088 -8.909 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.821 2.004 -7.905 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.699 -0.307 -9.473 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.612 1.606 -8.471 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.550 0.450 -9.252 1.00 0.00 C ATOM 0 H PHE A 61 -9.222 2.576 -9.309 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.222 -0.059 -8.262 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.395 2.785 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.252 1.518 -6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.805 -0.499 -9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.863 2.897 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.650 -1.199 -10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.721 2.193 -8.305 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.610 0.142 -9.685 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.867 0.139 -6.284 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.034 0.202 -5.358 1.00 0.00 C ATOM 1006 C ILE A 62 -10.785 -0.687 -4.139 1.00 0.00 C ATOM 1007 O ILE A 62 -9.871 -1.486 -4.114 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.287 -0.289 -6.088 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.020 -1.680 -6.669 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.636 0.679 -7.220 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.347 -2.368 -6.991 1.00 0.00 C ATOM 0 H ILE A 62 -9.263 -0.676 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.173 1.232 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.121 -0.338 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.414 -1.598 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.452 -2.279 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.528 0.327 -7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.824 1.670 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.805 0.731 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.153 -3.358 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.937 -2.465 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.898 -1.773 -7.719 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.602 -0.556 -3.130 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.427 -1.392 -1.910 1.00 0.00 C ATOM 1025 C LYS A 63 -12.491 -2.492 -1.893 1.00 0.00 C ATOM 1026 O LYS A 63 -13.468 -2.434 -2.613 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.578 -0.515 -0.667 1.00 0.00 C ATOM 1028 CG LYS A 63 -10.648 -1.026 0.434 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.950 0.160 1.100 1.00 0.00 C ATOM 1030 CE LYS A 63 -9.686 -0.164 2.571 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.371 0.841 3.430 1.00 0.00 N ATOM 0 H LYS A 63 -12.386 0.096 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.436 -1.845 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.339 0.521 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.612 -0.531 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.217 -1.589 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.909 -1.708 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.011 0.376 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.570 1.053 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.048 -1.165 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.614 -0.158 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.192 0.622 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.005 1.790 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.394 0.814 3.247 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.312 -3.492 -1.075 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.315 -4.591 -1.015 1.00 0.00 C ATOM 1047 C VAL A 64 -14.357 -4.273 0.062 1.00 0.00 C ATOM 1048 O VAL A 64 -14.101 -3.493 0.959 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.610 -5.907 -0.677 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.367 -6.060 -1.553 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.193 -5.900 0.795 1.00 0.00 C ATOM 0 H VAL A 64 -11.515 -3.595 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.811 -4.685 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.290 -6.739 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.865 -6.997 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.660 -6.065 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.688 -5.227 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.691 -6.837 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.513 -5.067 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.077 -5.790 1.423 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.504 -4.890 -0.060 1.00 0.00 N ATOM 1062 CA PRO A 65 -16.615 -4.698 0.891 1.00 0.00 C ATOM 1063 C PRO A 65 -16.362 -5.496 2.173 1.00 0.00 C ATOM 1064 O PRO A 65 -15.275 -5.984 2.408 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.830 -5.244 0.137 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.278 -6.214 -0.936 1.00 0.00 C ATOM 1067 CD PRO A 65 -15.801 -5.836 -1.154 1.00 0.00 C ATOM 0 HA PRO A 65 -16.743 -3.661 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.508 -5.761 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.396 -4.435 -0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.368 -7.249 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.842 -6.126 -1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.155 -6.713 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.647 -5.377 -2.130 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.359 -5.632 3.005 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.172 -6.396 4.271 1.00 0.00 C ATOM 1077 C ARG A 66 -18.259 -7.469 4.388 1.00 0.00 C ATOM 1078 O ARG A 66 -18.683 -7.819 5.471 1.00 0.00 O ATOM 1079 CB ARG A 66 -17.271 -5.442 5.463 1.00 0.00 C ATOM 1080 CG ARG A 66 -18.370 -4.410 5.204 1.00 0.00 C ATOM 1081 CD ARG A 66 -18.501 -3.489 6.419 1.00 0.00 C ATOM 1082 NE ARG A 66 -17.235 -2.724 6.600 1.00 0.00 N ATOM 1083 CZ ARG A 66 -16.852 -2.365 7.796 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -16.096 -3.159 8.505 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -17.225 -1.213 8.281 1.00 0.00 N ATOM 0 H ARG A 66 -18.293 -5.248 2.863 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.191 -6.871 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.490 -6.002 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.316 -4.940 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.133 -3.826 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.318 -4.913 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.337 -2.803 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.715 -4.076 7.312 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.667 -2.480 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.805 -4.060 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.797 -2.879 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.815 -0.593 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.926 -0.932 9.215 1.00 0.00 H new ATOM 1099 N SER A 67 -18.712 -7.994 3.283 1.00 0.00 N ATOM 1100 CA SER A 67 -19.768 -9.043 3.335 1.00 0.00 C ATOM 1101 C SER A 67 -19.116 -10.424 3.239 1.00 0.00 C ATOM 1102 O SER A 67 -19.747 -11.438 3.470 1.00 0.00 O ATOM 1103 CB SER A 67 -20.734 -8.852 2.165 1.00 0.00 C ATOM 1104 OG SER A 67 -20.045 -8.244 1.081 1.00 0.00 O ATOM 0 H SER A 67 -18.396 -7.742 2.346 1.00 0.00 H new ATOM 0 HA SER A 67 -20.316 -8.963 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 67 -21.144 -9.814 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 -21.575 -8.230 2.471 1.00 0.00 H new ATOM 0 HG SER A 67 -20.661 -8.122 0.329 1.00 0.00 H new ATOM 1110 N GLN A 68 -17.855 -10.472 2.903 1.00 0.00 N ATOM 1111 CA GLN A 68 -17.160 -11.786 2.795 1.00 0.00 C ATOM 1112 C GLN A 68 -15.677 -11.606 3.130 1.00 0.00 C ATOM 1113 O GLN A 68 -14.877 -11.263 2.283 1.00 0.00 O ATOM 1114 CB GLN A 68 -17.297 -12.319 1.366 1.00 0.00 C ATOM 1115 CG GLN A 68 -16.696 -13.725 1.285 1.00 0.00 C ATOM 1116 CD GLN A 68 -17.512 -14.575 0.308 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -18.374 -14.068 -0.381 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -17.274 -15.854 0.218 1.00 0.00 N ATOM 0 H GLN A 68 -17.276 -9.657 2.699 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.609 -12.493 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.347 -12.344 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.788 -11.654 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.658 -13.670 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.693 -14.188 2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.550 -16.280 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.812 -16.428 -0.431 1.00 0.00 H new ATOM 1127 N GLU A 69 -15.302 -11.836 4.359 1.00 0.00 N ATOM 1128 CA GLU A 69 -13.870 -11.678 4.741 1.00 0.00 C ATOM 1129 C GLU A 69 -13.685 -12.057 6.213 1.00 0.00 C ATOM 1130 O GLU A 69 -13.932 -11.266 7.102 1.00 0.00 O ATOM 1131 CB GLU A 69 -13.446 -10.223 4.534 1.00 0.00 C ATOM 1132 CG GLU A 69 -12.058 -10.185 3.893 1.00 0.00 C ATOM 1133 CD GLU A 69 -12.095 -9.296 2.649 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -12.685 -9.712 1.666 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -11.535 -8.215 2.703 1.00 0.00 O ATOM 0 H GLU A 69 -15.924 -12.126 5.114 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.256 -12.330 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.167 -9.710 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.432 -9.697 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.327 -9.802 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.742 -11.193 3.624 1.00 0.00 H new ATOM 1142 N GLU A 70 -13.254 -13.260 6.479 1.00 0.00 N ATOM 1143 CA GLU A 70 -13.056 -13.681 7.893 1.00 0.00 C ATOM 1144 C GLU A 70 -12.005 -12.780 8.564 1.00 0.00 C ATOM 1145 O GLU A 70 -12.234 -12.285 9.651 1.00 0.00 O ATOM 1146 CB GLU A 70 -12.618 -15.156 7.932 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.839 -15.449 9.220 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.935 -16.942 9.544 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.235 -17.707 8.642 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.707 -17.294 10.689 1.00 0.00 O ATOM 0 H GLU A 70 -13.031 -13.968 5.779 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.993 -13.580 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.493 -15.803 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.997 -15.380 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.795 -15.158 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.242 -14.860 10.044 1.00 0.00 H new ATOM 1157 N PRO A 71 -10.885 -12.587 7.906 1.00 0.00 N ATOM 1158 CA PRO A 71 -9.797 -11.746 8.438 1.00 0.00 C ATOM 1159 C PRO A 71 -10.121 -10.263 8.229 1.00 0.00 C ATOM 1160 O PRO A 71 -10.243 -9.797 7.114 1.00 0.00 O ATOM 1161 CB PRO A 71 -8.582 -12.160 7.604 1.00 0.00 C ATOM 1162 CG PRO A 71 -9.138 -12.770 6.296 1.00 0.00 C ATOM 1163 CD PRO A 71 -10.594 -13.181 6.583 1.00 0.00 C ATOM 0 HA PRO A 71 -9.637 -11.876 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.945 -11.301 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.971 -12.885 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.093 -12.046 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.546 -13.632 5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.273 -12.802 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.706 -14.265 6.600 1.00 0.00 H new ATOM 1171 N GLY A 72 -10.263 -9.519 9.292 1.00 0.00 N ATOM 1172 CA GLY A 72 -10.579 -8.070 9.148 1.00 0.00 C ATOM 1173 C GLY A 72 -9.832 -7.273 10.219 1.00 0.00 C ATOM 1174 O GLY A 72 -10.373 -6.371 10.827 1.00 0.00 O ATOM 0 H GLY A 72 -10.174 -9.851 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.293 -7.722 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.653 -7.910 9.244 1.00 0.00 H new ATOM 1178 N LYS A 73 -8.589 -7.595 10.454 1.00 0.00 N ATOM 1179 CA LYS A 73 -7.810 -6.851 11.484 1.00 0.00 C ATOM 1180 C LYS A 73 -7.314 -5.528 10.895 1.00 0.00 C ATOM 1181 O LYS A 73 -6.648 -4.755 11.555 1.00 0.00 O ATOM 1182 CB LYS A 73 -6.610 -7.692 11.924 1.00 0.00 C ATOM 1183 CG LYS A 73 -6.303 -7.408 13.395 1.00 0.00 C ATOM 1184 CD LYS A 73 -4.843 -6.977 13.538 1.00 0.00 C ATOM 1185 CE LYS A 73 -4.045 -8.093 14.214 1.00 0.00 C ATOM 1186 NZ LYS A 73 -3.979 -7.837 15.682 1.00 0.00 N ATOM 0 H LYS A 73 -8.080 -8.340 9.978 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.449 -6.650 12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.823 -8.752 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.742 -7.457 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.963 -6.626 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.491 -8.298 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.420 -6.756 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.779 -6.062 14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.515 -9.058 14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.039 -8.140 13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.437 -8.595 16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.512 -6.924 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.942 -7.813 16.074 1.00 0.00 H new ATOM 1200 N GLY A 74 -7.635 -5.259 9.658 1.00 0.00 N ATOM 1201 CA GLY A 74 -7.182 -3.987 9.030 1.00 0.00 C ATOM 1202 C GLY A 74 -8.050 -3.687 7.806 1.00 0.00 C ATOM 1203 O GLY A 74 -9.136 -3.153 7.918 1.00 0.00 O ATOM 0 H GLY A 74 -8.191 -5.866 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.251 -3.170 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.135 -4.066 8.737 1.00 0.00 H new ATOM 1207 N SER A 75 -7.581 -4.026 6.636 1.00 0.00 N ATOM 1208 CA SER A 75 -8.384 -3.758 5.407 1.00 0.00 C ATOM 1209 C SER A 75 -7.765 -4.494 4.215 1.00 0.00 C ATOM 1210 O SER A 75 -6.676 -5.026 4.297 1.00 0.00 O ATOM 1211 CB SER A 75 -8.398 -2.254 5.129 1.00 0.00 C ATOM 1212 OG SER A 75 -7.092 -1.729 5.329 1.00 0.00 O ATOM 0 H SER A 75 -6.679 -4.476 6.477 1.00 0.00 H new ATOM 0 HA SER A 75 -9.404 -4.111 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.727 -2.064 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.108 -1.757 5.790 1.00 0.00 H new ATOM 0 HG SER A 75 -7.096 -0.765 5.150 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.454 -4.527 3.106 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.914 -5.227 1.905 1.00 0.00 C ATOM 1220 C PHE A 76 -8.513 -4.600 0.644 1.00 0.00 C ATOM 1221 O PHE A 76 -9.654 -4.845 0.303 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.299 -6.707 1.964 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.105 -7.561 1.608 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.279 -7.203 0.535 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.828 -8.715 2.349 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.175 -8.001 0.205 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.724 -9.512 2.021 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.898 -9.155 0.949 1.00 0.00 C ATOM 0 H PHE A 76 -9.371 -4.098 2.980 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.828 -5.132 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.654 -6.960 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.119 -6.907 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.493 -6.313 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.466 -8.992 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.538 -7.726 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.510 -10.402 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.047 -9.769 0.695 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.761 -3.792 -0.053 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.309 -3.159 -1.285 1.00 0.00 C ATOM 1240 C TRP A 77 -7.715 -3.845 -2.523 1.00 0.00 C ATOM 1241 O TRP A 77 -6.756 -4.585 -2.434 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.965 -1.664 -1.284 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.569 -1.454 -1.767 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.454 -1.588 -1.015 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.127 -1.073 -3.095 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -4.353 -1.314 -1.801 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.719 -0.990 -3.091 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.807 -0.792 -4.292 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.007 -0.639 -4.233 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -6.093 -0.437 -5.445 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.697 -0.359 -5.414 1.00 0.00 C ATOM 0 H TRP A 77 -6.798 -3.545 0.175 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.393 -3.273 -1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.663 -1.123 -1.922 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -8.074 -1.259 -0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.429 -1.864 0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.389 -1.347 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.885 -0.850 -4.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.929 -0.583 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.623 -0.223 -6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.152 -0.082 -6.304 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.278 -3.606 -3.678 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.743 -4.246 -4.915 1.00 0.00 C ATOM 1264 C ARG A 78 -7.880 -3.287 -6.095 1.00 0.00 C ATOM 1265 O ARG A 78 -8.286 -2.152 -5.943 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.533 -5.522 -5.216 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.945 -5.154 -5.678 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.973 -5.875 -4.804 1.00 0.00 C ATOM 1269 NE ARG A 78 -12.004 -6.512 -5.672 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.903 -7.299 -5.146 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.532 -6.938 -4.061 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.173 -8.447 -5.705 1.00 0.00 N ATOM 0 H ARG A 78 -9.084 -2.996 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.692 -4.490 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.027 -6.102 -5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.582 -6.150 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.090 -4.076 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.081 -5.433 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.480 -6.631 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.444 -5.169 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.007 -6.333 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.321 -6.041 -3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.234 -7.553 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.682 -8.729 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.875 -9.062 -5.294 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.547 -3.735 -7.277 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.666 -2.841 -8.465 1.00 0.00 C ATOM 1288 C ILE A 79 -8.965 -3.138 -9.210 1.00 0.00 C ATOM 1289 O ILE A 79 -9.586 -4.164 -9.012 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.482 -3.059 -9.408 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.565 -4.450 -10.038 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.181 -2.938 -8.625 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.252 -4.747 -10.766 1.00 0.00 C ATOM 0 H ILE A 79 -7.200 -4.675 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.669 -1.806 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.510 -2.306 -10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.747 -5.201 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.401 -4.498 -10.735 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.336 -3.093 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.114 -1.944 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.160 -3.690 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.303 -5.737 -11.218 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.090 -4.001 -11.544 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.426 -4.715 -10.055 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.382 -2.245 -10.065 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.644 -2.475 -10.826 1.00 0.00 C ATOM 1307 C ASP A 80 -10.516 -3.762 -11.648 1.00 0.00 C ATOM 1308 O ASP A 80 -9.437 -4.115 -12.082 1.00 0.00 O ATOM 1309 CB ASP A 80 -10.902 -1.291 -11.759 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.098 -0.487 -11.246 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.382 -0.574 -10.062 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.709 0.203 -12.044 1.00 0.00 O ATOM 0 H ASP A 80 -8.905 -1.367 -10.270 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.477 -2.572 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.018 -0.655 -11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.097 -1.647 -12.770 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.627 -4.431 -11.825 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.686 -5.697 -12.579 1.00 0.00 C ATOM 1319 C PRO A 81 -11.666 -5.448 -14.092 1.00 0.00 C ATOM 1320 O PRO A 81 -10.968 -6.115 -14.829 1.00 0.00 O ATOM 1321 CB PRO A 81 -13.025 -6.305 -12.149 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.896 -5.130 -11.643 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.931 -3.985 -11.290 1.00 0.00 C ATOM 0 HA PRO A 81 -10.833 -6.345 -12.377 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.506 -6.814 -12.984 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.880 -7.047 -11.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.605 -4.816 -12.409 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.479 -5.428 -10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.246 -3.045 -11.742 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.885 -3.821 -10.213 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.435 -4.504 -14.565 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.462 -4.235 -16.033 1.00 0.00 C ATOM 1333 C ALA A 82 -11.399 -3.199 -16.399 1.00 0.00 C ATOM 1334 O ALA A 82 -11.350 -2.716 -17.513 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.844 -3.714 -16.431 1.00 0.00 C ATOM 0 H ALA A 82 -13.043 -3.910 -14.002 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.252 -5.161 -16.568 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.864 -3.517 -17.503 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.599 -4.461 -16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.055 -2.792 -15.889 1.00 0.00 H new ATOM 1341 N SER A 83 -10.536 -2.864 -15.482 1.00 0.00 N ATOM 1342 CA SER A 83 -9.469 -1.878 -15.793 1.00 0.00 C ATOM 1343 C SER A 83 -8.114 -2.560 -15.629 1.00 0.00 C ATOM 1344 O SER A 83 -7.091 -2.021 -15.996 1.00 0.00 O ATOM 1345 CB SER A 83 -9.555 -0.693 -14.827 1.00 0.00 C ATOM 1346 OG SER A 83 -10.919 -0.425 -14.528 1.00 0.00 O ATOM 0 H SER A 83 -10.525 -3.231 -14.531 1.00 0.00 H new ATOM 0 HA SER A 83 -9.591 -1.515 -16.814 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.008 -0.916 -13.911 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.089 0.187 -15.271 1.00 0.00 H new ATOM 0 HG SER A 83 -10.976 0.342 -13.921 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.105 -3.746 -15.074 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.821 -4.464 -14.862 1.00 0.00 C ATOM 1354 C GLU A 84 -6.098 -4.622 -16.191 1.00 0.00 C ATOM 1355 O GLU A 84 -4.933 -4.310 -16.302 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.101 -5.848 -14.269 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.787 -6.618 -14.123 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.084 -8.060 -13.701 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.708 -8.238 -12.667 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.683 -8.961 -14.419 1.00 0.00 O ATOM 0 H GLU A 84 -8.937 -4.246 -14.759 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.197 -3.892 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.585 -5.748 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.788 -6.398 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.241 -6.609 -15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.150 -6.135 -13.382 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.768 -5.089 -17.205 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.086 -5.244 -18.521 1.00 0.00 C ATOM 1369 C ALA A 85 -5.701 -3.860 -19.047 1.00 0.00 C ATOM 1370 O ALA A 85 -4.875 -3.727 -19.926 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.029 -5.928 -19.512 1.00 0.00 C ATOM 0 H ALA A 85 -7.749 -5.368 -17.183 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.191 -5.855 -18.403 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.528 -6.040 -20.473 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.307 -6.911 -19.131 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.926 -5.321 -19.639 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.292 -2.830 -18.507 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.958 -1.453 -18.967 1.00 0.00 C ATOM 1379 C LYS A 86 -4.845 -0.888 -18.087 1.00 0.00 C ATOM 1380 O LYS A 86 -3.838 -0.413 -18.575 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.198 -0.561 -18.863 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.000 0.696 -19.716 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.460 1.830 -18.841 1.00 0.00 C ATOM 1384 CE LYS A 86 -7.571 2.345 -17.924 1.00 0.00 C ATOM 1385 NZ LYS A 86 -8.823 2.533 -18.710 1.00 0.00 N ATOM 0 H LYS A 86 -6.992 -2.883 -17.767 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.626 -1.484 -20.005 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.080 -1.106 -19.200 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.373 -0.284 -17.823 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.306 0.489 -20.531 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.945 0.992 -20.170 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.619 1.474 -18.246 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.087 2.640 -19.468 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.742 1.638 -17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.271 3.288 -17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.414 3.257 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.584 2.839 -19.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.345 1.635 -18.751 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.014 -0.927 -16.791 1.00 0.00 N ATOM 1400 CA LEU A 87 -3.956 -0.382 -15.896 1.00 0.00 C ATOM 1401 C LEU A 87 -2.643 -1.107 -16.147 1.00 0.00 C ATOM 1402 O LEU A 87 -1.628 -0.507 -16.433 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.349 -0.547 -14.419 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.129 -1.847 -14.184 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.379 -2.726 -13.190 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.499 -1.519 -13.590 1.00 0.00 C ATOM 0 H LEU A 87 -5.833 -1.310 -16.318 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.841 0.680 -16.114 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.451 -0.544 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.955 0.303 -14.106 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.241 -2.367 -15.135 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.937 -3.648 -13.026 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.392 -2.965 -13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.271 -2.195 -12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.054 -2.442 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.369 -0.997 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.053 -0.883 -14.281 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.660 -2.392 -16.034 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.427 -3.181 -16.251 1.00 0.00 C ATOM 1420 C VAL A 88 -0.680 -2.710 -17.499 1.00 0.00 C ATOM 1421 O VAL A 88 0.528 -2.812 -17.583 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.820 -4.615 -16.474 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.447 -5.195 -15.206 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.820 -4.667 -17.627 1.00 0.00 C ATOM 0 H VAL A 88 -3.486 -2.941 -15.797 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.782 -3.061 -15.380 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.938 -5.208 -16.718 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.727 -6.234 -15.381 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.727 -5.146 -14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.334 -4.619 -14.943 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.117 -5.701 -17.804 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.699 -4.075 -17.373 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.358 -4.263 -18.528 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.381 -2.226 -18.482 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.692 -1.790 -19.731 1.00 0.00 C ATOM 1436 C GLU A 89 0.424 -0.814 -19.371 1.00 0.00 C ATOM 1437 O GLU A 89 1.510 -0.871 -19.913 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.697 -1.101 -20.657 1.00 0.00 C ATOM 1439 CG GLU A 89 -2.822 -2.079 -21.000 1.00 0.00 C ATOM 1440 CD GLU A 89 -3.597 -1.565 -22.214 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -4.200 -0.510 -22.103 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -3.576 -2.235 -23.233 1.00 0.00 O ATOM 0 H GLU A 89 -2.395 -2.113 -18.479 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.271 -2.657 -20.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.106 -0.214 -20.173 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.200 -0.767 -21.568 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.408 -3.065 -21.211 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.493 -2.190 -20.148 1.00 0.00 H new ATOM 1449 N GLN A 90 0.179 0.066 -18.447 1.00 0.00 N ATOM 1450 CA GLN A 90 1.242 1.024 -18.041 1.00 0.00 C ATOM 1451 C GLN A 90 2.052 0.412 -16.892 1.00 0.00 C ATOM 1452 O GLN A 90 3.063 0.945 -16.478 1.00 0.00 O ATOM 1453 CB GLN A 90 0.601 2.334 -17.579 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.193 2.948 -18.733 1.00 0.00 C ATOM 1455 CD GLN A 90 0.695 3.930 -19.498 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.723 5.106 -19.192 1.00 0.00 O ATOM 1457 NE2 GLN A 90 1.426 3.495 -20.487 1.00 0.00 N ATOM 0 H GLN A 90 -0.709 0.165 -17.955 1.00 0.00 H new ATOM 0 HA GLN A 90 1.899 1.227 -18.886 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.056 2.150 -16.729 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.370 3.029 -17.243 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.547 2.164 -19.402 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.075 3.462 -18.349 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.402 2.508 -20.743 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.022 4.142 -21.004 1.00 0.00 H new ATOM 1466 N ALA A 91 1.606 -0.703 -16.372 1.00 0.00 N ATOM 1467 CA ALA A 91 2.328 -1.355 -15.242 1.00 0.00 C ATOM 1468 C ALA A 91 3.505 -2.188 -15.759 1.00 0.00 C ATOM 1469 O ALA A 91 4.567 -2.204 -15.168 1.00 0.00 O ATOM 1470 CB ALA A 91 1.365 -2.259 -14.477 1.00 0.00 C ATOM 0 H ALA A 91 0.767 -1.192 -16.685 1.00 0.00 H new ATOM 0 HA ALA A 91 2.713 -0.578 -14.582 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.892 -2.736 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.540 -1.663 -14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.974 -3.024 -15.148 1.00 0.00 H new ATOM 1476 N PHE A 92 3.331 -2.886 -16.848 1.00 0.00 N ATOM 1477 CA PHE A 92 4.447 -3.721 -17.379 1.00 0.00 C ATOM 1478 C PHE A 92 5.373 -2.872 -18.254 1.00 0.00 C ATOM 1479 O PHE A 92 6.131 -3.389 -19.050 1.00 0.00 O ATOM 1480 CB PHE A 92 3.874 -4.868 -18.212 1.00 0.00 C ATOM 1481 CG PHE A 92 2.783 -5.565 -17.434 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.802 -5.550 -16.033 1.00 0.00 C ATOM 1483 CD2 PHE A 92 1.749 -6.224 -18.111 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.789 -6.194 -15.312 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.737 -6.867 -17.390 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.757 -6.852 -15.990 1.00 0.00 C ATOM 0 H PHE A 92 2.468 -2.915 -17.391 1.00 0.00 H new ATOM 0 HA PHE A 92 5.018 -4.122 -16.541 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.476 -4.485 -19.152 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.663 -5.576 -18.465 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.598 -5.042 -15.509 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.733 -6.236 -19.191 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.804 -6.183 -14.232 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.060 -7.375 -17.913 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.024 -7.348 -15.433 1.00 0.00 H new ATOM 1496 N ARG A 93 5.327 -1.576 -18.114 1.00 0.00 N ATOM 1497 CA ARG A 93 6.214 -0.710 -18.940 1.00 0.00 C ATOM 1498 C ARG A 93 6.040 0.749 -18.518 1.00 0.00 C ATOM 1499 O ARG A 93 5.149 1.437 -18.976 1.00 0.00 O ATOM 1500 CB ARG A 93 5.845 -0.861 -20.418 1.00 0.00 C ATOM 1501 CG ARG A 93 6.939 -0.231 -21.283 1.00 0.00 C ATOM 1502 CD ARG A 93 6.389 1.015 -21.978 1.00 0.00 C ATOM 1503 NE ARG A 93 7.485 2.008 -22.159 1.00 0.00 N ATOM 1504 CZ ARG A 93 8.489 1.736 -22.946 1.00 0.00 C ATOM 1505 NH1 ARG A 93 8.392 1.956 -24.229 1.00 0.00 N ATOM 1506 NH2 ARG A 93 9.591 1.243 -22.451 1.00 0.00 N ATOM 0 H ARG A 93 4.715 -1.080 -17.465 1.00 0.00 H new ATOM 0 HA ARG A 93 7.252 -1.010 -18.793 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.730 -1.915 -20.669 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.887 -0.380 -20.616 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.798 0.034 -20.666 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.289 -0.949 -22.025 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.963 0.747 -22.945 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.584 1.450 -21.385 1.00 0.00 H new ATOM 0 HE ARG A 93 7.450 2.901 -21.667 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.531 2.341 -24.617 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.178 1.743 -24.844 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.667 1.070 -21.449 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.376 1.030 -23.066 1.00 0.00 H new ATOM 1520 N LYS A 94 6.886 1.230 -17.646 1.00 0.00 N ATOM 1521 CA LYS A 94 6.768 2.646 -17.198 1.00 0.00 C ATOM 1522 C LYS A 94 7.805 3.501 -17.926 1.00 0.00 C ATOM 1523 O LYS A 94 7.476 4.461 -18.594 1.00 0.00 O ATOM 1524 CB LYS A 94 7.005 2.733 -15.689 1.00 0.00 C ATOM 1525 CG LYS A 94 6.873 4.190 -15.231 1.00 0.00 C ATOM 1526 CD LYS A 94 5.630 4.821 -15.866 1.00 0.00 C ATOM 1527 CE LYS A 94 5.007 5.822 -14.890 1.00 0.00 C ATOM 1528 NZ LYS A 94 4.168 6.792 -15.648 1.00 0.00 N ATOM 0 H LYS A 94 7.652 0.704 -17.226 1.00 0.00 H new ATOM 0 HA LYS A 94 5.767 3.012 -17.428 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.284 2.109 -15.161 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.997 2.353 -15.444 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.800 4.234 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.763 4.752 -15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.899 5.323 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.906 4.047 -16.120 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.400 5.298 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.789 6.349 -14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.826 7.533 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.736 7.226 -16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.356 6.295 -16.067 1.00 0.00 H new ATOM 1542 N ARG A 95 9.059 3.162 -17.800 1.00 0.00 N ATOM 1543 CA ARG A 95 10.117 3.957 -18.484 1.00 0.00 C ATOM 1544 C ARG A 95 11.023 3.018 -19.283 1.00 0.00 C ATOM 1545 O ARG A 95 10.768 1.834 -19.387 1.00 0.00 O ATOM 1546 CB ARG A 95 10.947 4.705 -17.440 1.00 0.00 C ATOM 1547 CG ARG A 95 10.048 5.118 -16.274 1.00 0.00 C ATOM 1548 CD ARG A 95 10.905 5.708 -15.152 1.00 0.00 C ATOM 1549 NE ARG A 95 10.960 7.190 -15.297 1.00 0.00 N ATOM 1550 CZ ARG A 95 12.093 7.819 -15.142 1.00 0.00 C ATOM 1551 NH1 ARG A 95 13.150 7.437 -15.805 1.00 0.00 N ATOM 1552 NH2 ARG A 95 12.168 8.834 -14.325 1.00 0.00 N ATOM 0 H ARG A 95 9.396 2.370 -17.253 1.00 0.00 H new ATOM 0 HA ARG A 95 9.653 4.675 -19.160 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.757 4.070 -17.081 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.407 5.586 -17.888 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.314 5.851 -16.609 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.492 4.255 -15.906 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.486 5.442 -14.182 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.911 5.290 -15.190 1.00 0.00 H new ATOM 0 HE ARG A 95 10.112 7.713 -15.517 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.092 6.646 -16.446 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.035 7.930 -15.683 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.342 9.135 -13.808 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.053 9.326 -14.203 1.00 0.00 H new ATOM 1566 N ARG A 96 12.080 3.533 -19.851 1.00 0.00 N ATOM 1567 CA ARG A 96 12.998 2.666 -20.644 1.00 0.00 C ATOM 1568 C ARG A 96 13.668 1.645 -19.719 1.00 0.00 C ATOM 1569 O ARG A 96 13.443 1.634 -18.525 1.00 0.00 O ATOM 1570 CB ARG A 96 14.072 3.532 -21.309 1.00 0.00 C ATOM 1571 CG ARG A 96 13.405 4.676 -22.075 1.00 0.00 C ATOM 1572 CD ARG A 96 13.877 4.658 -23.529 1.00 0.00 C ATOM 1573 NE ARG A 96 15.298 5.098 -23.596 1.00 0.00 N ATOM 1574 CZ ARG A 96 15.900 5.183 -24.751 1.00 0.00 C ATOM 1575 NH1 ARG A 96 15.875 4.172 -25.576 1.00 0.00 N ATOM 1576 NH2 ARG A 96 16.526 6.280 -25.081 1.00 0.00 N ATOM 0 H ARG A 96 12.347 4.516 -19.800 1.00 0.00 H new ATOM 0 HA ARG A 96 12.427 2.141 -21.410 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.750 3.932 -20.555 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.672 2.927 -21.988 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.321 4.573 -22.032 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.653 5.631 -21.612 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.776 3.655 -23.943 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.253 5.316 -24.133 1.00 0.00 H new ATOM 0 HE ARG A 96 15.801 5.333 -22.740 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.385 3.315 -25.318 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.345 4.239 -26.479 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.545 7.070 -24.436 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.997 6.347 -25.983 1.00 0.00 H new ATOM 1590 N GLN A 97 14.489 0.791 -20.263 1.00 0.00 N ATOM 1591 CA GLN A 97 15.174 -0.227 -19.417 1.00 0.00 C ATOM 1592 C GLN A 97 16.616 0.214 -19.161 1.00 0.00 C ATOM 1593 O GLN A 97 17.086 1.185 -19.719 1.00 0.00 O ATOM 1594 CB GLN A 97 15.176 -1.574 -20.142 1.00 0.00 C ATOM 1595 CG GLN A 97 14.645 -2.660 -19.205 1.00 0.00 C ATOM 1596 CD GLN A 97 15.444 -3.948 -19.410 1.00 0.00 C ATOM 1597 OE1 GLN A 97 16.286 -4.290 -18.603 1.00 0.00 O ATOM 1598 NE2 GLN A 97 15.216 -4.681 -20.466 1.00 0.00 N ATOM 0 H GLN A 97 14.716 0.753 -21.257 1.00 0.00 H new ATOM 0 HA GLN A 97 14.648 -0.326 -18.468 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.557 -1.518 -21.038 1.00 0.00 H new ATOM 0 HB3 GLN A 97 16.186 -1.822 -20.468 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.725 -2.331 -18.169 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.588 -2.840 -19.402 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.509 -4.394 -21.143 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.745 -5.541 -20.614 1.00 0.00 H new ATOM 1607 N ARG A 98 17.322 -0.493 -18.320 1.00 0.00 N ATOM 1608 CA ARG A 98 18.733 -0.112 -18.029 1.00 0.00 C ATOM 1609 C ARG A 98 19.678 -1.117 -18.691 1.00 0.00 C ATOM 1610 O ARG A 98 19.272 -1.921 -19.507 1.00 0.00 O ATOM 1611 CB ARG A 98 18.958 -0.118 -16.516 1.00 0.00 C ATOM 1612 CG ARG A 98 19.259 1.303 -16.037 1.00 0.00 C ATOM 1613 CD ARG A 98 18.681 1.504 -14.634 1.00 0.00 C ATOM 1614 NE ARG A 98 17.867 2.751 -14.608 1.00 0.00 N ATOM 1615 CZ ARG A 98 16.928 2.898 -13.713 1.00 0.00 C ATOM 1616 NH1 ARG A 98 16.907 2.131 -12.657 1.00 0.00 N ATOM 1617 NH2 ARG A 98 16.010 3.812 -13.874 1.00 0.00 N ATOM 0 H ARG A 98 16.983 -1.317 -17.823 1.00 0.00 H new ATOM 0 HA ARG A 98 18.931 0.885 -18.422 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.074 -0.504 -16.008 1.00 0.00 H new ATOM 0 HB3 ARG A 98 19.786 -0.781 -16.264 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.335 1.474 -16.026 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.828 2.029 -16.726 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.065 0.649 -14.357 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.487 1.567 -13.902 1.00 0.00 H new ATOM 0 HE ARG A 98 18.043 3.490 -15.289 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.624 1.417 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.173 2.246 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.026 4.411 -14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.276 3.927 -13.175 1.00 0.00 H new ATOM 1631 N GLY A 99 20.937 -1.080 -18.348 1.00 0.00 N ATOM 1632 CA GLY A 99 21.904 -2.034 -18.959 1.00 0.00 C ATOM 1633 C GLY A 99 22.849 -2.566 -17.880 1.00 0.00 C ATOM 1634 O GLY A 99 23.153 -1.890 -16.918 1.00 0.00 O ATOM 0 H GLY A 99 21.337 -0.430 -17.671 1.00 0.00 H new ATOM 0 HA2 GLY A 99 21.369 -2.860 -19.428 1.00 0.00 H new ATOM 0 HA3 GLY A 99 22.474 -1.537 -19.744 1.00 0.00 H new ATOM 1638 N VAL A 100 23.315 -3.776 -18.033 1.00 0.00 N ATOM 1639 CA VAL A 100 24.239 -4.354 -17.018 1.00 0.00 C ATOM 1640 C VAL A 100 25.665 -3.869 -17.285 1.00 0.00 C ATOM 1641 O VAL A 100 26.033 -3.583 -18.406 1.00 0.00 O ATOM 1642 CB VAL A 100 24.198 -5.881 -17.105 1.00 0.00 C ATOM 1643 CG1 VAL A 100 24.716 -6.328 -18.472 1.00 0.00 C ATOM 1644 CG2 VAL A 100 25.081 -6.476 -16.005 1.00 0.00 C ATOM 0 H VAL A 100 23.095 -4.389 -18.818 1.00 0.00 H new ATOM 0 HA VAL A 100 23.928 -4.035 -16.023 1.00 0.00 H new ATOM 0 HB VAL A 100 23.172 -6.226 -16.976 1.00 0.00 H new ATOM 0 HG11 VAL A 100 24.687 -7.416 -18.534 1.00 0.00 H new ATOM 0 HG12 VAL A 100 24.089 -5.903 -19.256 1.00 0.00 H new ATOM 0 HG13 VAL A 100 25.742 -5.984 -18.602 1.00 0.00 H new ATOM 0 HG21 VAL A 100 25.053 -7.564 -16.065 1.00 0.00 H new ATOM 0 HG22 VAL A 100 26.107 -6.131 -16.136 1.00 0.00 H new ATOM 0 HG23 VAL A 100 24.712 -6.157 -15.030 1.00 0.00 H new ATOM 1654 N SER A 101 26.471 -3.777 -16.263 1.00 0.00 N ATOM 1655 CA SER A 101 27.872 -3.311 -16.459 1.00 0.00 C ATOM 1656 C SER A 101 28.713 -3.697 -15.239 1.00 0.00 C ATOM 1657 O SER A 101 29.923 -3.559 -15.312 1.00 0.00 O ATOM 1658 CB SER A 101 27.889 -1.793 -16.628 1.00 0.00 C ATOM 1659 OG SER A 101 26.637 -1.260 -16.215 1.00 0.00 O ATOM 1660 OXT SER A 101 28.133 -4.122 -14.254 1.00 0.00 O ATOM 0 H SER A 101 26.220 -4.004 -15.301 1.00 0.00 H new ATOM 0 HA SER A 101 28.287 -3.779 -17.352 1.00 0.00 H new ATOM 0 HB2 SER A 101 28.695 -1.359 -16.036 1.00 0.00 H new ATOM 0 HB3 SER A 101 28.082 -1.534 -17.669 1.00 0.00 H new ATOM 0 HG SER A 101 26.645 -0.286 -16.321 1.00 0.00 H new TER 1666 SER A 101